#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fki n GLU 21 N 0.00 0.08 -2.27 -1.24 0.00 -1.26 -4.82 120.64 111.12 3fki n GLU 21 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 57.16 56.77 3fki n GLU 21 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 30.88 3fki n GLU 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3fki n SER 22 N -3.47 5.20 -4.93 4.31 7.64 -1.26 -3.04 113.62 118.07 3fki n SER 22 Ca -0.02 -3.10 -0.28 0.00 1.01 0.00 0.00 58.87 56.48 3fki n SER 22 Cb 0.07 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 61.76 3fki n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fki s ALA 23 N 0.45 3.91 0.81 -0.43 0.00 -1.26 -4.90 121.76 120.34 3fki s ALA 23 Ca 0.41 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 3fki s ALA 23 Cb 0.10 -1.91 0.06 0.00 0.00 0.00 0.00 23.12 21.38 3fki s ALA 23 CO -0.01 0.60 1.06 -2.30 0.00 0.00 0.00 175.76 175.11 3fki n PRO 24 N -0.29 0.17 -3.93 0.00 -0.02 -1.26 -2.92 135.00 126.75 3fki n PRO 24 Ca -0.05 0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 61.21 3fki n PRO 24 Cb 0.53 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 3fki n PRO 24 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3fki s ILE 25 N -2.11 4.88 0.38 4.25 1.01 -1.26 -4.79 121.20 123.57 3fki s ILE 25 Ca 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 61.27 3fki s ILE 25 Cb -0.29 -3.22 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 3fki s ILE 25 CO 0.53 0.44 0.73 0.28 0.00 0.00 0.00 174.94 176.92 3fki s THR 26 N 0.50 4.83 0.61 2.92 -1.32 -1.26 -4.57 115.64 117.36 3fki s THR 26 Ca 0.04 0.51 0.30 0.00 -1.21 0.00 0.00 61.69 61.33 3fki s THR 26 Cb -0.12 -3.73 0.36 0.00 -1.51 0.00 0.00 72.50 67.49 3fki s THR 26 CO 0.00 -0.49 2.05 0.00 -2.21 0.00 0.00 174.62 173.98 3fki h ALA 27 N 1.33 1.71 -0.44 11.08 0.00 -1.98 -0.85 119.26 130.11 3fki h ALA 27 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3fki h ALA 27 Cb 1.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3fki h ALA 27 CO 0.64 -0.36 0.04 1.49 0.00 0.00 0.00 179.25 181.06 3fki h GLU 28 N 0.00 0.75 -0.03 0.00 4.57 -2.00 -3.22 114.58 114.65 3fki h GLU 28 Ca 0.09 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 57.97 3fki h GLU 28 Cb 0.61 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3fki h GLU 28 CO -0.00 0.80 -0.33 -0.44 -1.18 0.00 0.00 179.01 177.85 3fki h ASP 29 N 0.60 0.05 0.41 1.04 3.32 -1.54 -3.16 116.42 117.14 3fki h ASP 29 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3fki h ASP 29 Cb 0.43 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3fki h ASP 29 CO 0.02 0.39 0.00 0.77 -1.72 0.00 0.00 179.24 178.69 3fki h SER 30 N 0.05 0.00 0.70 6.45 4.64 -1.56 -2.57 113.55 121.26 3fki h SER 30 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3fki h SER 30 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3fki h SER 30 CO 0.04 0.00 -0.13 -0.50 -0.87 0.00 0.00 176.83 175.37 3fki h TRP 31 N 0.00 0.00 0.00 4.77 4.06 -1.71 -2.41 115.95 120.66 3fki h TRP 31 Ca 0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 3fki h TRP 31 Cb 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 3fki h TRP 31 CO 0.00 0.13 -0.36 0.00 -3.56 0.00 0.00 178.44 174.65 3fki h ALA 32 N 1.87 1.07 -0.17 1.49 0.00 -1.69 -1.59 119.26 120.24 3fki h ALA 32 Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3fki h ALA 32 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fki h ALA 32 CO 0.02 0.45 -0.35 0.28 0.00 0.00 0.00 179.25 179.65 3fki h VAL 33 N 0.00 1.35 -0.29 0.00 2.07 -1.60 -2.44 116.25 115.34 3fki h VAL 33 Ca -0.00 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 3fki h VAL 33 Cb 0.82 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 3fki h VAL 33 CO 0.05 0.49 -0.06 0.40 0.02 0.00 0.00 177.57 178.46 3fki h ILE 34 N 0.18 1.20 -0.81 4.57 2.04 -1.50 -1.97 117.51 121.22 3fki h ILE 34 Ca 0.00 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 3fki h ILE 34 Cb 0.95 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3fki h ILE 34 CO 0.08 0.28 0.49 0.28 0.00 0.00 0.00 178.15 179.28 3fki h SER 35 N 0.44 0.97 0.78 1.72 0.02 -1.17 -2.43 113.55 113.87 3fki h SER 35 Ca 0.09 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 3fki h SER 35 Cb 0.39 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3fki h SER 35 CO 0.02 0.75 -0.64 0.00 -1.14 0.00 0.00 176.83 175.82 3fki h ALA 36 N 1.42 0.85 0.32 3.77 0.00 -0.93 -3.27 119.26 121.41 3fki h ALA 36 Ca 0.29 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3fki h ALA 36 Cb -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fki h ALA 36 CO -0.05 0.80 -0.18 0.35 0.00 0.00 0.00 179.25 180.16 3fki h PHE 37 N 0.00 -0.46 0.00 0.00 3.57 -0.87 -2.95 116.94 116.22 3fki h PHE 37 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3fki h PHE 37 Cb 1.20 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.10 3fki h PHE 37 CO 0.00 -0.28 0.00 0.74 -2.23 0.00 0.00 178.31 176.54 3fki h PHE 38 N -0.47 0.00 -0.58 0.41 -1.00 -1.63 -1.10 116.94 112.58 3fki h PHE 38 Ca -0.04 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 3fki h PHE 38 Cb 0.38 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 3fki h PHE 38 CO -0.08 0.00 0.05 0.00 -1.61 0.00 0.00 178.31 176.67 3fki h ARG 39 N 0.00 0.99 0.07 1.51 3.08 -1.57 -2.54 114.38 115.92 3fki h ARG 39 Ca 0.00 -0.29 -0.35 0.00 0.07 0.00 0.00 59.98 59.41 3fki h ARG 39 Cb 0.47 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3fki h ARG 39 CO 0.00 0.96 -1.99 -1.91 -1.07 0.00 0.00 179.97 175.96 3fki n GLU 40 N -4.27 0.69 0.00 0.04 2.13 -1.11 -4.77 120.64 113.34 3fki n GLU 40 Ca 0.02 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3fki n GLU 40 Cb 0.31 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.35 3fki n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3fki n LYS 41 N -3.69 0.00 -0.80 5.31 4.76 -0.43 -5.06 118.16 118.25 3fki n LYS 41 Ca -0.37 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 3fki n LYS 41 Cb 0.95 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 3fki n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fki n GLY 42 N 2.37 0.16 5.55 0.72 0.00 -0.96 -4.13 105.19 108.91 3fki n GLY 42 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3fki n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fki n LEU 43 N -0.47 0.00 0.30 0.99 4.32 -1.26 -1.78 117.00 119.09 3fki n LEU 43 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.17 3fki n LEU 43 Cb 0.21 0.00 0.91 0.00 -1.62 0.00 0.00 43.42 42.91 3fki n LEU 43 CO 0.00 0.00 1.07 -0.37 -1.22 0.00 0.00 177.39 176.87 3fki h VAL 44 N 0.00 0.13 0.00 4.08 -1.51 -1.93 -3.40 116.25 113.62 3fki h VAL 44 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3fki h VAL 44 Cb 0.00 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 3fki h VAL 44 CO 0.00 0.03 0.00 -1.54 -1.23 0.00 0.00 177.57 174.83 3fki n SER 45 N -3.22 0.00 -0.17 4.19 3.41 -0.74 0.81 113.62 117.90 3fki n SER 45 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 3fki n SER 45 Cb 0.20 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.59 3fki n SER 45 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3fki h GLN 46 N 0.00 0.53 -0.31 4.33 -0.00 -1.91 -0.67 115.11 117.08 3fki h GLN 46 Ca 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 3fki h GLN 46 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.35 3fki h GLN 46 CO 0.00 0.35 0.06 1.96 -0.00 0.00 0.00 178.83 181.20 3fki h GLN 47 N 0.55 0.50 -0.42 0.06 1.08 0.04 -2.46 115.11 114.47 3fki h GLN 47 Ca 0.35 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.36 3fki h GLN 47 Cb 0.62 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 3fki h GLN 47 CO -0.12 0.58 0.03 -0.07 -0.95 0.00 0.00 178.83 178.30 3fki h LEU 48 N 0.33 0.70 -0.67 1.46 3.38 -1.39 -3.16 115.31 115.96 3fki h LEU 48 Ca 0.09 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3fki h LEU 48 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fki h LEU 48 CO 0.00 0.81 0.02 0.44 0.09 0.00 0.00 178.44 179.81 3fki h ASP 49 N 0.56 1.02 -0.09 -0.43 3.32 -1.15 -1.87 116.42 117.78 3fki h ASP 49 Ca 0.12 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3fki h ASP 49 Cb 0.44 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3fki h ASP 49 CO 0.02 1.06 -0.22 -1.28 -1.72 0.00 0.00 179.24 177.10 3fki h SER 50 N 0.97 0.50 0.13 6.45 0.87 -1.48 -2.08 113.55 118.90 3fki h SER 50 Ca 0.18 -0.16 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 3fki h SER 50 Cb 0.52 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3fki h SER 50 CO 0.03 0.73 -0.70 0.15 -0.53 0.00 0.00 176.83 176.50 3fki h PHE 51 N 0.45 0.68 -0.52 2.24 3.57 -1.49 -3.06 116.94 118.81 3fki h PHE 51 Ca 0.07 -0.29 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 3fki h PHE 51 Cb 0.63 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3fki h PHE 51 CO 0.02 1.05 0.07 -0.91 -2.23 0.00 0.00 178.31 176.31 3fki h ASN 52 N 0.36 0.83 1.00 0.41 2.35 -1.01 -2.75 115.58 116.77 3fki h ASN 52 Ca -0.03 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.40 3fki h ASN 52 Cb 1.28 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 3fki h ASN 52 CO 0.13 0.89 -0.27 -0.61 -1.65 0.00 0.00 177.43 175.92 3fki h GLN 53 N 0.74 0.00 -0.18 0.81 5.75 -1.47 -2.19 115.11 118.57 3fki h GLN 53 Ca 0.15 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 3fki h GLN 53 Cb 0.42 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 3fki h GLN 53 CO 0.01 0.27 -0.05 0.35 -2.65 0.00 0.00 178.83 176.77 3fki h PHE 54 N 0.00 0.40 0.00 3.99 3.57 -1.40 -2.16 116.94 121.33 3fki h PHE 54 Ca -0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 3fki h PHE 54 Cb 0.84 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3fki h PHE 54 CO 0.00 0.62 -0.00 0.28 -2.23 0.00 0.00 178.31 176.98 3fki h VAL 55 N 0.06 1.62 -0.27 1.41 2.07 -1.43 0.41 116.25 120.13 3fki h VAL 55 Ca 0.04 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.62 3fki h VAL 55 Cb 0.50 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3fki h VAL 55 CO 0.02 0.48 -0.31 0.44 0.02 0.00 0.00 177.57 178.21 3fki h ASP 56 N -0.78 0.58 0.00 0.57 5.19 -1.54 -3.37 116.42 117.07 3fki h ASP 56 Ca -0.00 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3fki h ASP 56 Cb 0.78 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 3fki h ASP 56 CO 0.00 0.86 -0.54 -1.22 -3.12 0.00 0.00 179.24 175.22 3fki n TYR 57 N -4.08 0.00 -0.11 4.55 4.02 -1.04 -4.80 117.16 115.70 3fki n TYR 57 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.80 3fki n TYR 57 Cb 0.46 -0.03 0.08 0.00 -0.02 0.00 0.00 39.34 39.82 3fki n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3fki h THR 58 N -0.04 1.27 -0.68 -0.72 2.02 -1.05 -2.81 112.91 110.90 3fki h THR 58 Ca -0.01 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 3fki h THR 58 Cb 0.52 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3fki h THR 58 CO -0.01 0.44 0.41 0.25 0.37 0.00 0.00 175.52 176.99 3fki h LEU 59 N 0.74 0.81 -0.36 2.58 5.85 -0.34 0.54 115.31 125.13 3fki h LEU 59 Ca 0.11 -0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 3fki h LEU 59 Cb 0.70 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3fki h LEU 59 CO 0.05 0.62 -0.75 -0.61 -0.34 0.00 0.00 178.44 177.42 3fki h GLN 60 N 0.94 0.45 0.00 1.25 5.75 -1.77 -2.78 115.11 118.96 3fki h GLN 60 Ca 0.25 -0.37 -0.13 0.00 -0.15 0.00 0.00 58.65 58.24 3fki h GLN 60 Cb -0.04 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3fki h GLN 60 CO -0.05 1.01 -0.63 -0.44 -2.65 0.00 0.00 178.83 176.07 3fki h ASP 61 N 0.30 0.00 0.24 -0.69 3.32 -1.09 -2.89 116.42 115.62 3fki h ASP 61 Ca -0.04 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 3fki h ASP 61 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 3fki h ASP 61 CO 0.13 0.63 -0.70 0.40 -1.72 0.00 0.00 179.24 177.98 3fki h ILE 62 N 0.00 1.37 0.00 0.35 2.04 -0.96 -3.22 117.51 117.09 3fki h ILE 62 Ca -0.01 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3fki h ILE 62 Cb 1.13 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3fki h ILE 62 CO 0.08 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.86 3fki n ILE 63 N -3.85 0.61 -3.73 -0.67 0.13 -1.05 -4.27 119.36 106.53 3fki n ILE 63 Ca -0.04 0.15 -0.29 0.00 -1.10 0.00 0.00 62.75 61.47 3fki n ILE 63 Cb 0.69 -0.81 -0.13 0.00 -0.84 0.00 0.00 39.64 38.55 3fki n ILE 63 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3fki n GLU 65 N 3.41 0.00 -1.70 0.00 0.28 -1.26 -4.91 120.64 116.46 3fki n GLU 65 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.99 3fki n GLU 65 Cb 0.35 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.29 3fki n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fki n ASP 66 N -3.08 3.35 -2.22 -1.84 5.75 -1.26 -4.84 116.55 112.42 3fki n ASP 66 Ca 0.00 -3.46 -0.27 0.00 -0.01 0.00 0.00 54.79 51.06 3fki n ASP 66 Cb 0.00 -0.41 0.15 0.00 -1.03 0.00 0.00 41.12 39.83 3fki n ASP 66 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3fki n SER 67 N -0.73 5.01 -4.05 -1.12 3.41 -1.26 -4.88 113.62 110.00 3fki n SER 67 Ca 0.30 -3.68 -0.28 0.00 -0.26 0.00 0.00 58.87 54.95 3fki n SER 67 Cb 0.88 -0.87 -0.17 0.00 -0.26 0.00 0.00 64.21 63.80 3fki n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fki s THR 68 N -3.82 1.47 0.23 6.66 2.01 -1.26 -2.70 115.64 118.23 3fki s THR 68 Ca 0.59 -0.63 0.11 0.00 0.31 0.00 0.00 61.69 62.08 3fki s THR 68 Cb 0.49 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3fki s THR 68 CO 0.07 0.43 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.47 3fki s LEU 69 N 0.96 2.57 -0.04 4.42 2.01 -0.55 -5.01 118.68 123.03 3fki s LEU 69 Ca -0.07 -0.90 -0.30 0.00 0.01 0.00 0.00 54.13 52.87 3fki s LEU 69 Cb -0.15 -1.21 -0.03 0.00 0.01 0.00 0.00 46.19 44.81 3fki s LEU 69 CO -0.01 0.08 1.18 -0.63 1.01 0.00 0.00 176.35 177.99 3fki s ILE 70 N -2.04 4.27 -0.24 -0.59 1.09 -1.26 -2.87 121.20 119.56 3fki s ILE 70 Ca 0.25 1.60 -0.29 0.00 -1.10 0.00 0.00 60.65 61.11 3fki s ILE 70 Cb -0.07 -4.03 -0.01 0.00 -1.06 0.00 0.00 42.46 37.30 3fki s ILE 70 CO 0.13 0.02 1.36 -0.76 -0.10 0.00 0.00 174.94 175.58 3fki s LEU 71 N 2.01 3.98 0.00 2.97 1.02 -1.26 -5.12 118.68 122.29 3fki s LEU 71 Ca 0.56 1.45 0.00 0.00 0.02 0.00 0.00 54.13 56.16 3fki s LEU 71 Cb -0.25 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.42 3fki s LEU 71 CO 0.23 -1.01 0.00 -0.38 0.02 0.00 0.00 176.35 175.21 3fki n ILE 90 N 5.98 0.00 -4.52 -0.59 5.41 -1.14 -5.13 119.36 119.37 3fki n ILE 90 Ca 0.15 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.65 3fki n ILE 90 Cb 0.46 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.28 3fki n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3fki s SER 91 N 0.00 3.50 0.01 4.38 1.04 -1.25 -1.49 113.70 119.89 3fki s SER 91 Ca 0.00 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.24 3fki s SER 91 Cb 0.00 -0.31 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 3fki s SER 91 CO 0.00 -0.27 -0.06 -0.36 0.98 0.00 0.00 173.24 173.53 3fki s PHE 92 N -2.73 2.90 0.00 5.02 0.40 -1.10 -0.74 117.98 121.74 3fki s PHE 92 Ca 0.32 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 3fki s PHE 92 Cb 0.04 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.96 3fki s PHE 92 CO 0.16 0.38 0.00 0.41 0.70 0.00 0.00 175.22 176.87 3fki n GLY 93 N 1.52 3.31 3.77 4.36 0.00 0.76 -4.90 105.19 114.00 3fki n GLY 93 Ca -0.15 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 3fki n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fki s LYS 94 N 4.91 4.39 -0.17 1.61 2.20 -1.26 -4.63 119.74 126.79 3fki s LYS 94 Ca 0.00 1.66 -0.07 0.00 -0.36 0.00 0.00 55.97 57.20 3fki s LYS 94 Cb 0.00 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 3fki s LYS 94 CO 0.00 0.02 0.06 -1.50 -0.36 0.00 0.00 175.35 173.58 3fki s ILE 95 N -1.41 4.81 -0.07 5.43 2.07 -1.26 -1.41 121.20 129.35 3fki s ILE 95 Ca 0.51 -0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.68 3fki s ILE 95 Cb -0.27 -3.15 -0.04 0.00 0.13 0.00 0.00 42.46 39.13 3fki s ILE 95 CO 0.34 0.48 0.12 -0.31 -1.91 0.00 0.00 174.94 173.67 3fki s TYR 96 N 0.17 3.48 -0.11 3.50 1.51 0.25 -4.96 117.35 121.18 3fki s TYR 96 Ca 0.05 0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.52 3fki s TYR 96 Cb -0.12 -1.86 0.01 0.00 -0.11 0.00 0.00 41.96 39.88 3fki s TYR 96 CO 0.00 0.65 -0.16 0.54 -1.11 0.00 0.00 175.55 175.48 3fki s VAL 97 N -1.10 1.56 0.65 0.71 0.11 -1.26 -0.47 120.40 120.59 3fki s VAL 97 Ca 0.19 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.54 3fki s VAL 97 Cb -0.12 -1.42 0.13 0.00 -1.53 0.00 0.00 36.38 33.45 3fki s VAL 97 CO 0.09 0.45 0.89 0.35 -3.33 0.00 0.00 175.10 173.55 3fki n THR 98 N 4.19 0.00 -3.57 5.04 -2.24 -1.06 -5.06 114.28 111.57 3fki n THR 98 Ca -0.19 -1.29 -0.35 0.00 -2.27 0.00 0.00 64.05 59.95 3fki n THR 98 Cb 0.51 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 3fki n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3fki s LYS 99 N -4.81 3.77 -0.39 -0.78 1.02 -1.26 -4.66 119.74 112.63 3fki s LYS 99 Ca 0.58 0.20 -0.36 0.00 0.02 0.00 0.00 55.97 56.40 3fki s LYS 99 Cb -0.03 -3.03 -0.15 0.00 -0.52 0.00 0.00 37.83 34.09 3fki s LYS 99 CO 0.39 0.59 1.25 -2.30 -0.92 0.00 0.00 175.35 174.35 3fki n PRO 100 N 1.06 0.00 -4.12 -1.68 -0.02 -1.26 -4.76 135.00 124.22 3fki n PRO 100 Ca -0.09 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.30 3fki n PRO 100 Cb 0.52 -1.16 -0.10 0.00 -0.02 0.00 0.00 33.50 32.74 3fki n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3fki s MET 101 N 2.41 0.74 -0.18 -0.52 -1.94 -1.07 -1.90 119.30 116.84 3fki s MET 101 Ca 0.82 -1.30 0.01 0.00 -1.71 0.00 0.00 55.69 53.51 3fki s MET 101 Cb -1.16 0.11 0.02 0.00 2.01 0.00 0.00 34.83 35.82 3fki s MET 101 CO 0.63 -0.12 -0.18 0.08 -0.01 0.00 0.00 175.02 175.42 3fki s VAL 102 N -3.87 1.99 -1.07 -6.03 1.01 -0.93 -4.70 120.40 106.79 3fki s VAL 102 Ca 0.12 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3fki s VAL 102 Cb 0.07 -1.83 0.27 0.00 0.00 0.00 0.00 36.38 34.89 3fki s VAL 102 CO -0.06 0.48 1.05 0.20 0.00 0.00 0.00 175.10 176.76 3fki s ASN 103 N 1.31 7.14 0.43 3.32 0.02 -1.26 -2.87 114.94 123.03 3fki s ASN 103 Ca 0.04 -3.54 0.01 0.00 -1.02 0.00 0.00 52.86 48.35 3fki s ASN 103 Cb -0.14 -2.18 -0.01 0.00 0.02 0.00 0.00 41.25 38.95 3fki s ASN 103 CO -0.12 -0.30 0.64 -1.83 0.02 0.00 0.00 177.10 175.51 3fki s GLU 104 N -1.16 3.15 0.57 -0.60 -1.05 -1.26 -5.09 118.70 113.26 3fki s GLU 104 Ca 0.29 -0.48 -0.17 0.00 -0.15 0.00 0.00 54.97 54.47 3fki s GLU 104 Cb -0.10 -2.59 -0.05 0.00 -0.44 0.00 0.00 34.13 30.96 3fki s GLU 104 CO -0.08 -0.18 1.05 -1.54 0.95 0.00 0.00 175.26 175.46 3fki s SER 105 N -4.18 5.92 0.00 0.83 1.04 -1.24 -3.99 113.70 112.07 3fki s SER 105 Ca 0.47 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.73 3fki s SER 105 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3fki s SER 105 CO 0.37 -1.07 0.00 0.47 0.98 0.00 0.00 173.24 173.99 3fki n ASP 106 N -1.82 0.00 -3.50 7.02 8.00 -1.26 -4.88 116.55 120.11 3fki n ASP 106 Ca 0.09 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.38 3fki n ASP 106 Cb 0.53 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.77 3fki n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fki n GLY 107 N 0.00 -1.04 0.00 0.44 0.00 -1.26 -5.12 105.19 98.21 3fki n GLY 107 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3fki n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fki n VAL 108 N -3.21 0.00 -3.69 1.61 0.31 -1.26 -4.76 118.33 107.32 3fki n VAL 108 Ca 0.12 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.18 3fki n VAL 108 Cb 0.43 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.19 3fki n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fki s THR 109 N 2.51 0.31 -0.06 2.52 2.01 -1.26 -4.04 115.64 117.63 3fki s THR 109 Ca 0.00 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 3fki s THR 109 Cb 0.00 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 3fki s THR 109 CO 0.00 -0.22 0.44 -2.28 -0.69 0.00 0.00 174.62 171.88 3fki s HIS 110 N 1.96 3.62 -0.61 4.92 5.04 -1.14 -4.87 115.29 124.20 3fki s HIS 110 Ca 0.00 0.94 -0.27 0.00 -1.54 0.00 0.00 55.06 54.19 3fki s HIS 110 Cb -0.17 -2.43 -0.01 0.00 0.04 0.00 0.00 32.58 30.01 3fki s HIS 110 CO -0.08 0.39 1.78 0.00 -2.34 0.00 0.00 174.74 174.49 3fki s ALA 111 N -0.18 2.28 0.55 1.58 0.00 -1.26 -2.20 121.76 122.53 3fki s ALA 111 Ca 0.25 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 3fki s ALA 111 Cb -0.16 -4.28 -0.05 0.00 0.00 0.00 0.00 23.12 18.63 3fki s ALA 111 CO 0.12 -3.75 1.07 -1.17 0.00 0.00 0.00 175.76 172.03 3fki s LEU 112 N 8.52 3.66 0.09 0.00 2.96 -0.80 -5.02 118.68 128.10 3fki s LEU 112 Ca 0.64 1.94 0.02 0.00 -0.22 0.00 0.00 54.13 56.51 3fki s LEU 112 Cb -0.12 -4.55 -0.04 0.00 0.50 0.00 0.00 46.19 41.97 3fki s LEU 112 CO 0.21 -1.09 -0.07 -0.31 -1.32 0.00 0.00 176.35 173.76 3fki s TYR 113 N -2.15 0.90 0.15 5.38 1.51 -1.26 -4.84 117.35 117.04 3fki s TYR 113 Ca 0.67 -0.81 -0.27 0.00 -1.01 0.00 0.00 57.07 55.65 3fki s TYR 113 Cb -0.18 -0.52 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 3fki s TYR 113 CO 0.30 -0.10 1.58 -1.35 -1.11 0.00 0.00 175.55 174.86 3fki h PRO 114 N 3.26 -0.35 0.00 -1.71 0.11 -1.98 -1.56 132.00 129.77 3fki h PRO 114 Ca -0.36 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 3fki h PRO 114 Cb 1.18 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3fki h PRO 114 CO 0.59 -0.23 -0.30 0.37 -0.21 0.00 0.00 178.00 178.22 3fki h GLN 115 N -0.37 0.00 0.00 1.05 5.75 -1.89 -2.54 115.11 117.12 3fki h GLN 115 Ca 0.12 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3fki h GLN 115 Cb 0.59 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3fki h GLN 115 CO -0.53 0.30 -0.19 1.49 -2.65 0.00 0.00 178.83 177.26 3fki h GLU 116 N 0.00 0.00 0.07 1.69 4.57 -1.68 -3.24 114.58 115.99 3fki h GLU 116 Ca -0.00 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.81 3fki h GLU 116 Cb 0.94 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 3fki h GLU 116 CO 0.04 0.19 -2.09 0.00 -1.18 0.00 0.00 179.01 175.97 3fki n ALA 117 N -2.41 1.05 -0.20 2.92 0.00 -0.67 -4.12 120.51 117.09 3fki n ALA 117 Ca -0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 53.44 52.65 3fki n ALA 117 Cb 0.27 -0.45 0.19 0.00 0.00 0.00 0.00 19.45 19.46 3fki n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fki h ARG 118 N -0.14 0.97 0.00 0.00 3.08 -1.53 -1.19 114.38 115.57 3fki h ARG 118 Ca -0.48 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.32 3fki h ARG 118 Cb 1.89 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.74 3fki h ARG 118 CO -0.03 0.74 -0.62 -0.07 -1.07 0.00 0.00 179.97 178.93 3fki h LEU 119 N 0.96 0.00 -1.29 3.04 3.38 -1.78 -3.23 115.31 116.38 3fki h LEU 119 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fki h LEU 119 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3fki h LEU 119 CO -0.03 0.62 0.00 0.54 0.09 0.00 0.00 178.44 179.66 3fki n ARG 120 N -3.61 1.86 -3.71 1.13 1.74 -0.83 -4.95 116.66 108.29 3fki n ARG 120 Ca -0.00 -1.28 -0.23 0.00 -0.77 0.00 0.00 57.85 55.56 3fki n ARG 120 Cb 0.66 -1.43 0.03 0.00 -1.02 0.00 0.00 32.46 30.69 3fki n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fki n ASN 121 N 0.52 -1.93 -4.71 0.55 4.13 -0.86 -4.86 115.26 108.09 3fki n ASN 121 Ca 0.17 -0.87 -0.25 0.00 1.68 0.00 0.00 54.58 55.31 3fki n ASN 121 Cb 0.39 -3.89 -0.08 0.00 -1.54 0.00 0.00 39.78 34.66 3fki n ASN 121 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3fki s LEU 122 N -6.61 3.07 -0.16 3.41 1.43 -0.51 -4.08 118.68 115.23 3fki s LEU 122 Ca 0.09 -1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 51.98 3fki s LEU 122 Cb -0.03 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 3fki s LEU 122 CO 0.83 -0.49 0.16 -0.89 0.23 0.00 0.00 176.35 176.18 3fki s THR 123 N -2.61 5.42 -1.36 5.49 2.01 -1.26 -1.72 115.64 121.61 3fki s THR 123 Ca 0.39 0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 3fki s THR 123 Cb 0.04 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 3fki s THR 123 CO 0.21 0.50 2.57 0.00 -0.69 0.00 0.00 174.62 177.21 3fki n TYR 124 N 2.94 2.28 -4.17 4.92 9.36 -0.33 -4.91 117.16 127.25 3fki n TYR 124 Ca -0.17 -2.70 -0.28 0.00 3.32 0.00 0.00 57.90 58.07 3fki n TYR 124 Cb 0.53 -2.24 -0.08 0.00 -0.63 0.00 0.00 39.34 36.92 3fki n TYR 124 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3fki s SER 125 N 2.83 4.87 0.34 2.98 1.04 -1.26 -1.18 113.70 123.31 3fki s SER 125 Ca 0.58 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.74 3fki s SER 125 Cb 0.15 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.13 3fki s SER 125 CO -0.05 0.13 0.08 -0.55 0.98 0.00 0.00 173.24 173.83 3fki s SER 126 N -2.66 2.33 0.06 7.02 0.15 -0.98 -2.59 113.70 117.03 3fki s SER 126 Ca 0.26 -1.45 -0.19 0.00 0.70 0.00 0.00 55.95 55.27 3fki s SER 126 Cb -0.10 0.10 -0.07 0.00 -1.71 0.00 0.00 66.02 64.24 3fki s SER 126 CO 0.18 -0.71 0.57 -0.83 1.20 0.00 0.00 173.24 173.65 3fki s GLY 127 N -3.50 2.66 -0.23 9.45 0.00 -1.26 -2.08 107.32 112.35 3fki s GLY 127 Ca 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 44.72 45.01 3fki s GLY 127 CO 0.15 0.48 0.04 1.08 0.00 0.00 0.00 173.10 174.85 3fki s LEU 128 N -1.01 3.34 -0.26 0.66 1.02 -1.17 -2.57 118.68 118.68 3fki s LEU 128 Ca 0.29 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.21 3fki s LEU 128 Cb -0.19 -1.88 0.04 0.00 0.02 0.00 0.00 46.19 44.18 3fki s LEU 128 CO 0.19 -0.01 -0.08 -0.36 0.02 0.00 0.00 176.35 176.11 3fki s PHE 129 N 1.46 3.15 -0.14 0.29 0.08 0.38 -0.62 117.98 122.58 3fki s PHE 129 Ca 0.05 -1.89 -0.05 0.00 0.12 0.00 0.00 56.93 55.16 3fki s PHE 129 Cb -0.15 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3fki s PHE 129 CO 0.02 -0.80 0.05 0.08 -0.10 0.00 0.00 175.22 174.46 3fki s VAL 130 N 1.23 4.66 -0.63 -0.44 1.01 -0.94 0.84 120.40 126.13 3fki s VAL 130 Ca -0.04 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 3fki s VAL 130 Cb -0.18 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 3fki s VAL 130 CO -0.05 0.54 1.70 -1.81 0.00 0.00 0.00 175.10 175.47 3fki s ASP 131 N -0.25 5.55 -0.31 3.32 1.01 -0.50 -3.22 116.67 122.27 3fki s ASP 131 Ca 0.07 0.18 -0.29 0.00 0.71 0.00 0.00 52.55 53.22 3fki s ASP 131 Cb -0.12 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.29 3fki s ASP 131 CO 0.02 -2.19 1.08 -0.69 0.21 0.00 0.00 175.17 173.59 3fki s VAL 132 N 8.05 4.52 -0.19 -1.27 1.01 -1.26 -0.17 120.40 131.09 3fki s VAL 132 Ca 0.59 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 64.04 3fki s VAL 132 Cb -0.12 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 3fki s VAL 132 CO 0.20 -0.44 1.44 -0.54 0.00 0.00 0.00 175.10 175.76 3fki s LYS 133 N 3.61 4.03 0.00 2.72 -0.14 0.08 -4.97 119.74 125.07 3fki s LYS 133 Ca 0.46 1.66 0.21 0.00 -1.36 0.00 0.00 55.97 56.93 3fki s LYS 133 Cb -0.13 -3.91 1.16 0.00 -1.68 0.00 0.00 37.83 33.28 3fki s LYS 133 CO 0.14 -0.99 1.65 0.36 -0.76 0.00 0.00 175.35 175.75 3fki n LYS 134 N 7.16 0.49 0.00 1.68 2.85 -1.26 -3.78 118.16 125.30 3fki n LYS 134 Ca 0.16 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 3fki n LYS 134 Cb 0.45 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 3fki n LYS 134 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3fki n LYS 164 N -1.13 0.00 -4.52 -1.58 4.81 -1.25 -4.78 118.16 109.71 3fki n LYS 164 Ca 0.13 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.23 3fki n LYS 164 Cb 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.05 3fki n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3fki s VAL 165 N -1.47 3.80 -0.23 3.15 1.01 -1.20 -4.99 120.40 120.47 3fki s VAL 165 Ca 0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 3fki s VAL 165 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3fki s VAL 165 CO 0.00 0.55 0.99 0.12 0.00 0.00 0.00 175.10 176.77 3fki s PHE 166 N -0.25 3.34 -0.26 5.22 5.36 -1.26 -2.21 117.98 127.92 3fki s PHE 166 Ca 0.04 1.41 -0.01 0.00 -0.96 0.00 0.00 56.93 57.40 3fki s PHE 166 Cb -0.13 -3.22 0.08 0.00 -0.34 0.00 0.00 43.02 39.41 3fki s PHE 166 CO 0.02 -0.45 0.05 0.42 -1.46 0.00 0.00 175.22 173.81 3fki s ILE 167 N 3.05 0.84 0.22 3.12 1.09 0.21 -4.83 121.20 124.92 3fki s ILE 167 Ca 0.42 -1.06 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 3fki s ILE 167 Cb -0.15 -1.45 0.00 0.00 -1.06 0.00 0.00 42.46 39.80 3fki s ILE 167 CO 0.07 -0.41 0.00 0.61 -0.10 0.00 0.00 174.94 175.10 3fki n GLY 168 N 4.90 -2.09 3.01 6.18 0.00 -1.23 -3.94 105.19 112.02 3fki n GLY 168 Ca -0.06 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 3fki n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fki s ARG 169 N -2.33 1.25 -0.23 1.61 0.52 -1.26 -3.03 118.95 115.47 3fki s ARG 169 Ca 0.00 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 3fki s ARG 169 Cb 0.00 -1.12 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 3fki s ARG 169 CO 0.00 0.09 -0.01 -1.17 0.02 0.00 0.00 175.30 174.22 3fki s LEU 170 N 0.37 3.09 0.11 2.53 2.96 -0.89 -4.40 118.68 122.46 3fki s LEU 170 Ca -0.07 -0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 53.10 3fki s LEU 170 Cb -0.12 -1.77 -0.10 0.00 0.50 0.00 0.00 46.19 44.70 3fki s LEU 170 CO 0.02 -0.05 1.78 -2.84 -1.32 0.00 0.00 176.35 173.94 3fki s PRO 171 N 1.49 4.15 -0.13 0.98 0.02 -1.26 -2.33 135.00 137.92 3fki s PRO 171 Ca 0.05 2.53 -0.06 0.00 0.02 0.00 0.00 61.00 63.55 3fki s PRO 171 Cb -0.15 -3.58 -0.04 0.00 0.02 0.00 0.00 34.50 30.75 3fki s PRO 171 CO -0.02 -0.81 0.08 0.42 -0.33 0.00 0.00 177.00 176.33 3fki s ILE 172 N 2.67 4.95 0.27 2.83 1.01 -0.33 -4.97 121.20 127.62 3fki s ILE 172 Ca 0.79 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 3fki s ILE 172 Cb -0.45 -3.16 -0.10 0.00 0.01 0.00 0.00 42.46 38.76 3fki s ILE 172 CO 0.35 0.56 1.36 -0.32 0.00 0.00 0.00 174.94 176.89 3fki s MET 173 N -0.48 4.33 0.49 2.79 -2.45 -1.26 -4.65 119.30 118.06 3fki s MET 173 Ca 0.10 2.21 -0.22 0.00 -1.25 0.00 0.00 55.69 56.54 3fki s MET 173 Cb -0.12 -3.12 -0.07 0.00 1.25 0.00 0.00 34.83 32.78 3fki s MET 173 CO 0.02 -0.30 1.16 -0.51 1.05 0.00 0.00 175.02 176.44 3fki s LEU 174 N -0.82 3.93 -0.79 4.11 1.02 -1.04 -3.32 118.68 121.78 3fki s LEU 174 Ca 0.55 2.28 0.00 0.00 0.02 0.00 0.00 54.13 56.98 3fki s LEU 174 Cb -0.40 -4.34 0.00 0.00 0.02 0.00 0.00 46.19 41.47 3fki s LEU 174 CO 0.45 -1.02 0.00 -1.14 0.02 0.00 0.00 176.35 174.66 3fki n ARG 175 N -0.74 -1.12 -1.44 1.70 3.00 -1.26 -2.65 116.66 114.15 3fki n ARG 175 Ca 0.09 0.68 -0.11 0.00 -0.00 0.00 0.00 57.85 58.50 3fki n ARG 175 Cb 0.49 -4.72 0.06 0.00 0.00 0.00 0.00 32.46 28.29 3fki n ARG 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3fki n SER 176 N -0.42 0.55 -0.16 6.15 3.41 -1.21 -4.80 113.62 117.14 3fki n SER 176 Ca -0.07 -1.49 -0.01 0.00 -0.26 0.00 0.00 58.87 57.03 3fki n SER 176 Cb 0.39 -0.33 0.22 0.00 -0.26 0.00 0.00 64.21 64.23 3fki n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3fki h LYS 177 N 0.00 0.89 -0.26 4.33 1.57 -1.90 -2.89 116.57 118.31 3fki h LYS 177 Ca -0.16 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3fki h LYS 177 Cb 0.57 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3fki h LYS 177 CO 0.16 0.70 0.00 -1.71 -0.57 0.00 0.00 179.45 178.04 3fki n ASN 178 N -4.34 1.44 -4.94 0.86 5.15 -1.26 -4.89 115.26 107.27 3fki n ASN 178 Ca 0.06 -1.97 -0.25 0.00 -0.60 0.00 0.00 54.58 51.82 3fki n ASN 178 Cb 0.14 -0.17 -0.03 0.00 -0.53 0.00 0.00 39.78 39.19 3fki n ASN 178 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fki h TYR 180 N 1.77 0.10 0.00 0.00 -1.99 -1.90 -3.31 116.97 111.64 3fki h TYR 180 Ca -0.49 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.18 3fki h TYR 180 Cb 1.20 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.92 3fki h TYR 180 CO 0.52 0.87 0.00 -0.07 -0.00 0.00 0.00 178.16 179.48 3fki h LEU 181 N 0.04 0.00 -2.37 3.88 3.38 -1.94 -3.30 115.31 115.00 3fki h LEU 181 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fki h LEU 181 Cb 1.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 3fki h LEU 181 CO 0.12 0.00 0.02 0.77 0.09 0.00 0.00 178.44 179.43 3fki h SER 182 N 0.00 0.00 0.00 -0.43 4.64 -1.80 -2.92 113.55 113.05 3fki h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fki h SER 182 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3fki h SER 182 CO 0.00 0.00 -1.25 -0.62 -0.87 0.00 0.00 176.83 174.09 3fki n GLU 183 N -3.97 0.92 -2.38 4.77 1.02 -1.24 -5.02 120.64 114.74 3fki n GLU 183 Ca -0.03 -0.07 -0.40 0.00 -0.02 0.00 0.00 57.16 56.65 3fki n GLU 183 Cb 0.10 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 3fki n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fki s ALA 184 N -2.50 3.36 0.59 0.62 0.00 -1.10 -5.06 121.76 117.66 3fki s ALA 184 Ca -0.02 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 3fki s ALA 184 Cb 0.06 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.87 3fki s ALA 184 CO 0.38 -0.32 0.36 0.25 0.00 0.00 0.00 175.76 176.43 3fki n THR 185 N 0.83 0.00 0.53 0.00 -2.24 -1.26 -4.81 114.28 107.32 3fki n THR 185 Ca 0.00 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.08 3fki n THR 185 Cb 0.45 -1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 3fki n THR 185 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3fki h GLU 186 N 0.00 -1.30 0.00 -0.78 4.39 -1.99 0.12 114.58 115.02 3fki h GLU 186 Ca -0.12 0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3fki h GLU 186 Cb 0.41 0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3fki h GLU 186 CO 0.12 -0.87 -0.09 0.66 -1.16 0.00 0.00 179.01 177.67 3fki h SER 187 N -1.36 0.00 0.11 1.42 4.64 -2.01 -2.09 113.55 114.27 3fki h SER 187 Ca -0.14 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.97 3fki h SER 187 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3fki h SER 187 CO 0.23 0.09 -0.83 -0.78 -0.87 0.00 0.00 176.83 174.67 3fki h ASP 188 N 0.00 0.69 -0.29 4.97 3.58 -1.86 -3.33 116.42 120.18 3fki h ASP 188 Ca -0.00 -0.49 -0.12 0.00 0.42 0.00 0.00 57.03 56.84 3fki h ASP 188 Cb 0.22 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 3fki h ASP 188 CO 0.01 1.27 -0.27 -0.07 -2.88 0.00 0.00 179.24 177.30 3fki h LEU 189 N 0.37 0.74 -1.68 2.28 3.38 -0.08 -3.29 115.31 117.02 3fki h LEU 189 Ca -0.06 -0.47 0.14 0.00 0.09 0.00 0.00 57.88 57.59 3fki h LEU 189 Cb 1.45 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 3fki h LEU 189 CO 0.15 1.05 0.46 1.88 0.09 0.00 0.00 178.44 182.08 3fki h TYR 190 N 0.44 0.37 0.00 1.13 -1.99 -1.57 -2.17 116.97 113.17 3fki h TYR 190 Ca 0.05 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 3fki h TYR 190 Cb 0.84 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 3fki h TYR 190 CO 0.07 0.15 -0.33 -0.22 -0.00 0.00 0.00 178.16 177.83 3fki h LYS 191 N 0.32 0.00 -0.90 4.88 3.64 -1.70 -2.97 116.57 119.84 3fki h LYS 191 Ca 0.33 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 59.21 3fki h LYS 191 Cb 0.84 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.38 3fki h LYS 191 CO -0.09 0.33 0.56 1.47 -2.27 0.00 0.00 179.45 179.45 3fki n LEU 192 N -3.74 6.53 -3.20 5.20 -0.00 -0.82 -4.94 117.00 116.03 3fki n LEU 192 Ca -0.01 -3.81 -0.23 0.00 -0.00 0.00 0.00 56.01 51.96 3fki n LEU 192 Cb 0.42 -0.83 0.04 0.00 -0.00 0.00 0.00 43.42 43.05 3fki n LEU 192 CO 0.36 1.20 0.04 0.29 -0.00 0.00 0.00 177.39 179.28 3fki n LYS 193 N -1.09 -5.24 -5.19 1.47 5.02 -1.12 -4.60 118.16 107.41 3fki n LYS 193 Ca 0.56 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 57.38 3fki n LYS 193 Cb 1.36 -5.71 -0.16 0.00 -0.02 0.00 0.00 35.03 30.51 3fki n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fki s GLU 194 N -5.88 2.05 0.08 1.97 0.41 -1.22 -4.85 118.70 111.26 3fki s GLU 194 Ca 0.38 -0.97 -0.30 0.00 -0.41 0.00 0.00 54.97 53.67 3fki s GLU 194 Cb -0.17 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.08 3fki s GLU 194 CO 0.47 0.55 1.09 0.00 -0.49 0.00 0.00 175.26 176.88 3fki h PRO 196 N 6.20 0.00 -0.00 0.00 0.13 -1.95 -2.79 132.00 133.60 3fki h PRO 196 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3fki h PRO 196 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fki h PRO 196 CO 0.76 0.15 -0.19 1.19 -0.23 0.00 0.00 178.00 179.68 3fki n PHE 197 N -3.44 0.00 -2.21 1.56 3.01 -1.26 -4.82 117.46 110.30 3fki n PHE 197 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 3fki n PHE 197 Cb 0.33 -0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 3fki n PHE 197 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3fki s ASP 198 N -2.64 6.81 0.14 4.37 -1.08 -1.05 -4.91 116.67 118.31 3fki s ASP 198 Ca 0.23 2.02 0.23 0.00 -0.52 0.00 0.00 52.55 54.50 3fki s ASP 198 Cb 0.19 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 39.10 3fki s ASP 198 CO 0.53 -0.81 0.99 0.23 0.52 0.00 0.00 175.17 176.63 3fki n MET 199 N 6.47 0.53 0.00 4.34 2.81 -1.26 -5.01 117.12 125.01 3fki n MET 199 Ca 0.15 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 3fki n MET 199 Cb 0.44 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3fki n MET 199 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fki n GLY 200 N 1.23 -0.65 0.00 3.03 0.00 -1.26 -4.78 105.19 102.76 3fki n GLY 200 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3fki n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fki n GLY 201 N 0.00 0.44 2.90 -0.02 0.00 -1.08 -5.00 105.19 102.43 3fki n GLY 201 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3fki n GLY 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3fki n TYR 202 N -1.77 -0.97 -4.69 1.61 0.18 -1.26 -4.73 117.16 105.52 3fki n TYR 202 Ca 0.00 -1.75 -0.24 0.00 1.88 0.00 0.00 57.90 57.79 3fki n TYR 202 Cb 0.00 -0.35 -0.15 0.00 -0.38 0.00 0.00 39.34 38.46 3fki n TYR 202 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3fki s PHE 203 N -2.04 1.50 -0.37 -3.48 0.40 0.51 -2.49 117.98 112.01 3fki s PHE 203 Ca 0.26 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 3fki s PHE 203 Cb -0.02 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.59 3fki s PHE 203 CO 0.16 0.00 0.22 0.42 0.70 0.00 0.00 175.22 176.73 3fki s ILE 204 N -0.53 4.76 -0.20 0.64 1.01 -1.26 -0.08 121.20 125.53 3fki s ILE 204 Ca 0.06 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3fki s ILE 204 Cb -0.07 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.84 3fki s ILE 204 CO 0.00 -0.19 -0.08 -0.63 0.00 0.00 0.00 174.94 174.04 3fki s ILE 205 N 1.60 1.50 -1.55 2.92 1.09 -1.22 -1.19 121.20 124.35 3fki s ILE 205 Ca 0.03 -0.98 -0.08 0.00 -1.10 0.00 0.00 60.65 58.52 3fki s ILE 205 Cb -0.19 -1.65 0.07 0.00 -1.06 0.00 0.00 42.46 39.63 3fki s ILE 205 CO 0.07 0.09 0.52 0.59 -0.10 0.00 0.00 174.94 176.11 3fki n ASN 206 N 4.72 -1.39 0.00 3.58 3.02 -0.70 -3.74 115.26 120.76 3fki n ASN 206 Ca -0.13 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3fki n ASN 206 Cb 0.46 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 3fki n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fki n GLY 207 N -1.81 2.17 3.77 7.41 0.00 -1.12 -4.56 105.19 111.05 3fki n GLY 207 Ca -0.15 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3fki n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fki s SER 208 N -4.00 6.68 0.20 1.61 1.04 -1.25 -4.72 113.70 113.27 3fki s SER 208 Ca 0.00 2.74 -0.30 0.00 0.48 0.00 0.00 55.95 58.87 3fki s SER 208 Cb 0.00 -2.65 -0.08 0.00 0.10 0.00 0.00 66.02 63.39 3fki s SER 208 CO 0.00 -0.62 1.13 -1.61 0.98 0.00 0.00 173.24 173.12 3fki s GLU 209 N -1.54 4.57 -0.09 4.02 2.02 -1.26 -3.43 118.70 122.98 3fki s GLU 209 Ca 0.52 1.79 0.02 0.00 0.02 0.00 0.00 54.97 57.32 3fki s GLU 209 Cb -0.41 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.58 3fki s GLU 209 CO 0.53 0.05 -0.15 0.15 0.02 0.00 0.00 175.26 175.85 3fki s LYS 210 N -0.55 2.16 -0.03 1.61 -0.14 0.89 -2.33 119.74 121.34 3fki s LYS 210 Ca 0.49 -0.55 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 3fki s LYS 210 Cb -0.31 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 3fki s LYS 210 CO 0.37 -0.00 0.01 0.08 -0.76 0.00 0.00 175.35 175.05 3fki s VAL 211 N 0.80 4.26 -0.20 3.17 1.01 0.67 -0.36 120.40 129.74 3fki s VAL 211 Ca -0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3fki s VAL 211 Cb -0.16 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3fki s VAL 211 CO 0.02 0.45 0.23 -0.76 0.00 0.00 0.00 175.10 175.03 3fki s LEU 212 N -1.35 4.19 0.03 3.92 1.43 -1.26 -1.30 118.68 124.34 3fki s LEU 212 Ca 0.18 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 3fki s LEU 212 Cb -0.11 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3fki s LEU 212 CO 0.08 0.09 0.36 -0.63 0.23 0.00 0.00 176.35 176.48 3fki s ILE 213 N 0.70 5.13 0.53 -0.59 -1.09 -1.26 -4.89 121.20 119.73 3fki s ILE 213 Ca 0.12 0.52 -0.21 0.00 -2.23 0.00 0.00 60.65 58.86 3fki s ILE 213 Cb -0.13 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 3fki s ILE 213 CO 0.03 0.42 1.20 0.00 -1.23 0.00 0.00 174.94 175.36 3fki s ALA 214 N -1.25 2.77 -0.35 9.38 0.00 -1.07 -4.79 121.76 126.45 3fki s ALA 214 Ca 0.28 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 3fki s ALA 214 Cb -0.15 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.63 3fki s ALA 214 CO 0.15 -0.92 0.10 -0.65 0.00 0.00 0.00 175.76 174.44 3fki s GLN 215 N -3.03 2.24 -0.90 0.00 -1.52 0.95 -0.19 119.66 117.20 3fki s GLN 215 Ca 0.71 -1.51 -0.24 0.00 -1.95 0.00 0.00 55.36 52.37 3fki s GLN 215 Cb -0.30 -3.39 0.05 0.00 -0.22 0.00 0.00 33.01 29.16 3fki s GLN 215 CO 0.34 -0.83 1.32 -2.00 -0.25 0.00 0.00 175.29 173.88 3fki s GLU 216 N 1.21 3.43 0.23 2.91 2.12 0.36 -0.65 118.70 128.32 3fki s GLU 216 Ca 0.01 -0.90 0.08 0.00 0.36 0.00 0.00 54.97 54.52 3fki s GLU 216 Cb -0.21 -4.86 -0.04 0.00 0.26 0.00 0.00 34.13 29.28 3fki s GLU 216 CO -0.02 -2.11 0.07 -0.98 -0.54 0.00 0.00 175.26 171.68 3fki s ARG 217 N 4.87 2.58 0.24 4.30 1.04 -0.37 -3.85 118.95 127.77 3fki s ARG 217 Ca 0.39 -1.17 -0.30 0.00 -1.04 0.00 0.00 55.73 53.61 3fki s ARG 217 Cb -0.04 -2.38 -0.10 0.00 -2.04 0.00 0.00 34.95 30.38 3fki s ARG 217 CO -0.01 0.41 1.46 0.45 -0.04 0.00 0.00 175.30 177.57 3fki s SER 218 N -3.50 6.63 0.41 -2.89 0.15 -1.26 -1.19 113.70 112.05 3fki s SER 218 Ca 0.31 2.68 -0.26 0.00 0.70 0.00 0.00 55.95 59.38 3fki s SER 218 Cb -0.08 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.52 3fki s SER 218 CO 0.21 -0.73 1.30 0.00 1.20 0.00 0.00 173.24 175.23 3fki s ALA 219 N 0.10 3.24 0.44 5.45 0.00 -0.98 -4.77 121.76 125.24 3fki s ALA 219 Ca 0.61 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.79 3fki s ALA 219 Cb -0.42 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 3fki s ALA 219 CO 0.43 -0.84 0.67 0.20 0.00 0.00 0.00 175.76 176.22 3fki s GLY 220 N -0.76 1.54 -1.54 0.00 0.00 -1.26 -4.53 107.32 100.78 3fki s GLY 220 Ca 0.57 -1.02 -0.05 0.00 0.00 0.00 0.00 44.72 44.22 3fki s GLY 220 CO 0.48 -0.86 0.63 0.70 0.00 0.00 0.00 173.10 174.06 3fki n ASN 221 N -2.06 -6.01 -3.94 1.64 3.02 0.39 -4.95 115.26 103.35 3fki n ASN 221 Ca 0.01 -0.31 -0.21 0.00 -0.03 0.00 0.00 54.58 54.04 3fki n ASN 221 Cb 0.57 -4.85 -0.16 0.00 -0.61 0.00 0.00 39.78 34.73 3fki n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fki s ILE 222 N -3.17 0.72 0.12 2.41 1.01 -1.26 -4.21 121.20 116.81 3fki s ILE 222 Ca 0.33 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 3fki s ILE 222 Cb -0.15 -0.69 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 3fki s ILE 222 CO 0.40 0.26 0.95 0.68 0.00 0.00 0.00 174.94 177.22 3fki s VAL 223 N 0.70 4.49 0.01 2.92 -7.23 -1.26 -4.26 120.40 115.77 3fki s VAL 223 Ca -0.11 2.04 0.00 0.00 -1.81 0.00 0.00 61.98 62.11 3fki s VAL 223 Cb -0.14 -4.31 -0.01 0.00 0.56 0.00 0.00 36.38 32.48 3fki s VAL 223 CO 0.01 0.33 -0.02 -1.10 -0.31 0.00 0.00 175.10 174.01 3fki s GLN 224 N -0.09 0.20 -0.13 4.82 -0.21 0.08 -4.98 119.66 119.35 3fki s GLN 224 Ca 0.46 -0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.53 3fki s GLN 224 Cb -0.23 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.73 3fki s GLN 224 CO 0.30 -0.00 -0.11 0.14 -2.12 0.00 0.00 175.29 173.50 3fki s VAL 225 N -0.65 3.28 -0.01 1.09 -7.23 -1.26 -0.40 120.40 115.21 3fki s VAL 225 Ca -0.06 -0.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.58 3fki s VAL 225 Cb -0.05 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 3fki s VAL 225 CO -0.00 0.52 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.78 3fki s PHE 226 N 0.30 1.46 0.43 2.82 2.99 -0.45 -1.24 117.98 124.29 3fki s PHE 226 Ca -0.08 -0.28 -0.12 0.00 0.00 0.00 0.00 56.93 56.44 3fki s PHE 226 Cb -0.15 -0.94 -0.07 0.00 0.00 0.00 0.00 43.02 41.86 3fki s PHE 226 CO 0.05 -0.02 0.83 0.15 -0.00 0.00 0.00 175.22 176.23 3fki s LYS 227 N -0.41 3.84 0.31 0.44 1.02 -1.26 -2.22 119.74 121.46 3fki s LYS 227 Ca 0.06 0.62 0.10 0.00 0.02 0.00 0.00 55.97 56.77 3fki s LYS 227 Cb -0.06 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 3fki s LYS 227 CO -0.01 -0.10 -0.13 0.15 -0.92 0.00 0.00 175.35 174.35 3fki s LYS 228 N -3.87 1.73 0.79 1.68 -0.14 -1.15 -4.98 119.74 113.79 3fki s LYS 228 Ca 0.54 -1.85 -0.12 0.00 -1.36 0.00 0.00 55.97 53.18 3fki s LYS 228 Cb -0.10 -1.65 0.07 0.00 -1.68 0.00 0.00 37.83 34.47 3fki s LYS 228 CO 0.31 0.19 1.12 0.00 -0.76 0.00 0.00 175.35 176.21 3fki s ALA 229 N -2.63 2.07 0.18 5.17 0.00 -1.26 -4.97 121.76 120.32 3fki s ALA 229 Ca 0.31 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 3fki s ALA 229 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.87 3fki s ALA 229 CO 0.15 -1.97 1.83 0.00 0.00 0.00 0.00 175.76 175.77 3fki h ALA 230 N -1.05 0.79 0.00 0.00 0.00 -2.01 -3.13 119.26 113.87 3fki h ALA 230 Ca -0.44 -0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 3fki h ALA 230 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3fki h ALA 230 CO 0.49 0.26 1.55 -0.35 0.00 0.00 0.00 179.25 181.20 3fki n PRO 231 N -4.61 2.04 -3.68 0.00 -0.04 -1.26 -4.73 135.00 122.72 3fki n PRO 231 Ca 0.04 -1.23 -0.10 0.00 -0.04 0.00 0.00 63.50 62.17 3fki n PRO 231 Cb 0.05 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.19 3fki n PRO 231 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fki s SER 232 N 2.68 -0.66 0.41 3.54 0.15 -1.18 -5.05 113.70 113.59 3fki s SER 232 Ca 0.48 1.13 0.14 0.00 0.70 0.00 0.00 55.95 58.39 3fki s SER 232 Cb 0.17 1.03 0.85 0.00 -1.71 0.00 0.00 66.02 66.37 3fki s SER 232 CO -0.02 -0.21 1.90 1.55 1.20 0.00 0.00 173.24 177.67 3fki h PRO 233 N 6.66 0.00 -6.46 5.44 0.13 -1.89 -3.43 132.00 132.46 3fki h PRO 233 Ca -0.33 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.27 3fki h PRO 233 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3fki h PRO 233 CO 0.22 0.28 0.38 0.42 -0.23 0.00 0.00 178.00 179.08 3fki s ILE 234 N -4.40 4.71 -0.23 -3.56 1.09 -1.26 -2.26 121.20 115.29 3fki s ILE 234 Ca -0.03 2.02 -0.16 0.00 -1.10 0.00 0.00 60.65 61.38 3fki s ILE 234 Cb 0.15 -4.29 -0.09 0.00 -1.06 0.00 0.00 42.46 37.16 3fki s ILE 234 CO 0.71 0.20 -0.34 -0.24 -0.10 0.00 0.00 174.94 175.17 3fki n SER 235 N 3.62 1.95 -4.02 3.58 2.88 -0.20 -4.68 113.62 116.75 3fki n SER 235 Ca 0.05 0.34 -0.22 0.00 -1.33 0.00 0.00 58.87 57.72 3fki n SER 235 Cb 0.50 -0.79 -0.16 0.00 -0.75 0.00 0.00 64.21 63.02 3fki n SER 235 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3fki s HIS 236 N -2.67 1.10 -0.03 0.66 3.76 -1.24 -2.95 115.29 113.91 3fki s HIS 236 Ca -0.34 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.32 3fki s HIS 236 Cb 0.10 -0.78 -0.01 0.00 1.11 0.00 0.00 32.58 33.00 3fki s HIS 236 CO 0.46 -0.13 -0.17 0.08 -0.85 0.00 0.00 174.74 174.13 3fki s VAL 237 N 0.25 1.42 -0.26 -0.90 1.01 -0.94 -0.87 120.40 120.11 3fki s VAL 237 Ca -0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 3fki s VAL 237 Cb -0.10 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3fki s VAL 237 CO 0.01 0.41 0.04 0.00 0.00 0.00 0.00 175.10 175.56 3fki s ALA 238 N -0.11 3.00 0.01 5.51 0.00 0.29 -1.34 121.76 129.12 3fki s ALA 238 Ca -0.00 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.71 3fki s ALA 238 Cb -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 3fki s ALA 238 CO 0.01 -0.70 -0.16 -1.21 0.00 0.00 0.00 175.76 173.71 3fki s GLU 239 N 1.51 2.25 -0.20 0.00 2.02 0.46 -1.20 118.70 123.54 3fki s GLU 239 Ca 0.04 -0.88 -0.05 0.00 0.02 0.00 0.00 54.97 54.11 3fki s GLU 239 Cb -0.16 -2.28 0.10 0.00 0.10 0.00 0.00 34.13 31.89 3fki s GLU 239 CO 0.01 0.57 0.36 -1.50 0.02 0.00 0.00 175.26 174.71 3fki s ILE 240 N -0.89 -0.56 0.28 -1.63 2.07 -1.15 -0.75 121.20 118.58 3fki s ILE 240 Ca 0.14 0.10 -0.29 0.00 -1.41 0.00 0.00 60.65 59.19 3fki s ILE 240 Cb -0.11 -0.66 -0.09 0.00 0.13 0.00 0.00 42.46 41.73 3fki s ILE 240 CO 0.04 -0.00 1.03 -0.13 -1.91 0.00 0.00 174.94 173.97 3fki s ARG 241 N 2.53 4.65 -0.03 3.50 0.52 -1.26 -2.07 118.95 126.79 3fki s ARG 241 Ca 0.04 1.64 -0.01 0.00 -0.52 0.00 0.00 55.73 56.88 3fki s ARG 241 Cb -0.13 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.25 3fki s ARG 241 CO -0.13 0.28 0.04 -1.54 0.02 0.00 0.00 175.30 173.97 3fki s SER 242 N -1.11 0.61 -0.10 0.23 1.04 -0.96 0.15 113.70 113.56 3fki s SER 242 Ca 0.45 0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.64 3fki s SER 242 Cb -0.28 -0.11 0.09 0.00 0.10 0.00 0.00 66.02 65.82 3fki s SER 242 CO 0.35 -0.19 0.80 0.00 0.98 0.00 0.00 173.24 175.18 3fki s ALA 243 N 1.62 -1.83 0.43 5.32 0.00 -1.26 -3.16 121.76 122.88 3fki s ALA 243 Ca -0.02 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 3fki s ALA 243 Cb -0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 3fki s ALA 243 CO -0.03 -0.34 0.89 -0.51 0.00 0.00 0.00 175.76 175.76 3fki s LEU 244 N -1.05 3.85 0.07 0.00 1.43 -1.26 -4.86 118.68 116.87 3fki s LEU 244 Ca -0.07 1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 3fki s LEU 244 Cb -0.01 -4.35 -0.11 0.00 0.03 0.00 0.00 46.19 41.75 3fki s LEU 244 CO 0.06 -0.40 1.40 -0.33 0.23 0.00 0.00 176.35 177.31 3fki h GLU 245 N 1.58 0.53 -3.03 1.70 3.07 -2.03 -3.43 114.58 112.96 3fki h GLU 245 Ca -0.48 -0.26 -0.41 0.00 -0.50 0.00 0.00 59.36 57.71 3fki h GLU 245 Cb 1.18 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.70 3fki h GLU 245 CO 0.62 0.84 -0.72 -1.59 -1.40 0.00 0.00 179.01 176.76 3fki s LYS 246 N -4.40 0.05 0.00 2.33 0.00 -1.26 -5.07 119.74 111.39 3fki s LYS 246 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 55.97 55.94 3fki s LYS 246 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 37.83 36.55 3fki s LYS 246 CO 0.79 -0.57 0.00 0.41 0.00 0.00 0.00 175.35 175.98 3fki n GLY 247 N 5.29 -0.34 0.12 0.59 0.00 -1.26 -5.01 105.19 104.58 3fki n GLY 247 Ca -0.06 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 3fki n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fki n SER 248 N 0.00 1.50 -2.46 1.61 2.88 -1.26 -5.00 113.62 110.90 3fki n SER 248 Ca 0.00 -0.03 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 3fki n SER 248 Cb 0.00 -0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 63.29 3fki n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3fki n ARG 249 N -3.17 -3.37 -3.96 -1.46 1.74 -1.26 -5.04 116.66 100.14 3fki n ARG 249 Ca -0.39 2.68 -0.32 0.00 -0.77 0.00 0.00 57.85 59.05 3fki n ARG 249 Cb 1.04 -4.53 -0.14 0.00 -1.02 0.00 0.00 32.46 27.81 3fki n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3fki s PHE 250 N -0.97 3.73 -1.10 -1.55 0.40 -1.26 -5.03 117.98 112.19 3fki s PHE 250 Ca -0.12 -2.87 -0.15 0.00 -0.60 0.00 0.00 56.93 53.19 3fki s PHE 250 Cb 0.01 -2.99 -0.07 0.00 0.51 0.00 0.00 43.02 40.48 3fki s PHE 250 CO 0.66 -0.95 2.17 0.44 0.70 0.00 0.00 175.22 178.23 3fki n ILE 251 N 4.33 2.70 -3.83 0.64 -5.35 -1.26 -4.45 119.36 112.15 3fki n ILE 251 Ca 0.02 -2.10 -0.35 0.00 -0.27 0.00 0.00 62.75 60.05 3fki n ILE 251 Cb 0.42 -2.41 -0.05 0.00 -1.74 0.00 0.00 39.64 35.86 3fki n ILE 251 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3fki s SER 252 N 3.85 6.44 0.03 7.28 1.04 -1.19 -4.89 113.70 126.26 3fki s SER 252 Ca 0.52 0.49 0.02 0.00 0.48 0.00 0.00 55.95 57.47 3fki s SER 252 Cb 0.14 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 3fki s SER 252 CO 0.01 0.32 0.02 0.42 0.98 0.00 0.00 173.24 174.98 3fki s THR 253 N -1.19 4.23 -0.30 2.02 -4.23 -1.26 -2.28 115.64 112.62 3fki s THR 253 Ca 0.23 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 59.99 3fki s THR 253 Cb -0.13 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.80 3fki s THR 253 CO 0.12 0.28 0.03 -0.22 -0.54 0.00 0.00 174.62 174.29 3fki s LEU 254 N -1.87 3.87 -0.27 4.79 2.96 -0.88 -4.61 118.68 122.67 3fki s LEU 254 Ca 0.23 -1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.00 3fki s LEU 254 Cb -0.12 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3fki s LEU 254 CO 0.14 -0.24 0.16 -1.10 -1.32 0.00 0.00 176.35 174.00 3fki s GLN 255 N 1.36 3.91 -0.24 1.98 -0.21 -1.21 -2.94 119.66 122.32 3fki s GLN 255 Ca -0.01 -0.34 -0.06 0.00 0.02 0.00 0.00 55.36 54.97 3fki s GLN 255 Cb -0.18 -3.58 -0.02 0.00 1.00 0.00 0.00 33.01 30.22 3fki s GLN 255 CO 0.00 -0.15 0.02 0.08 -2.12 0.00 0.00 175.29 173.12 3fki s VAL 256 N 1.64 3.91 0.07 1.09 1.01 -0.34 0.16 120.40 127.93 3fki s VAL 256 Ca 0.07 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3fki s VAL 256 Cb -0.16 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3fki s VAL 256 CO 0.09 0.38 -0.08 -0.54 0.00 0.00 0.00 175.10 174.94 3fki s LYS 257 N 1.56 2.32 -0.35 2.72 1.02 0.15 -0.55 119.74 126.61 3fki s LYS 257 Ca 0.06 -0.90 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 3fki s LYS 257 Cb -0.15 -2.39 0.08 0.00 -0.52 0.00 0.00 37.83 34.85 3fki s LYS 257 CO 0.01 0.54 0.09 -1.17 -0.92 0.00 0.00 175.35 173.90 3fki s LEU 258 N -1.94 4.52 0.53 3.17 2.96 -0.05 -0.54 118.68 127.33 3fki s LEU 258 Ca 0.20 -1.62 -0.16 0.00 -0.22 0.00 0.00 54.13 52.34 3fki s LEU 258 Cb -0.11 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 3fki s LEU 258 CO 0.12 -0.38 0.99 -0.31 -1.32 0.00 0.00 176.35 175.45 3fki s TYR 259 N 1.20 3.46 0.02 5.38 1.51 0.32 -1.03 117.35 128.20 3fki s TYR 259 Ca 0.01 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.52 3fki s TYR 259 Cb -0.21 -2.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.85 3fki s TYR 259 CO -0.02 -0.42 0.00 0.41 -1.11 0.00 0.00 175.55 174.40 3fki n GLY 260 N -1.70 -3.76 3.86 0.71 0.00 -0.96 -3.38 105.19 99.96 3fki n GLY 260 Ca 0.07 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 3fki n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fki s ARG 261 N -2.79 1.84 -0.89 1.61 0.52 -1.26 -4.71 118.95 113.28 3fki s ARG 261 Ca 0.00 0.24 -0.25 0.00 -0.52 0.00 0.00 55.73 55.20 3fki s ARG 261 Cb 0.00 -1.92 -0.07 0.00 0.52 0.00 0.00 34.95 33.47 3fki s ARG 261 CO 0.00 -1.71 2.06 -2.00 0.02 0.00 0.00 175.30 173.68 3fki s GLU 262 N -5.44 2.30 0.00 3.54 2.12 -1.26 -3.40 118.70 116.56 3fki s GLU 262 Ca 0.62 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.82 3fki s GLU 262 Cb -0.12 -5.00 0.00 0.00 0.26 0.00 0.00 34.13 29.27 3fki s GLU 262 CO 0.51 -3.69 0.00 0.41 -0.54 0.00 0.00 175.26 171.95 3fki n GLY 263 N 6.81 -1.26 3.80 -1.50 0.00 -1.26 -5.14 105.19 106.64 3fki n GLY 263 Ca 0.42 0.50 -0.33 0.00 0.00 0.00 0.00 46.02 46.60 3fki n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fki s SER 264 N 0.00 6.09 0.90 1.61 1.04 -1.22 -5.05 113.70 117.07 3fki s SER 264 Ca 0.00 1.84 -0.12 0.00 0.48 0.00 0.00 55.95 58.15 3fki s SER 264 Cb 0.00 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.71 3fki s SER 264 CO 0.00 -0.95 1.13 -0.94 0.98 0.00 0.00 173.24 173.45 3fki s SER 265 N -2.48 3.56 -0.59 7.02 1.04 -1.26 -4.62 113.70 116.37 3fki s SER 265 Ca 0.65 1.03 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 3fki s SER 265 Cb -0.16 -1.63 0.01 0.00 0.10 0.00 0.00 66.02 64.34 3fki s SER 265 CO 0.29 -2.53 0.65 0.00 0.98 0.00 0.00 173.24 172.63 3fki n ALA 266 N -3.76 -2.72 -2.56 5.32 0.00 -1.26 -4.88 120.51 110.65 3fki n ALA 266 Ca 0.06 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 3fki n ALA 266 Cb 0.59 -2.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 3fki n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fki s ARG 267 N -2.98 3.85 0.48 0.00 0.52 -1.26 -4.82 118.95 114.74 3fki s ARG 267 Ca 0.14 -1.78 -0.20 0.00 -0.52 0.00 0.00 55.73 53.38 3fki s ARG 267 Cb -0.03 -5.49 -0.09 0.00 0.52 0.00 0.00 34.95 29.86 3fki s ARG 267 CO 0.79 -2.31 1.00 -0.08 0.02 0.00 0.00 175.30 174.72 3fki s THR 268 N 4.63 4.07 -0.14 0.02 -1.32 -1.22 -4.75 115.64 116.94 3fki s THR 268 Ca 0.53 1.23 -0.01 0.00 -1.21 0.00 0.00 61.69 62.23 3fki s THR 268 Cb 0.03 -3.52 -0.02 0.00 -1.51 0.00 0.00 72.50 67.48 3fki s THR 268 CO 0.04 -0.33 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.38 3fki s ILE 269 N -2.15 3.25 0.37 5.08 1.01 -1.26 -0.53 121.20 126.98 3fki s ILE 269 Ca 0.64 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3fki s ILE 269 Cb -0.13 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3fki s ILE 269 CO 0.20 0.52 0.14 -0.54 0.00 0.00 0.00 174.94 175.26 3fki s LYS 270 N 0.34 1.82 -0.09 2.79 1.02 0.30 -3.12 119.74 122.80 3fki s LYS 270 Ca -0.09 -2.08 -0.14 0.00 0.02 0.00 0.00 55.97 53.68 3fki s LYS 270 Cb -0.15 -0.43 0.03 0.00 -0.52 0.00 0.00 37.83 36.76 3fki s LYS 270 CO 0.05 -0.47 0.35 0.00 -0.92 0.00 0.00 175.35 174.36 3fki s ALA 271 N -3.33 -0.87 -0.21 5.17 0.00 0.11 0.35 121.76 122.98 3fki s ALA 271 Ca 0.29 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 3fki s ALA 271 Cb 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3fki s ALA 271 CO 0.16 -0.21 0.07 0.99 0.00 0.00 0.00 175.76 176.78 3fki s THR 272 N -0.40 4.64 0.03 0.00 2.01 0.12 -0.33 115.64 121.72 3fki s THR 272 Ca -0.05 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 61.91 3fki s THR 272 Cb -0.03 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 3fki s THR 272 CO 0.02 0.41 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.54 3fki s LEU 273 N 0.83 3.21 0.46 4.42 1.43 -1.26 -3.35 118.68 124.41 3fki s LEU 273 Ca 0.04 -0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 3fki s LEU 273 Cb -0.14 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 3fki s LEU 273 CO 0.02 0.25 1.37 -2.16 0.23 0.00 0.00 176.35 176.07 3fki s PRO 274 N -1.66 3.67 0.00 1.29 0.04 -1.26 -2.82 135.00 134.25 3fki s PRO 274 Ca 0.19 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3fki s PRO 274 Cb -0.11 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3fki s PRO 274 CO 0.10 -0.79 0.00 0.66 0.04 0.00 0.00 177.00 177.01 3fki n TYR 275 N -0.26 0.00 -5.17 0.56 4.02 -1.26 -4.98 117.16 110.07 3fki n TYR 275 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.63 3fki n TYR 275 Cb 0.43 -1.04 -0.17 0.00 -0.02 0.00 0.00 39.34 38.55 3fki n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3fki s ILE 276 N -1.79 2.19 0.00 -0.72 1.01 -1.13 -5.00 121.20 115.77 3fki s ILE 276 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3fki s ILE 276 Cb 0.00 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3fki s ILE 276 CO 0.00 0.56 0.75 0.29 0.00 0.00 0.00 174.94 176.54 3fki n LYS 277 N 3.39 0.00 -2.28 2.79 5.02 -1.26 -4.61 118.16 121.21 3fki n LYS 277 Ca -0.19 0.45 -0.28 0.00 -2.02 0.00 0.00 58.31 56.27 3fki n LYS 277 Cb 0.53 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 34.21 3fki n LYS 277 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3fki s GLN 278 N -2.40 3.28 0.32 1.97 0.74 -1.26 -4.98 119.66 117.33 3fki s GLN 278 Ca 0.00 0.31 -0.28 0.00 0.05 0.00 0.00 55.36 55.44 3fki s GLN 278 Cb 0.00 -2.23 -0.09 0.00 1.10 0.00 0.00 33.01 31.79 3fki s GLN 278 CO 0.00 -0.55 1.10 -0.51 -0.55 0.00 0.00 175.29 174.79 3fki s ASP 279 N -4.22 7.06 -0.15 6.67 1.11 -1.26 -4.73 116.67 121.15 3fki s ASP 279 Ca 0.52 2.24 0.01 0.00 0.18 0.00 0.00 52.55 55.51 3fki s ASP 279 Cb -0.11 -2.62 -0.00 0.00 1.07 0.00 0.00 42.92 41.27 3fki s ASP 279 CO 0.48 -0.29 -0.17 -0.63 1.18 0.00 0.00 175.17 175.75 3fki s ILE 280 N -1.29 2.56 0.48 0.77 1.01 0.56 -4.86 121.20 120.42 3fki s ILE 280 Ca 0.49 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 3fki s ILE 280 Cb -0.30 -2.07 -0.08 0.00 0.01 0.00 0.00 42.46 40.03 3fki s ILE 280 CO 0.38 0.52 1.17 -0.81 0.00 0.00 0.00 174.94 176.21 3fki n PRO 281 N 3.98 1.55 0.26 2.79 -0.04 -1.26 0.04 135.00 142.32 3fki n PRO 281 Ca -0.19 0.56 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 3fki n PRO 281 Cb 0.52 -2.31 0.63 0.00 -0.04 0.00 0.00 33.50 32.30 3fki n PRO 281 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3fki h ILE 282 N 1.51 1.01 -0.55 0.52 3.07 -1.84 -2.88 117.51 118.35 3fki h ILE 282 Ca -0.48 -0.08 -0.09 0.00 1.55 0.00 0.00 64.86 65.76 3fki h ILE 282 Cb 1.32 1.04 -0.02 0.00 -0.27 0.00 0.00 36.82 38.89 3fki h ILE 282 CO 0.57 0.02 -0.01 0.58 -1.05 0.00 0.00 178.15 178.26 3fki h VAL 283 N 0.00 1.26 -0.83 0.16 2.07 -1.87 -2.74 116.25 114.30 3fki h VAL 283 Ca -0.00 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3fki h VAL 283 Cb 0.04 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3fki h VAL 283 CO 0.00 0.40 0.37 0.40 0.02 0.00 0.00 177.57 178.77 3fki h ILE 284 N 0.85 1.26 -0.65 4.57 2.04 -1.87 -2.56 117.51 121.16 3fki h ILE 284 Ca 0.16 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3fki h ILE 284 Cb 0.55 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3fki h ILE 284 CO 0.03 0.33 0.23 0.40 0.00 0.00 0.00 178.15 179.14 3fki h ILE 285 N 1.20 1.24 -0.81 -0.67 2.04 -1.58 0.16 117.51 119.10 3fki h ILE 285 Ca 0.28 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3fki h ILE 285 Cb 0.16 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3fki h ILE 285 CO -0.03 0.31 0.35 -0.26 0.00 0.00 0.00 178.15 178.52 3fki h PHE 286 N 0.93 1.20 0.00 1.37 -1.00 -1.32 -0.10 116.94 118.03 3fki h PHE 286 Ca 0.21 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 60.78 3fki h PHE 286 Cb 0.25 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3fki h PHE 286 CO 0.02 0.89 -0.64 0.00 -1.61 0.00 0.00 178.31 176.97 3fki h ARG 287 N 1.17 0.00 -0.08 1.51 3.08 -1.19 -0.08 114.38 118.78 3fki h ARG 287 Ca 0.27 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.21 3fki h ARG 287 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3fki h ARG 287 CO -0.03 0.64 -0.48 0.00 -1.07 0.00 0.00 179.97 179.03 3fki h ALA 288 N 1.36 1.04 -0.41 0.04 0.00 -0.24 -2.87 119.26 118.19 3fki h ALA 288 Ca -0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3fki h ALA 288 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3fki h ALA 288 CO 0.08 0.64 -0.32 -0.07 0.00 0.00 0.00 179.25 179.58 3fki h LEU 289 N 0.16 0.99 0.00 0.00 3.38 -0.87 -3.46 115.31 115.51 3fki h LEU 289 Ca 0.01 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3fki h LEU 289 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3fki h LEU 289 CO 0.07 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.44 3fki n GLY 290 N 0.06 -0.80 3.39 0.83 0.00 -0.80 -4.89 105.19 102.98 3fki n GLY 290 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3fki n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fki s ILE 291 N 0.00 4.75 -0.07 -0.61 1.01 -0.11 -4.91 121.20 121.26 3fki s ILE 291 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 3fki s ILE 291 Cb 0.00 -4.53 -0.30 0.00 0.01 0.00 0.00 42.46 37.64 3fki s ILE 291 CO 0.00 -1.20 0.76 0.40 0.00 0.00 0.00 174.94 174.90 3fki h ILE 292 N 5.91 1.31 -1.92 2.92 2.04 -1.86 -3.18 117.51 122.73 3fki h ILE 292 Ca -0.27 -2.48 -0.52 0.00 1.00 0.00 0.00 64.86 62.58 3fki h ILE 292 Cb 1.08 2.99 -0.00 0.00 -0.74 0.00 0.00 36.82 40.15 3fki h ILE 292 CO 1.11 0.71 1.51 -2.84 0.00 0.00 0.00 178.15 178.64 3fki s PRO 293 N -2.45 2.65 -1.17 2.37 0.02 -1.26 -4.85 135.00 130.32 3fki s PRO 293 Ca -0.16 1.51 -0.22 0.00 0.02 0.00 0.00 61.00 62.15 3fki s PRO 293 Cb 0.02 -4.44 -0.09 0.00 0.02 0.00 0.00 34.50 30.01 3fki s PRO 293 CO 0.81 -2.66 1.93 -0.40 -0.33 0.00 0.00 177.00 176.35 3fki n ASP 294 N 13.46 3.10 0.00 2.53 5.68 -1.26 -1.66 116.55 138.40 3fki n ASP 294 Ca 0.31 -2.71 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 3fki n ASP 294 Cb 0.50 -1.70 0.00 0.00 -1.14 0.00 0.00 41.12 38.78 3fki n ASP 294 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fki n GLY 295 N 5.68 -0.15 0.08 6.12 0.00 -1.26 -4.85 105.19 110.81 3fki n GLY 295 Ca 0.45 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 3fki n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fki h GLU 296 N 0.00 0.00 -0.70 1.61 4.81 -1.71 -1.97 114.58 116.62 3fki h GLU 296 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3fki h GLU 296 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 3fki h GLU 296 CO 0.00 0.89 0.38 0.82 -0.73 0.00 0.00 179.01 180.37 3fki h ILE 297 N 0.00 0.94 -0.49 2.32 2.04 -1.70 0.19 117.51 120.81 3fki h ILE 297 Ca -0.01 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3fki h ILE 297 Cb 1.59 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3fki h ILE 297 CO 0.12 0.13 -0.06 -0.07 0.00 0.00 0.00 178.15 178.26 3fki h LEU 298 N 0.69 0.84 -0.40 1.44 -0.00 -1.82 -2.92 115.31 113.13 3fki h LEU 298 Ca 0.32 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 3fki h LEU 298 Cb 0.24 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 3fki h LEU 298 CO -0.21 0.94 0.00 -0.62 -0.00 0.00 0.00 178.44 178.56 3fki n GLU 299 N -4.18 0.13 0.09 1.13 1.02 -0.33 0.68 120.64 119.19 3fki n GLU 299 Ca 0.02 0.34 -0.23 0.00 -0.02 0.00 0.00 57.16 57.27 3fki n GLU 299 Cb 0.35 -1.74 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 3fki n GLU 299 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3fki h HIS 300 N 0.00 1.01 0.03 -0.32 3.86 -0.49 -3.40 115.15 115.84 3fki h HIS 300 Ca 0.00 -0.64 -0.22 0.00 -1.16 0.00 0.00 60.37 58.35 3fki h HIS 300 Cb 0.37 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 3fki h HIS 300 CO 0.00 1.48 -1.17 0.82 0.86 0.00 0.00 177.93 179.92 3fki h ILE 301 N 0.25 1.04 -3.81 2.45 2.04 -1.36 -3.42 117.51 114.70 3fki h ILE 301 Ca -0.19 -2.26 -0.49 0.00 1.00 0.00 0.00 64.86 62.92 3fki h ILE 301 Cb 1.93 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 40.52 3fki h ILE 301 CO 0.24 0.48 0.17 0.00 0.00 0.00 0.00 178.15 179.04 3fki n TYR 303 N -1.21 0.00 -3.32 0.00 4.01 -1.26 -4.57 117.16 110.81 3fki n TYR 303 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 3fki n TYR 303 Cb 0.54 0.06 -0.09 0.00 -0.31 0.00 0.00 39.34 39.54 3fki n TYR 303 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3fki s ASP 304 N -4.82 6.26 0.56 7.72 3.68 -1.26 -4.71 116.67 124.09 3fki s ASP 304 Ca 0.00 -0.09 0.33 0.00 2.13 0.00 0.00 52.55 54.92 3fki s ASP 304 Cb 0.00 -2.23 1.61 0.00 -1.45 0.00 0.00 42.92 40.84 3fki s ASP 304 CO 0.00 -0.40 2.10 0.58 0.13 0.00 0.00 175.17 177.58 3fki h VAL 305 N 5.57 0.28 -0.37 1.11 2.07 -1.96 -1.57 116.25 121.37 3fki h VAL 305 Ca -0.29 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 3fki h VAL 305 Cb 1.13 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3fki h VAL 305 CO 0.73 0.07 0.07 0.59 0.02 0.00 0.00 177.57 179.04 3fki n ASN 306 N -3.34 3.65 -3.35 0.57 3.02 -1.26 -4.38 115.26 110.17 3fki n ASN 306 Ca -0.01 -2.60 -0.40 0.00 -0.03 0.00 0.00 54.58 51.54 3fki n ASN 306 Cb 0.23 -0.62 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 3fki n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3fki n ASP 307 N 0.21 7.44 -0.28 6.41 -0.08 -0.59 -4.85 116.55 124.81 3fki n ASP 307 Ca 0.19 -3.62 0.33 0.00 -1.51 0.00 0.00 54.79 50.19 3fki n ASP 307 Cb 0.86 -1.17 0.74 0.00 2.34 0.00 0.00 41.12 43.89 3fki n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 3fki h TRP 308 N 3.86 0.00 -0.55 -0.67 5.08 -1.85 -0.33 115.95 121.50 3fki h TRP 308 Ca 0.56 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.43 3fki h TRP 308 Cb 0.27 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.41 3fki h TRP 308 CO 1.34 0.00 -0.05 0.37 -1.28 0.00 0.00 178.44 178.82 3fki h GLN 309 N 0.00 0.98 -0.44 0.12 4.15 -1.97 -1.66 115.11 116.30 3fki h GLN 309 Ca 0.53 -0.32 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 3fki h GLN 309 Cb 2.12 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.71 3fki h GLN 309 CO -0.01 0.99 0.02 1.98 -1.93 0.00 0.00 178.83 179.89 3fki h MET 310 N 0.89 0.76 -0.28 1.69 4.05 -1.47 -2.97 114.93 117.60 3fki h MET 310 Ca 0.15 -0.23 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 3fki h MET 310 Cb 0.59 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 3fki h MET 310 CO 0.04 0.81 0.06 -0.07 0.23 0.00 0.00 176.91 177.98 3fki h LEU 311 N 0.60 0.36 -1.17 3.39 4.07 -1.45 -2.24 115.31 118.87 3fki h LEU 311 Ca 0.13 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.96 3fki h LEU 311 Cb 0.45 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 3fki h LEU 311 CO 0.02 0.38 -0.34 -0.08 -1.08 0.00 0.00 178.44 177.33 3fki h GLU 312 N 0.39 0.12 -0.18 1.13 4.57 -1.15 -2.82 114.58 116.64 3fki h GLU 312 Ca 0.09 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 3fki h GLU 312 Cb 0.17 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3fki h GLU 312 CO -0.00 0.46 -0.37 0.52 -1.18 0.00 0.00 179.01 178.43 3fki h MET 313 N 0.11 0.40 0.00 1.92 2.86 -1.27 -3.17 114.93 115.78 3fki h MET 313 Ca 0.01 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3fki h MET 313 Cb 0.66 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3fki h MET 313 CO 0.05 0.71 -0.49 -0.07 1.06 0.00 0.00 176.91 178.17 3fki h LEU 314 N 0.34 0.00 -0.51 1.22 4.07 -1.46 -3.39 115.31 115.58 3fki h LEU 314 Ca 0.04 -0.15 0.10 0.00 0.08 0.00 0.00 57.88 57.94 3fki h LEU 314 Cb 0.81 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.44 3fki h LEU 314 CO 0.06 0.08 -0.24 0.11 -1.08 0.00 0.00 178.44 177.37 3fki h LYS 315 N 0.00 -0.12 0.00 1.13 1.57 -1.47 -1.25 116.57 116.43 3fki h LYS 315 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3fki h LYS 315 Cb 0.76 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3fki h LYS 315 CO 0.00 -0.08 -0.48 -1.00 -0.57 0.00 0.00 179.45 177.32 3fki h PRO 316 N -0.12 0.00 0.00 3.15 0.13 -1.79 -2.77 132.00 130.59 3fki h PRO 316 Ca 0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.24 3fki h PRO 316 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 3fki h PRO 316 CO -0.58 0.48 -0.60 0.00 -0.23 0.00 0.00 178.00 177.06 3fki h VAL 318 N 0.00 1.32 0.00 0.00 2.07 -1.20 -2.90 116.25 115.54 3fki h VAL 318 Ca -0.01 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.57 3fki h VAL 318 Cb 1.26 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3fki h VAL 318 CO 0.08 0.60 -0.10 -0.33 0.02 0.00 0.00 177.57 177.83 3fki h GLU 319 N 0.45 0.00 -0.05 1.57 5.08 -1.29 -1.17 114.58 119.16 3fki h GLU 319 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3fki h GLU 319 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3fki h GLU 319 CO 0.13 0.10 -0.65 0.22 -1.00 0.00 0.00 179.01 177.81 3fki h ASP 320 N 0.00 0.25 1.20 1.42 3.58 -1.24 -3.19 116.42 118.44 3fki h ASP 320 Ca -0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.29 3fki h ASP 320 Cb 0.23 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.21 3fki h ASP 320 CO 0.01 0.83 -0.08 0.61 -2.88 0.00 0.00 179.24 177.74 3fki n GLY 321 N 0.36 -1.59 0.44 -0.78 0.00 -0.50 -4.12 105.19 99.00 3fki n GLY 321 Ca -0.02 -0.09 0.24 0.00 0.00 0.00 0.00 46.02 46.15 3fki n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3fki h PHE 322 N 0.00 0.00 -0.06 1.61 3.57 -1.40 -1.04 116.94 119.61 3fki h PHE 322 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3fki h PHE 322 Cb 0.64 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 3fki h PHE 322 CO 0.00 0.00 0.05 0.28 -2.23 0.00 0.00 178.31 176.41 3fki h VAL 323 N 0.00 0.96 -3.73 1.41 2.07 -1.82 -3.42 116.25 111.72 3fki h VAL 323 Ca 0.31 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 67.15 3fki h VAL 323 Cb 1.59 0.97 -0.19 0.00 -1.52 0.00 0.00 31.29 32.14 3fki h VAL 323 CO -0.00 0.00 -0.74 -0.63 0.02 0.00 0.00 177.57 176.21 3fki s ILE 324 N -5.06 3.32 0.00 4.57 1.01 -0.40 -5.01 121.20 119.63 3fki s ILE 324 Ca -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3fki s ILE 324 Cb 0.17 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3fki s ILE 324 CO 0.68 0.34 0.16 1.67 0.00 0.00 0.00 174.94 177.80 3fki n GLN 325 N 1.46 0.00 -4.14 2.79 -0.06 -1.26 -5.00 117.38 111.17 3fki n GLN 325 Ca -0.15 -0.16 -0.15 0.00 -2.00 0.00 0.00 57.00 54.53 3fki n GLN 325 Cb 0.52 -0.36 -0.11 0.00 -4.06 0.00 0.00 30.24 26.24 3fki n GLN 325 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3fki s ASP 326 N 0.00 1.30 0.32 1.69 1.01 -1.26 -5.02 116.67 114.71 3fki s ASP 326 Ca 0.00 -0.68 0.06 0.00 0.71 0.00 0.00 52.55 52.64 3fki s ASP 326 Cb 0.00 0.01 0.54 0.00 1.01 0.00 0.00 42.92 44.48 3fki s ASP 326 CO 0.00 -0.20 1.78 -0.09 0.21 0.00 0.00 175.17 176.86 3fki h ARG 327 N 4.04 0.34 -0.52 8.23 2.43 -1.96 0.18 114.38 127.12 3fki h ARG 327 Ca -0.38 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 3fki h ARG 327 Cb 1.19 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3fki h ARG 327 CO 0.46 0.57 0.16 0.93 -1.51 0.00 0.00 179.97 180.58 3fki h GLU 328 N 0.30 0.77 -0.00 0.20 5.08 -1.96 -2.71 114.58 116.25 3fki h GLU 328 Ca 0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3fki h GLU 328 Cb 0.61 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3fki h GLU 328 CO 0.04 0.67 -0.57 2.41 -1.00 0.00 0.00 179.01 180.56 3fki n THR 329 N -4.31 0.00 -0.03 1.13 -1.04 -0.92 -4.02 114.28 105.09 3fki n THR 329 Ca 0.04 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.05 61.90 3fki n THR 329 Cb 0.20 0.40 -0.11 0.00 -1.82 0.00 0.00 70.33 69.00 3fki n THR 329 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fki h ALA 330 N 3.05 0.02 -0.01 2.41 0.00 -0.32 -3.14 119.26 121.27 3fki h ALA 330 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fki h ALA 330 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fki h ALA 330 CO 0.00 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.41 3fki n LEU 331 N -4.73 0.16 -0.05 0.00 4.32 -1.20 -3.87 117.00 111.64 3fki n LEU 331 Ca -0.09 -0.07 -0.15 0.00 -0.02 0.00 0.00 56.01 55.68 3fki n LEU 331 Cb 0.35 -0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 3fki n LEU 331 CO 0.35 0.03 0.43 -0.78 -1.22 0.00 0.00 177.39 176.20 3fki h ASP 332 N 0.22 0.74 -0.06 -1.43 3.58 -1.68 -3.33 116.42 114.47 3fki h ASP 332 Ca 0.00 -0.57 -0.68 0.00 0.42 0.00 0.00 57.03 56.20 3fki h ASP 332 Cb 0.05 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 40.90 3fki h ASP 332 CO 0.00 1.18 3.73 0.33 -2.88 0.00 0.00 179.24 181.60 3fki n PHE 333 N -4.18 2.53 -3.81 0.28 7.35 -1.25 -4.76 117.46 113.60 3fki n PHE 333 Ca -0.06 -3.08 -0.27 0.00 -0.76 0.00 0.00 57.45 53.29 3fki n PHE 333 Cb 0.58 -2.47 -0.17 0.00 0.35 0.00 0.00 39.48 37.77 3fki n PHE 333 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3fki s ILE 334 N 2.10 0.74 0.27 -2.13 -1.09 -1.25 -5.11 121.20 114.73 3fki s ILE 334 Ca 0.67 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.70 3fki s ILE 334 Cb 0.18 -1.01 -0.03 0.00 -1.58 0.00 0.00 42.46 40.01 3fki s ILE 334 CO -0.06 0.07 0.24 -0.83 -1.23 0.00 0.00 174.94 173.12 3fki s GLY 335 N 1.79 1.74 0.00 6.18 0.00 -1.26 -4.92 107.32 110.85 3fki s GLY 335 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3fki s GLY 335 CO -0.07 -1.34 0.00 -2.13 0.00 0.00 0.00 173.10 169.55 3fki n ARG 336 N -0.44 0.00 -0.02 2.90 0.63 -1.26 -4.31 116.66 114.17 3fki n ARG 336 Ca 0.04 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.98 3fki n ARG 336 Cb 0.64 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.57 3fki n ARG 336 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3fki n GLU 346 N 1.32 -0.00 0.14 -0.14 1.02 -1.26 -5.12 120.64 116.60 3fki n GLU 346 Ca 0.00 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 3fki n GLU 346 Cb 0.00 -0.09 0.20 0.00 -0.02 0.00 0.00 31.44 31.53 3fki n GLU 346 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3fki h LYS 347 N 0.00 0.00 0.00 3.49 2.10 -2.04 -3.24 116.57 116.88 3fki h LYS 347 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3fki h LYS 347 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3fki h LYS 347 CO -0.01 0.58 -0.51 2.89 -2.00 0.00 0.00 179.45 180.40 3fki n ARG 348 N -3.81 3.72 0.06 0.07 1.85 -1.26 -4.56 116.66 112.74 3fki n ARG 348 Ca -0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 3fki n ARG 348 Cb 0.59 -0.94 -0.14 0.00 -1.05 0.00 0.00 32.46 30.92 3fki n ARG 348 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3fki h ILE 349 N 0.00 1.35 -0.45 8.89 2.04 -1.84 -3.28 117.51 124.23 3fki h ILE 349 Ca 0.00 -3.01 0.07 0.00 1.00 0.00 0.00 64.86 62.93 3fki h ILE 349 Cb 0.23 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 3fki h ILE 349 CO 0.00 0.84 0.30 1.56 0.00 0.00 0.00 178.15 180.86 3fki h GLN 350 N 0.05 0.28 -0.36 2.37 4.20 -1.80 -1.17 115.11 118.68 3fki h GLN 350 Ca -0.16 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 3fki h GLN 350 Cb 1.94 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.65 3fki h GLN 350 CO 0.16 0.18 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.45 3fki h TYR 351 N 0.28 0.83 0.04 2.96 3.20 -1.82 -3.29 116.97 119.17 3fki h TYR 351 Ca 0.20 -0.19 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 3fki h TYR 351 Cb 0.43 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3fki h TYR 351 CO -0.00 0.90 -1.03 0.00 -1.64 0.00 0.00 178.16 176.39 3fki h ALA 352 N 0.81 0.33 -0.81 1.82 0.00 -1.50 -3.15 119.26 116.76 3fki h ALA 352 Ca 0.09 -0.86 0.05 0.00 0.00 0.00 0.00 54.91 54.19 3fki h ALA 352 Cb 0.66 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3fki h ALA 352 CO 0.04 1.10 0.53 0.87 0.00 0.00 0.00 179.25 181.79 3fki h LYS 353 N 0.04 0.90 0.20 0.00 1.57 -1.30 -1.76 116.57 116.22 3fki h LYS 353 Ca -0.05 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.38 3fki h LYS 353 Cb 1.75 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 33.88 3fki h LYS 353 CO 0.15 0.60 -1.39 -0.44 -0.57 0.00 0.00 179.45 177.79 3fki h ASP 354 N 0.93 0.65 -0.52 0.86 3.32 -1.66 -3.37 116.42 116.63 3fki h ASP 354 Ca 0.34 -0.92 0.01 0.00 0.02 0.00 0.00 57.03 56.47 3fki h ASP 354 Cb 0.16 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3fki h ASP 354 CO -0.12 1.65 0.34 0.40 -1.72 0.00 0.00 179.24 179.80 3fki h ILE 355 N -0.04 1.13 0.00 0.35 2.04 -1.45 0.65 117.51 120.18 3fki h ILE 355 Ca -0.26 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3fki h ILE 355 Cb 1.98 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3fki h ILE 355 CO 0.20 0.13 0.00 0.18 0.00 0.00 0.00 178.15 178.65 3fki n LEU 356 N -4.73 0.04 0.00 1.44 4.77 -0.68 0.42 117.00 118.26 3fki n LEU 356 Ca 0.03 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3fki n LEU 356 Cb 0.02 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3fki n LEU 356 CO 0.35 -0.34 0.08 0.00 -1.33 0.00 0.00 177.39 176.15 3fki n GLN 357 N -1.55 4.15 0.00 3.23 6.02 -0.91 -4.42 117.38 123.90 3fki n GLN 357 Ca 0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 3fki n GLN 357 Cb 0.13 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 30.76 3fki n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3fki n LYS 358 N -0.64 3.40 0.00 -1.09 5.02 0.17 -4.14 118.16 120.88 3fki n LYS 358 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fki n LYS 358 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 3fki n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fki n GLU 359 N -0.59 1.24 -2.31 1.97 -0.58 0.17 -4.80 120.64 115.74 3fki n GLU 359 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 3fki n GLU 359 Cb 0.00 -0.84 -0.03 0.00 -0.57 0.00 0.00 31.44 30.00 3fki n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3fki s PHE 360 N -1.68 2.87 -1.01 -0.32 5.36 0.12 -3.74 117.98 119.58 3fki s PHE 360 Ca 0.00 0.91 -0.16 0.00 -0.96 0.00 0.00 56.93 56.72 3fki s PHE 360 Cb 0.00 -3.59 0.02 0.00 -0.34 0.00 0.00 43.02 39.11 3fki s PHE 360 CO 0.00 -2.10 0.66 -0.11 -1.46 0.00 0.00 175.22 172.21 3fki n LEU 361 N 5.73 -1.60 0.15 6.12 7.94 -1.26 -4.67 117.00 129.41 3fki n LEU 361 Ca 0.13 -1.06 0.12 0.00 -1.11 0.00 0.00 56.01 54.09 3fki n LEU 361 Cb 0.45 -1.80 0.54 0.00 0.53 0.00 0.00 43.42 43.14 3fki n LEU 361 CO 0.57 0.49 0.85 -0.81 -1.11 0.00 0.00 177.39 177.38 3fki n PRO 362 N -3.71 0.18 -0.96 1.96 -0.04 -1.25 -4.65 135.00 126.54 3fki n PRO 362 Ca -0.20 0.52 -0.15 0.00 -0.04 0.00 0.00 63.50 63.63 3fki n PRO 362 Cb 0.62 -1.92 0.11 0.00 -0.04 0.00 0.00 33.50 32.27 3fki n PRO 362 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3fki n HIS 363 N -2.27 -3.99 0.00 0.54 1.44 -1.26 -4.41 115.22 105.28 3fki n HIS 363 Ca 0.01 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 55.12 3fki n HIS 363 Cb 0.15 -0.53 0.00 0.00 0.12 0.00 0.00 29.99 29.74 3fki n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3fki n ILE 364 N -2.96 0.00 -3.69 0.61 5.41 -1.26 -4.71 119.36 112.76 3fki n ILE 364 Ca 0.08 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.69 3fki n ILE 364 Cb 0.29 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.15 3fki n ILE 364 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3fki s THR 365 N 0.00 0.04 -0.09 1.39 2.01 -1.26 -5.05 115.64 112.67 3fki s THR 365 Ca 0.00 -0.30 0.14 0.00 0.31 0.00 0.00 61.69 61.84 3fki s THR 365 Cb 0.00 -0.73 0.21 0.00 0.01 0.00 0.00 72.50 71.99 3fki s THR 365 CO 0.00 -0.16 1.10 0.00 -0.69 0.00 0.00 174.62 174.87 3fki n GLN 366 N 1.31 1.53 0.00 4.92 6.02 -1.26 -4.85 117.38 125.04 3fki n GLN 366 Ca -0.20 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.54 3fki n GLN 366 Cb 0.56 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.49 3fki n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3fki n LEU 367 N -1.15 0.00 0.00 1.08 7.99 -1.26 -4.58 117.00 119.08 3fki n LEU 367 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 3fki n LEU 367 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 3fki n LEU 367 CO 0.01 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.27 3fki n GLU 368 N 0.00 0.00 -0.82 3.23 1.02 -1.26 -4.80 120.64 118.01 3fki n GLU 368 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 3fki n GLU 368 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3fki n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fki n GLY 369 N 2.20 3.21 2.33 0.62 0.00 -1.26 -4.04 105.19 108.25 3fki n GLY 369 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.10 3fki n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fki n PHE 370 N 4.33 0.76 -0.01 1.61 3.01 -1.26 -4.90 117.46 121.00 3fki n PHE 370 Ca 0.48 -1.51 -0.04 0.00 1.01 0.00 0.00 57.45 57.39 3fki n PHE 370 Cb 0.16 -0.19 0.20 0.00 -0.01 0.00 0.00 39.48 39.63 3fki n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3fki h GLU 371 N 1.98 0.54 -0.07 -1.08 3.07 -1.90 -2.67 114.58 114.44 3fki h GLU 371 Ca -0.18 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.36 58.43 3fki h GLU 371 Cb 1.51 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 3fki h GLU 371 CO 0.15 0.72 -0.21 0.77 -1.40 0.00 0.00 179.01 179.03 3fki h SER 372 N 0.48 0.30 -0.79 1.42 0.02 -1.91 -2.82 113.55 110.25 3fki h SER 372 Ca 0.08 -0.61 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3fki h SER 372 Cb 0.63 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 3fki h SER 372 CO 0.04 0.86 0.48 -0.09 -1.14 0.00 0.00 176.83 176.99 3fki h ARG 373 N -0.24 1.07 0.00 3.45 2.43 -1.83 -2.11 114.38 117.15 3fki h ARG 373 Ca -0.01 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 3fki h ARG 373 Cb 0.83 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3fki h ARG 373 CO 0.04 0.75 -0.73 0.87 -1.51 0.00 0.00 179.97 179.39 3fki h LYS 374 N 1.09 0.00 -0.31 0.20 1.57 -1.57 -3.31 116.57 114.24 3fki h LYS 374 Ca 0.29 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 3fki h LYS 374 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3fki h LYS 374 CO -0.05 0.73 -0.14 0.00 -0.57 0.00 0.00 179.45 179.42 3fki h ALA 375 N 1.27 0.44 -0.31 3.86 0.00 -1.12 -2.50 119.26 120.90 3fki h ALA 375 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3fki h ALA 375 Cb 1.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3fki h ALA 375 CO 0.10 0.33 0.00 0.74 0.00 0.00 0.00 179.25 180.42 3fki h PHE 376 N 0.41 0.48 -0.39 0.00 -1.00 -1.61 -1.30 116.94 113.53 3fki h PHE 376 Ca 0.07 -0.04 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 3fki h PHE 376 Cb 0.67 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3fki h PHE 376 CO 0.06 0.48 -0.20 0.35 -1.61 0.00 0.00 178.31 177.39 3fki h PHE 377 N 0.46 0.96 -0.55 -0.55 3.57 -1.62 0.03 116.94 119.24 3fki h PHE 377 Ca 0.10 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 3fki h PHE 377 Cb 0.29 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3fki h PHE 377 CO 0.01 1.01 0.15 1.25 -2.23 0.00 0.00 178.31 178.50 3fki h LEU 378 N 0.64 0.77 -0.72 0.59 5.85 -1.18 -2.54 115.31 118.72 3fki h LEU 378 Ca 0.09 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3fki h LEU 378 Cb 0.76 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3fki h LEU 378 CO 0.06 0.74 0.10 1.23 -0.34 0.00 0.00 178.44 180.23 3fki h GLY 379 N 0.96 1.17 1.79 3.75 0.00 -0.96 -2.89 103.07 106.89 3fki h GLY 379 Ca 0.18 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 3fki h GLY 379 CO -0.01 0.72 0.04 -1.82 0.00 0.00 0.00 176.54 175.47 3fki h TYR 380 N 1.01 0.27 0.32 5.60 3.20 -0.60 0.75 116.97 127.53 3fki h TYR 380 Ca 0.20 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3fki h TYR 380 Cb 0.44 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3fki h TYR 380 CO 0.03 0.25 -0.15 0.52 -1.64 0.00 0.00 178.16 177.17 3fki h MET 381 N 0.27 -0.41 -0.56 1.82 2.86 -1.28 -1.22 114.93 116.41 3fki h MET 381 Ca 0.07 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3fki h MET 381 Cb 0.12 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3fki h MET 381 CO -0.00 -0.10 0.30 0.82 1.06 0.00 0.00 176.91 178.99 3fki h ILE 382 N -0.77 1.17 0.35 -1.22 2.04 -1.32 0.46 117.51 118.24 3fki h ILE 382 Ca -0.04 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3fki h ILE 382 Cb 0.51 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3fki h ILE 382 CO 0.07 0.19 -0.23 -1.13 0.00 0.00 0.00 178.15 177.06 3fki h ASN 383 N 0.78 -0.58 0.58 1.72 -1.24 -0.85 -1.49 115.58 114.50 3fki h ASN 383 Ca 0.20 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.20 3fki h ASN 383 Cb 0.03 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 3fki h ASN 383 CO -0.03 -0.36 -0.22 0.03 -1.29 0.00 0.00 177.43 175.56 3fki h ARG 384 N -0.57 0.00 -0.26 6.67 2.47 -0.66 -2.52 114.38 119.51 3fki h ARG 384 Ca -0.03 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 3fki h ARG 384 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 3fki h ARG 384 CO 0.03 0.22 -0.14 1.25 0.56 0.00 0.00 179.97 181.89 3fki h LEU 385 N 0.00 0.58 -0.20 3.04 6.46 0.13 -3.16 115.31 122.15 3fki h LEU 385 Ca -0.00 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3fki h LEU 385 Cb 0.57 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3fki h LEU 385 CO 0.03 0.86 0.00 -0.07 -0.62 0.00 0.00 178.44 178.64 3fki h LEU 386 N 0.29 0.00 -1.87 2.25 3.38 -1.13 -3.02 115.31 115.21 3fki h LEU 386 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3fki h LEU 386 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3fki h LEU 386 CO 0.04 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.48 3fki h LEU 387 N 0.00 0.00 0.00 1.67 -0.00 -1.41 -2.49 115.31 113.08 3fki h LEU 387 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.59 3fki h LEU 387 Cb 0.76 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.37 3fki h LEU 387 CO 0.00 0.02 -2.15 0.00 -0.00 0.00 0.00 178.44 176.30 3fki h ALA 389 N 1.19 1.07 -0.02 0.00 0.00 -1.50 -2.37 119.26 117.64 3fki h ALA 389 Ca -0.40 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3fki h ALA 389 Cb 1.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3fki h ALA 389 CO 0.03 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.16 3fki n LEU 390 N -4.02 1.67 -3.46 0.00 4.77 -0.95 -4.98 117.00 110.04 3fki n LEU 390 Ca -0.02 -0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 55.22 3fki n LEU 390 Cb 0.49 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3fki n LEU 390 CO 0.42 0.28 0.02 0.47 -1.33 0.00 0.00 177.39 177.25 3fki n ASP 391 N 0.31 -3.96 -0.03 -1.43 8.00 -0.89 -4.95 116.55 113.60 3fki n ASP 391 Ca 0.18 -0.75 0.03 0.00 0.71 0.00 0.00 54.79 54.96 3fki n ASP 391 Cb 0.38 -4.70 -0.11 0.00 -0.02 0.00 0.00 41.12 36.67 3fki n ASP 391 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3fki n ARG 392 N -3.84 0.91 -4.13 -1.24 1.74 0.58 -5.00 116.66 105.68 3fki n ARG 392 Ca -0.19 -0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 56.68 3fki n ARG 392 Cb 0.64 -1.34 -0.11 0.00 -1.02 0.00 0.00 32.46 30.63 3fki n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3fki s LYS 393 N -2.77 0.71 0.68 5.56 -0.14 -0.61 -5.02 119.74 118.15 3fki s LYS 393 Ca -0.06 -1.03 -0.14 0.00 -1.36 0.00 0.00 55.97 53.38 3fki s LYS 393 Cb 0.07 -0.35 0.01 0.00 -1.68 0.00 0.00 37.83 35.88 3fki s LYS 393 CO 0.58 0.05 1.10 -0.51 -0.76 0.00 0.00 175.35 175.81 3fki s ASP 394 N -2.22 5.01 0.15 2.83 1.01 -1.26 -4.42 116.67 117.77 3fki s ASP 394 Ca 0.00 1.93 -0.31 0.00 0.71 0.00 0.00 52.55 54.88 3fki s ASP 394 Cb -0.04 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 3fki s ASP 394 CO -0.01 -1.70 1.58 -1.58 0.21 0.00 0.00 175.17 173.67 3fki s GLN 395 N -4.33 4.21 0.05 8.23 0.74 -1.26 -4.91 119.66 122.39 3fki s GLN 395 Ca 0.65 2.35 -0.30 0.00 0.05 0.00 0.00 55.36 58.11 3fki s GLN 395 Cb -0.19 -3.22 -0.09 0.00 1.10 0.00 0.00 33.01 30.61 3fki s GLN 395 CO 0.45 -0.62 1.83 0.34 -0.55 0.00 0.00 175.29 176.74 3fki s ASP 396 N 1.34 6.51 0.01 6.67 -1.08 -0.37 -4.93 116.67 124.81 3fki s ASP 396 Ca 0.71 2.58 -0.30 0.00 -0.52 0.00 0.00 52.55 55.02 3fki s ASP 396 Cb -0.43 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.43 3fki s ASP 396 CO 0.31 -0.99 1.29 -0.62 0.52 0.00 0.00 175.17 175.69 3fki s ASP 397 N 3.50 6.96 0.22 -0.34 -1.08 -1.26 -4.83 116.67 119.83 3fki s ASP 397 Ca 0.82 2.02 0.25 0.00 -0.52 0.00 0.00 52.55 55.11 3fki s ASP 397 Cb -0.41 -2.57 0.90 0.00 -1.46 0.00 0.00 42.92 39.38 3fki s ASP 397 CO 0.37 -0.62 1.75 0.54 0.52 0.00 0.00 175.17 177.73 3fki n ARG 398 N 4.86 0.22 -1.91 4.34 1.74 -1.26 -3.83 116.66 120.81 3fki n ARG 398 Ca 0.11 0.30 -0.26 0.00 -0.77 0.00 0.00 57.85 57.23 3fki n ARG 398 Cb 0.45 -1.81 0.03 0.00 -1.02 0.00 0.00 32.46 30.11 3fki n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3fki n ASP 399 N -2.20 5.41 -0.20 0.55 8.00 -1.26 -4.70 116.55 122.14 3fki n ASP 399 Ca 0.04 -3.76 0.12 0.00 0.71 0.00 0.00 54.79 51.90 3fki n ASP 399 Cb 0.33 -0.45 0.60 0.00 -0.02 0.00 0.00 41.12 41.58 3fki n ASP 399 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3fki n HIS 400 N -0.74 0.05 0.00 1.24 -0.00 -1.25 -4.78 115.22 109.74 3fki n HIS 400 Ca 0.47 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.63 3fki n HIS 400 Cb 0.91 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.78 3fki n HIS 400 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3fki n PHE 401 N -0.43 0.00 0.26 1.57 7.35 -1.26 -4.17 117.46 120.78 3fki n PHE 401 Ca 0.18 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.99 3fki n PHE 401 Cb 0.18 0.00 0.70 0.00 0.35 0.00 0.00 39.48 40.71 3fki n PHE 401 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3fki h GLY 402 N 0.00 0.00 -2.49 7.13 0.00 -1.91 -1.12 103.07 104.68 3fki h GLY 402 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3fki h GLY 402 CO 0.00 0.00 0.05 0.28 0.00 0.00 0.00 176.54 176.87 3fki n LYS 403 N -3.66 2.92 -4.23 4.80 4.01 -1.26 -4.79 118.16 115.95 3fki n LYS 403 Ca -0.02 -1.70 -0.17 0.00 -0.51 0.00 0.00 58.31 55.92 3fki n LYS 403 Cb 0.25 -1.88 -0.14 0.00 -0.51 0.00 0.00 35.03 32.75 3fki n LYS 403 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3fki s LYS 404 N -1.93 0.61 0.18 1.97 1.02 -0.42 -2.32 119.74 118.85 3fki s LYS 404 Ca 0.30 -0.43 0.11 0.00 0.02 0.00 0.00 55.97 55.97 3fki s LYS 404 Cb 0.23 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 3fki s LYS 404 CO 0.08 0.14 -0.24 1.03 -0.92 0.00 0.00 175.35 175.44 3fki s ARG 405 N -0.60 1.49 -0.26 1.68 1.81 -0.33 -4.65 118.95 118.08 3fki s ARG 405 Ca -0.00 -1.49 -0.05 0.00 -1.72 0.00 0.00 55.73 52.47 3fki s ARG 405 Cb -0.05 -1.85 0.01 0.00 -0.45 0.00 0.00 34.95 32.61 3fki s ARG 405 CO 0.00 0.41 0.02 -0.51 -0.68 0.00 0.00 175.30 174.53 3fki s LEU 406 N -2.57 3.45 -0.15 2.53 1.43 -0.50 -1.23 118.68 121.65 3fki s LEU 406 Ca 0.20 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 3fki s LEU 406 Cb -0.08 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3fki s LEU 406 CO 0.09 -0.13 0.65 -1.81 0.23 0.00 0.00 176.35 175.38 3fki s ASP 407 N 1.46 6.80 0.00 2.29 1.01 0.18 -4.50 116.67 123.91 3fki s ASP 407 Ca 0.03 0.97 0.00 0.00 0.71 0.00 0.00 52.55 54.26 3fki s ASP 407 Cb -0.16 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3fki s ASP 407 CO -0.00 -0.20 0.00 0.00 0.21 0.00 0.00 175.17 175.17 3fki n LEU 408 N 4.51 0.00 -0.01 1.23 -0.00 -1.26 -0.04 117.00 121.43 3fki n LEU 408 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3fki n LEU 408 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.92 3fki n LEU 408 CO 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 177.39 177.86 3fki n ALA 409 N -3.00 -0.02 -0.85 1.47 0.00 -1.26 -1.13 120.51 115.72 3fki n ALA 409 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3fki n ALA 409 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3fki n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fki n GLY 410 N -1.01 -2.94 0.51 0.00 0.00 -1.23 -1.39 105.19 99.13 3fki n GLY 410 Ca 0.00 0.07 0.33 0.00 0.00 0.00 0.00 46.02 46.41 3fki n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fki h PRO 411 N 0.00 0.00 -0.02 1.61 0.13 -1.78 0.81 132.00 132.74 3fki h PRO 411 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3fki h PRO 411 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fki h PRO 411 CO 0.00 0.00 -0.03 -0.07 -0.23 0.00 0.00 178.00 177.67 3fki h LEU 412 N 0.00 0.07 -1.59 1.56 3.38 -1.15 -1.36 115.31 116.22 3fki h LEU 412 Ca 0.51 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3fki h LEU 412 Cb 2.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 3fki h LEU 412 CO -0.01 0.58 -0.21 -0.07 0.09 0.00 0.00 178.44 178.82 3fki h LEU 413 N -0.44 0.00 -0.67 1.67 3.38 -0.11 -2.22 115.31 116.93 3fki h LEU 413 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3fki h LEU 413 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3fki h LEU 413 CO 0.01 0.21 -0.12 0.00 0.09 0.00 0.00 178.44 178.63 3fki h ALA 414 N 1.79 0.87 -0.43 1.53 0.00 -0.81 0.25 119.26 122.44 3fki h ALA 414 Ca -0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3fki h ALA 414 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3fki h ALA 414 CO 0.03 0.64 -0.15 0.37 0.00 0.00 0.00 179.25 180.14 3fki h GLN 415 N 0.81 0.80 -0.00 0.00 4.15 -0.67 -1.90 115.11 118.29 3fki h GLN 415 Ca 0.13 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 3fki h GLN 415 Cb 0.65 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3fki h GLN 415 CO 0.05 0.90 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.74 3fki h LEU 416 N 0.72 0.04 -0.60 -2.39 3.38 -1.31 -3.17 115.31 111.97 3fki h LEU 416 Ca 0.11 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.39 3fki h LEU 416 Cb 0.64 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3fki h LEU 416 CO 0.05 0.74 0.38 0.15 0.09 0.00 0.00 178.44 179.84 3fki h PHE 417 N -0.66 0.72 -0.20 1.13 3.57 -0.51 0.22 116.94 121.21 3fki h PHE 417 Ca -0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3fki h PHE 417 Cb 0.74 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3fki h PHE 417 CO 0.17 0.44 -0.01 0.87 -2.23 0.00 0.00 178.31 177.55 3fki h LYS 418 N 0.77 0.05 -0.47 1.11 1.57 -1.48 0.24 116.57 118.35 3fki h LYS 418 Ca 0.23 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3fki h LYS 418 Cb -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3fki h LYS 418 CO -0.07 0.03 -0.02 1.15 -0.57 0.00 0.00 179.45 179.97 3fki h THR 419 N 0.05 1.26 -0.14 -0.16 2.02 -1.39 -2.04 112.91 112.51 3fki h THR 419 Ca 0.09 -1.10 -0.17 0.00 0.77 0.00 0.00 66.41 66.00 3fki h THR 419 Cb 0.12 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3fki h THR 419 CO -0.17 0.38 -0.58 -0.07 0.37 0.00 0.00 175.52 175.45 3fki h LEU 420 N 0.70 0.76 -0.89 2.58 3.38 -0.46 -2.80 115.31 118.58 3fki h LEU 420 Ca 0.13 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 3fki h LEU 420 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fki h LEU 420 CO 0.03 1.25 -0.40 0.15 0.09 0.00 0.00 178.44 179.56 3fki h PHE 421 N 0.32 0.37 -0.18 1.13 3.57 -0.56 -1.81 116.94 119.79 3fki h PHE 421 Ca -0.03 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.24 3fki h PHE 421 Cb 1.21 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 3fki h PHE 421 CO 0.10 0.67 -0.45 0.87 -2.23 0.00 0.00 178.31 177.28 3fki h LYS 422 N 0.27 0.44 -0.23 1.11 1.57 -1.41 0.19 116.57 118.52 3fki h LYS 422 Ca 0.03 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 3fki h LYS 422 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3fki h LYS 422 CO 0.07 0.80 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.22 3fki h LYS 423 N 0.36 0.47 -0.48 3.15 3.64 -1.30 -2.40 116.57 120.00 3fki h LYS 423 Ca 0.03 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 3fki h LYS 423 Cb 0.93 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3fki h LYS 423 CO 0.08 0.73 -0.16 1.25 -2.27 0.00 0.00 179.45 179.08 3fki h LEU 424 N 0.41 0.98 -0.78 5.20 5.85 -0.97 -1.97 115.31 124.04 3fki h LEU 424 Ca 0.05 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.43 3fki h LEU 424 Cb 0.74 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3fki h LEU 424 CO 0.06 1.14 0.49 0.74 -0.34 0.00 0.00 178.44 180.53 3fki h THR 425 N 0.82 1.12 0.00 1.05 2.02 -0.35 -0.03 112.91 117.54 3fki h THR 425 Ca 0.12 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3fki h THR 425 Cb 0.73 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3fki h THR 425 CO 0.06 0.18 -0.08 2.29 0.37 0.00 0.00 175.52 178.33 3fki n LYS 426 N -4.61 0.22 0.08 6.66 2.85 -0.93 -2.40 118.16 120.04 3fki n LYS 426 Ca 0.09 0.16 -0.05 0.00 -1.05 0.00 0.00 58.31 57.47 3fki n LYS 426 Cb 0.09 -1.74 -0.06 0.00 -0.65 0.00 0.00 35.03 32.67 3fki n LYS 426 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3fki h ASP 427 N 0.00 0.00 0.27 -5.58 3.32 -0.44 -1.50 116.42 112.49 3fki h ASP 427 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3fki h ASP 427 Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3fki h ASP 427 CO 0.00 0.88 -0.66 0.40 -1.72 0.00 0.00 179.24 178.13 3fki h ILE 428 N 0.00 1.38 -0.35 0.35 2.04 -0.98 -3.23 117.51 116.72 3fki h ILE 428 Ca -0.01 -2.05 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 3fki h ILE 428 Cb 1.63 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 3fki h ILE 428 CO 0.11 0.61 0.02 0.15 0.00 0.00 0.00 178.15 179.04 3fki h PHE 429 N 0.26 0.66 0.00 1.37 3.04 -1.41 -2.84 116.94 118.02 3fki h PHE 429 Ca -0.02 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.83 3fki h PHE 429 Cb 1.21 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.54 3fki h PHE 429 CO 0.04 0.70 0.00 0.54 -2.02 0.00 0.00 178.31 177.57 3fki n ARG 430 N -4.53 0.54 -0.10 1.11 1.74 -0.57 -2.42 116.66 112.43 3fki n ARG 430 Ca -0.02 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 3fki n ARG 430 Cb 0.26 -1.45 -0.12 0.00 -1.02 0.00 0.00 32.46 30.13 3fki n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3fki n TYR 431 N -0.95 0.46 0.24 -1.55 9.36 -1.08 -4.32 117.16 119.32 3fki n TYR 431 Ca 0.12 0.15 0.13 0.00 3.32 0.00 0.00 57.90 61.61 3fki n TYR 431 Cb 0.05 -1.05 0.51 0.00 -0.63 0.00 0.00 39.34 38.22 3fki n TYR 431 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3fki h MET 432 N -0.57 0.00 0.00 2.98 2.86 -1.41 -2.86 114.93 115.93 3fki h MET 432 Ca -0.55 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 56.98 3fki h MET 432 Cb 1.69 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.33 3fki h MET 432 CO -0.21 0.14 -0.56 1.96 1.06 0.00 0.00 176.91 179.30 3fki h GLN 433 N 0.00 0.00 0.00 1.72 4.20 -1.70 -3.16 115.11 116.17 3fki h GLN 433 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fki h GLN 433 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3fki h GLN 433 CO 0.02 0.56 -0.40 0.00 -0.67 0.00 0.00 178.83 178.34 3fki h ARG 434 N 0.00 0.00 -6.21 1.46 3.08 -1.70 -3.46 114.38 107.55 3fki h ARG 434 Ca -0.01 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.48 3fki h ARG 434 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3fki h ARG 434 CO 0.07 0.00 0.87 0.99 -1.07 0.00 0.00 179.97 180.83 3fki s THR 435 N -3.22 4.18 -2.00 2.04 2.01 -1.19 -4.87 115.64 112.59 3fki s THR 435 Ca 0.05 1.46 0.17 0.00 0.31 0.00 0.00 61.69 63.68 3fki s THR 435 Cb 0.09 -3.94 0.11 0.00 0.01 0.00 0.00 72.50 68.77 3fki s THR 435 CO 0.70 -0.09 1.00 0.52 -0.69 0.00 0.00 174.62 176.06 3fki n VAL 436 N 5.17 0.00 -1.92 3.82 0.31 -1.26 -4.99 118.33 119.46 3fki n VAL 436 Ca 0.13 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3fki n VAL 436 Cb 0.45 1.32 0.00 0.00 -0.91 0.00 0.00 33.84 34.70 3fki n VAL 436 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3fki n GLU 437 N 0.74 3.98 0.00 5.55 0.28 -1.26 -5.16 120.64 124.78 3fki n GLU 437 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 3fki n GLU 437 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 3fki n GLU 437 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3fki n GLU 438 N 0.00 0.00 -3.45 3.44 4.07 -1.26 -5.09 120.64 118.35 3fki n GLU 438 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 3fki n GLU 438 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 3fki n GLU 438 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3fki n ALA 439 N -3.00 -2.65 0.00 4.31 0.00 -1.26 -4.94 120.51 112.97 3fki n ALA 439 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3fki n ALA 439 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3fki n ALA 439 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fki n HIS 440 N -1.62 0.00 -3.83 0.00 8.25 -1.26 -5.04 115.22 111.72 3fki n HIS 440 Ca -0.14 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.08 3fki n HIS 440 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 3fki n HIS 440 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3fki n ASP 441 N -0.02 -1.00 -3.66 0.41 2.03 -1.26 -2.51 116.55 110.54 3fki n ASP 441 Ca 0.00 -0.94 -0.22 0.00 0.52 0.00 0.00 54.79 54.15 3fki n ASP 441 Cb 0.00 -3.47 0.00 0.00 -0.72 0.00 0.00 41.12 36.93 3fki n ASP 441 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3fki n PHE 442 N -4.33 -2.25 -0.87 -0.67 3.72 -1.26 -4.62 117.46 107.18 3fki n PHE 442 Ca -0.29 0.91 0.00 0.00 -0.05 0.00 0.00 57.45 58.02 3fki n PHE 442 Cb 0.68 -2.87 0.00 0.00 -0.94 0.00 0.00 39.48 36.34 3fki n PHE 442 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3fki n ASN 443 N -2.25 -1.81 0.00 4.37 5.15 -1.12 -4.87 115.26 114.73 3fki n ASN 443 Ca -0.25 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 3fki n ASN 443 Cb 0.67 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 3fki n ASN 443 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 3fki n MET 444 N 0.29 0.00 0.00 1.20 0.00 -1.05 -5.06 117.12 112.50 3fki n MET 444 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 3fki n MET 444 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 33.22 33.17 3fki n MET 444 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3fki n LYS 445 N -1.76 1.04 -3.84 2.12 5.02 -1.26 -5.07 118.16 114.42 3fki n LYS 445 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 3fki n LYS 445 Cb 0.00 -0.88 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3fki n LYS 445 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fki n LEU 446 N -2.05 -2.72 0.00 -0.35 4.77 -1.26 -4.87 117.00 110.52 3fki n LEU 446 Ca 0.00 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3fki n LEU 446 Cb 0.38 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 3fki n LEU 446 CO 0.00 0.43 -0.27 0.00 -1.33 0.00 0.00 177.39 176.22 3fki n ALA 447 N -4.44 1.24 -2.61 -1.18 0.00 -1.26 -5.02 120.51 107.24 3fki n ALA 447 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3fki n ALA 447 Cb 0.62 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 3fki n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fki s ILE 448 N -1.24 4.71 -0.87 0.00 1.01 -1.26 -4.87 121.20 118.68 3fki s ILE 448 Ca 0.00 1.18 -0.23 0.00 0.00 0.00 0.00 60.65 61.60 3fki s ILE 448 Cb 0.00 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.31 3fki s ILE 448 CO 0.00 -0.37 1.27 0.21 0.00 0.00 0.00 174.94 176.05 3fki s ASN 449 N 1.72 6.38 0.00 3.58 2.47 -1.26 -4.87 114.94 122.96 3fki s ASN 449 Ca 0.35 -1.21 0.13 0.00 0.42 0.00 0.00 52.86 52.54 3fki s ASN 449 Cb -0.13 -2.51 0.66 0.00 -1.45 0.00 0.00 41.25 37.82 3fki s ASN 449 CO 0.15 -1.51 1.29 0.00 -3.72 0.00 0.00 177.10 173.31 3fki n ALA 450 N 8.42 1.79 0.12 1.71 0.00 -1.26 -2.59 120.51 128.70 3fki n ALA 450 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 3fki n ALA 450 Cb 0.49 -1.20 0.09 0.00 0.00 0.00 0.00 19.45 18.83 3fki n ALA 450 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3fki h LYS 451 N 0.00 0.00 -0.75 0.00 3.64 -1.98 -2.93 116.57 114.55 3fki h LYS 451 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3fki h LYS 451 Cb 0.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3fki h LYS 451 CO 0.00 0.67 0.43 1.15 -2.27 0.00 0.00 179.45 179.43 3fki h THR 452 N 0.00 1.22 0.05 1.00 2.02 -1.93 0.40 112.91 115.68 3fki h THR 452 Ca -0.01 -0.52 -0.26 0.00 0.77 0.00 0.00 66.41 66.39 3fki h THR 452 Cb 1.31 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3fki h THR 452 CO 0.09 0.24 -1.08 0.40 0.37 0.00 0.00 175.52 175.54 3fki h ILE 453 N 1.03 1.38 0.61 3.11 5.03 -1.78 -2.85 117.51 124.04 3fki h ILE 453 Ca 0.27 -2.55 -0.03 0.00 -0.12 0.00 0.00 64.86 62.43 3fki h ILE 453 Cb 0.00 2.58 0.01 0.00 -3.03 0.00 0.00 36.82 36.38 3fki h ILE 453 CO -0.05 0.76 -0.29 0.74 -0.68 0.00 0.00 178.15 178.63 3fki h THR 454 N 0.23 0.00 0.00 -0.27 2.02 -1.27 -3.05 112.91 110.56 3fki h THR 454 Ca -0.12 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 3fki h THR 454 Cb 1.74 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3fki h THR 454 CO 0.19 0.00 -0.44 0.77 0.37 0.00 0.00 175.52 176.41 3fki h SER 455 N -1.19 0.00 -0.40 4.18 4.64 -0.37 -2.34 113.55 118.06 3fki h SER 455 Ca -0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3fki h SER 455 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 3fki h SER 455 CO 0.14 0.44 0.17 1.23 -0.87 0.00 0.00 176.83 177.94 3fki h GLY 456 N 1.56 0.64 1.62 -0.77 0.00 -1.60 0.83 103.07 105.35 3fki h GLY 456 Ca -0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3fki h GLY 456 CO 0.06 0.32 -0.57 1.41 0.00 0.00 0.00 176.54 177.75 3fki h LEU 457 N 0.50 0.44 -0.22 3.11 3.38 -1.44 -2.24 115.31 118.84 3fki h LEU 457 Ca 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3fki h LEU 457 Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3fki h LEU 457 CO -0.01 0.92 0.07 0.11 0.09 0.00 0.00 178.44 179.61 3fki h LYS 458 N 0.30 0.35 -0.56 1.13 1.57 -1.25 -2.57 116.57 115.54 3fki h LYS 458 Ca 0.00 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3fki h LYS 458 Cb 1.09 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3fki h LYS 458 CO 0.10 0.45 0.07 -0.92 -0.57 0.00 0.00 179.45 178.57 3fki h TYR 459 N 0.19 0.95 -0.07 -1.35 3.20 -0.82 -2.44 116.97 116.63 3fki h TYR 459 Ca 0.07 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3fki h TYR 459 Cb 0.24 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 3fki h TYR 459 CO 0.00 0.82 -0.00 0.00 -1.64 0.00 0.00 178.16 177.35 3fki h ALA 460 N 1.22 0.09 -0.01 1.82 0.00 -1.37 -3.01 119.26 118.01 3fki h ALA 460 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fki h ALA 460 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fki h ALA 460 CO 0.01 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.32 3fki n LEU 461 N -4.85 0.44 0.00 0.00 4.32 -0.97 -0.03 117.00 115.91 3fki n LEU 461 Ca -0.07 -0.15 0.10 0.00 -0.02 0.00 0.00 56.01 55.87 3fki n LEU 461 Cb 0.20 -0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 41.90 3fki n LEU 461 CO 0.35 0.08 -0.07 0.00 -1.22 0.00 0.00 177.39 176.53 3fki n ALA 462 N -0.63 4.48 0.10 -1.18 0.00 -0.92 -4.78 120.51 117.59 3fki n ALA 462 Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3fki n ALA 462 Cb 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3fki n ALA 462 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fki n THR 463 N -1.58 0.57 0.00 0.00 -1.04 -1.14 -5.06 114.28 106.04 3fki n THR 463 Ca 0.03 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3fki n THR 463 Cb 0.35 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3fki n THR 463 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fki n GLY 464 N 2.43 1.23 3.55 3.41 0.00 0.96 -4.64 105.19 112.12 3fki n GLY 464 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3fki n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fki s ASN 465 N -1.03 6.50 0.00 1.61 0.01 -1.25 -4.47 114.94 116.32 3fki s ASN 465 Ca 0.00 -1.49 0.00 0.00 -0.71 0.00 0.00 52.86 50.66 3fki s ASN 465 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3fki s ASN 465 CO 0.00 -1.46 0.02 0.79 -1.51 0.00 0.00 177.10 174.94 3fki n TRP 466 N 8.61 0.00 0.00 2.20 5.03 -1.26 -4.32 117.44 127.70 3fki n TRP 466 Ca 0.31 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.84 3fki n TRP 466 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.79 3fki n TRP 466 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3fki n GLY 467 N 1.88 0.00 2.53 6.99 0.00 -1.26 -3.47 105.19 111.86 3fki n GLY 467 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3fki n GLY 467 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fki n GLU 468 N 0.00 0.42 0.00 1.61 4.07 -1.26 -5.03 120.64 120.45 3fki n GLU 468 Ca 0.00 -2.64 0.00 0.00 -0.06 0.00 0.00 57.16 54.46 3fki n GLU 468 Cb 0.00 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 3fki n GLU 468 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3fki n GLN 469 N 2.61 0.00 0.00 5.31 6.02 -1.23 -3.17 117.38 126.93 3fki n GLN 469 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3fki n GLN 469 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 3fki n GLN 469 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3fki n LYS 470 N 0.00 0.78 -0.16 -1.09 2.85 -1.26 -4.82 118.16 114.47 3fki n LYS 470 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3fki n LYS 470 Cb 0.00 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 3fki n LYS 470 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3fki n LYS 471 N -0.44 1.03 -3.53 -1.58 5.02 -1.19 -4.63 118.16 112.85 3fki n LYS 471 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3fki n LYS 471 Cb 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.91 3fki n LYS 471 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fki s ALA 472 N -3.34 1.55 -0.25 7.82 0.00 -1.24 -4.67 121.76 121.62 3fki s ALA 472 Ca 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 51.96 49.59 3fki s ALA 472 Cb 0.00 -1.70 0.14 0.00 0.00 0.00 0.00 23.12 21.56 3fki s ALA 472 CO 0.00 -2.05 0.39 0.00 0.00 0.00 0.00 175.76 174.10 3fki s MET 473 N 0.42 0.37 0.00 0.00 0.00 -1.26 -4.11 119.30 114.71 3fki s MET 473 Ca 0.23 0.50 0.22 0.00 0.00 0.00 0.00 55.69 56.63 3fki s MET 473 Cb -0.13 -0.42 0.21 0.00 0.00 0.00 0.00 34.83 34.49 3fki s MET 473 CO -0.07 -0.69 1.21 -1.13 0.00 0.00 0.00 175.02 174.34 3fki n SER 474 N 5.37 2.89 -3.79 -1.18 3.41 -1.26 -4.96 113.62 114.11 3fki n SER 474 Ca -0.03 -1.91 -0.36 0.00 -0.26 0.00 0.00 58.87 56.31 3fki n SER 474 Cb 0.50 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3fki n SER 474 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fki n SER 475 N 1.24 5.13 -3.15 4.04 3.41 -1.26 -4.75 113.62 118.28 3fki n SER 475 Ca 0.14 -3.39 0.04 0.00 -0.26 0.00 0.00 58.87 55.40 3fki n SER 475 Cb 0.55 -1.01 -0.00 0.00 -0.26 0.00 0.00 64.21 63.49 3fki n SER 475 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fki s ARG 476 N -2.51 0.43 0.00 4.33 0.52 -1.26 -4.94 118.95 115.53 3fki s ARG 476 Ca 0.34 0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.99 3fki s ARG 476 Cb 0.07 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.75 3fki s ARG 476 CO 0.03 -0.80 0.00 0.00 0.02 0.00 0.00 175.30 174.55 3fki n ALA 477 N 5.33 0.20 0.00 2.13 0.00 -1.26 -3.67 120.51 123.24 3fki n ALA 477 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3fki n ALA 477 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3fki n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fki n GLY 478 N 4.48 1.98 3.75 0.00 0.00 -1.26 -4.90 105.19 109.24 3fki n GLY 478 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3fki n GLY 478 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 479 N 0.00 2.89 -0.35 1.61 1.01 -1.26 -4.64 120.40 119.66 3fki s VAL 479 Ca 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 3fki s VAL 479 Cb 0.00 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3fki s VAL 479 CO 0.00 -0.38 0.28 -0.24 0.00 0.00 0.00 175.10 174.76 3fki n SER 480 N -3.71 -7.69 -4.56 3.32 2.88 -1.24 -3.91 113.62 98.70 3fki n SER 480 Ca 0.07 0.95 -0.28 0.00 -1.33 0.00 0.00 58.87 58.29 3fki n SER 480 Cb 0.55 -5.15 -0.10 0.00 -0.75 0.00 0.00 64.21 58.77 3fki n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3fki s GLN 481 N -2.02 2.05 0.29 -1.46 -0.21 -0.42 -4.59 119.66 113.31 3fki s GLN 481 Ca 0.12 -1.19 -0.29 0.00 0.02 0.00 0.00 55.36 54.01 3fki s GLN 481 Cb -0.03 -2.20 -0.10 0.00 1.00 0.00 0.00 33.01 31.68 3fki s GLN 481 CO 0.74 0.46 1.41 0.14 -2.12 0.00 0.00 175.29 175.92 3fki s VAL 482 N -1.51 2.56 0.16 1.09 -7.23 -1.26 -0.24 120.40 113.98 3fki s VAL 482 Ca 0.23 0.51 -0.32 0.00 -1.81 0.00 0.00 61.98 60.60 3fki s VAL 482 Cb -0.10 -3.33 -0.10 0.00 0.56 0.00 0.00 36.38 33.41 3fki s VAL 482 CO 0.14 0.10 1.65 -0.22 -0.31 0.00 0.00 175.10 176.46 3fki s LEU 483 N -1.07 4.37 -0.20 1.32 2.96 -0.99 -4.82 118.68 120.26 3fki s LEU 483 Ca 0.55 2.70 -0.29 0.00 -0.22 0.00 0.00 54.13 56.87 3fki s LEU 483 Cb -0.42 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.64 3fki s LEU 483 CO 0.49 -0.90 1.82 0.20 -1.32 0.00 0.00 176.35 176.65 3fki s ASN 484 N 1.44 6.11 -0.07 3.68 -0.87 -1.26 -4.85 114.94 119.12 3fki s ASN 484 Ca 0.73 1.77 0.13 0.00 -1.57 0.00 0.00 52.86 53.91 3fki s ASN 484 Cb -0.45 -2.53 0.25 0.00 -0.02 0.00 0.00 41.25 38.49 3fki s ASN 484 CO 0.32 -1.45 1.12 -1.14 -2.57 0.00 0.00 177.10 173.37 3fki n ARG 485 N 8.00 0.65 -0.03 -0.60 3.00 -1.26 -3.74 116.66 122.68 3fki n ARG 485 Ca 0.22 -2.06 -0.15 0.00 -0.00 0.00 0.00 57.85 55.85 3fki n ARG 485 Cb 0.45 -0.88 -0.09 0.00 0.00 0.00 0.00 32.46 31.94 3fki n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3fki h TYR 486 N 0.38 0.57 -3.57 -0.14 -1.99 -1.88 -3.45 116.97 106.88 3fki h TYR 486 Ca -0.05 -0.25 -0.15 0.00 2.00 0.00 0.00 58.73 60.29 3fki h TYR 486 Cb 1.32 -0.09 -0.21 0.00 2.00 0.00 0.00 36.73 39.75 3fki h TYR 486 CO 0.20 1.00 -0.51 0.99 -0.00 0.00 0.00 178.16 179.84 3fki s THR 487 N -3.68 0.09 0.34 -2.88 2.01 -1.26 -4.24 115.64 106.02 3fki s THR 487 Ca -0.14 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.19 3fki s THR 487 Cb 0.05 -0.43 0.29 0.00 0.01 0.00 0.00 72.50 72.42 3fki s THR 487 CO 0.80 -0.40 1.93 0.22 -0.69 0.00 0.00 174.62 176.48 3fki h TYR 488 N 4.29 0.86 -0.65 4.92 3.20 -1.73 -2.17 116.97 125.68 3fki h TYR 488 Ca -0.31 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.55 3fki h TYR 488 Cb 1.20 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 3fki h TYR 488 CO 0.60 0.43 0.28 0.66 -1.64 0.00 0.00 178.16 178.49 3fki h SER 489 N 0.83 0.88 0.26 -2.11 4.64 -1.91 -2.81 113.55 113.33 3fki h SER 489 Ca 0.36 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3fki h SER 489 Cb 0.31 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3fki h SER 489 CO -0.13 0.79 -0.33 -1.28 -0.87 0.00 0.00 176.83 175.01 3fki h SER 490 N 0.91 0.11 -0.14 4.97 0.87 -1.68 -3.01 113.55 115.58 3fki h SER 490 Ca 0.22 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3fki h SER 490 Cb 0.17 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3fki h SER 490 CO -0.02 0.44 0.09 0.74 -0.53 0.00 0.00 176.83 177.55 3fki h THR 491 N 0.10 1.04 -0.19 2.23 2.02 -1.20 -1.36 112.91 115.55 3fki h THR 491 Ca 0.01 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 3fki h THR 491 Cb 0.64 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3fki h THR 491 CO 0.05 0.04 -0.17 -0.07 0.37 0.00 0.00 175.52 175.74 3fki h LEU 492 N 0.18 0.31 -0.66 2.58 3.38 -1.47 -2.30 115.31 117.34 3fki h LEU 492 Ca 0.05 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3fki h LEU 492 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fki h LEU 492 CO -0.01 0.50 -0.56 -1.28 0.09 0.00 0.00 178.44 177.19 3fki h SER 493 N 0.30 0.37 0.74 -0.43 0.87 -1.36 -2.74 113.55 111.30 3fki h SER 493 Ca 0.06 -0.20 -0.15 0.00 -1.23 0.00 0.00 61.79 60.27 3fki h SER 493 Cb 0.48 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3fki h SER 493 CO 0.03 0.85 -0.72 -0.74 -0.53 0.00 0.00 176.83 175.73 3fki h HIS 494 N 0.25 0.00 0.00 2.24 -0.00 -0.86 -3.08 115.15 113.70 3fki h HIS 494 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 3fki h HIS 494 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 3fki h HIS 494 CO 0.03 0.72 -0.49 -0.07 -0.00 0.00 0.00 177.93 178.11 3fki h LEU 495 N 0.00 0.00 -5.42 0.26 3.38 -1.38 -3.29 115.31 108.86 3fki h LEU 495 Ca -0.01 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.27 3fki h LEU 495 Cb 1.28 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.69 3fki h LEU 495 CO 0.09 0.49 0.20 0.54 0.09 0.00 0.00 178.44 179.85 3fki n ARG 496 N -3.40 3.91 -4.39 1.13 1.74 -1.04 -4.93 116.66 109.68 3fki n ARG 496 Ca 0.01 -4.50 -0.23 0.00 -0.77 0.00 0.00 57.85 52.35 3fki n ARG 496 Cb 0.64 -2.32 -0.11 0.00 -1.02 0.00 0.00 32.46 29.65 3fki n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3fki s ARG 497 N -3.88 1.45 -0.02 5.56 3.52 -1.22 -2.35 118.95 122.00 3fki s ARG 497 Ca 0.46 -1.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.51 3fki s ARG 497 Cb 0.30 -1.56 0.02 0.00 -1.56 0.00 0.00 34.95 32.16 3fki s ARG 497 CO -0.20 0.31 0.01 0.99 -0.81 0.00 0.00 175.30 175.60 3fki s THR 498 N -2.17 0.06 -0.02 4.11 2.01 0.16 -2.61 115.64 117.18 3fki s THR 498 Ca 0.21 0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 3fki s THR 498 Cb -0.06 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 3fki s THR 498 CO 0.10 0.10 0.30 0.21 -0.69 0.00 0.00 174.62 174.63 3fki s ASN 499 N 0.83 6.59 -0.70 3.53 3.84 0.73 -0.38 114.94 129.38 3fki s ASN 499 Ca -0.08 0.70 0.01 0.00 0.21 0.00 0.00 52.86 53.71 3fki s ASN 499 Cb -0.11 -2.15 0.17 0.00 -0.55 0.00 0.00 41.25 38.62 3fki s ASN 499 CO -0.02 0.30 0.51 -0.89 -2.79 0.00 0.00 177.10 174.22 3fki s THR 500 N -1.18 3.41 -0.18 -5.21 2.01 -0.03 -0.48 115.64 113.98 3fki s THR 500 Ca 0.24 -3.69 -0.04 0.00 0.31 0.00 0.00 61.69 58.51 3fki s THR 500 Cb -0.14 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3fki s THR 500 CO 0.12 -0.96 0.44 -2.65 -0.69 0.00 0.00 174.62 170.89 3fki n PRO 501 N 2.63 0.00 -1.61 4.92 -0.02 -1.25 -4.54 135.00 135.13 3fki n PRO 501 Ca 0.15 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.17 3fki n PRO 501 Cb 0.36 -0.23 -0.02 0.00 -0.02 0.00 0.00 33.50 33.59 3fki n PRO 501 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3fki n ILE 502 N 1.19 1.68 0.00 4.25 3.06 -1.26 -4.94 119.36 123.34 3fki n ILE 502 Ca 0.12 -0.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 3fki n ILE 502 Cb 0.01 -1.09 0.00 0.00 0.54 0.00 0.00 39.64 39.10 3fki n ILE 502 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3fki n GLY 503 N 1.41 -0.93 1.02 4.50 0.00 -1.26 -4.26 105.19 105.67 3fki n GLY 503 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3fki n GLY 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fki n ARG 504 N -0.54 0.00 -2.40 1.61 5.12 -1.26 -4.48 116.66 114.71 3fki n ARG 504 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 3fki n ARG 504 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 3fki n ARG 504 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3fki s ASP 505 N -0.68 6.97 -1.01 0.55 1.01 -1.26 -4.44 116.67 117.81 3fki s ASP 505 Ca 0.00 1.81 -0.13 0.00 0.71 0.00 0.00 52.55 54.94 3fki s ASP 505 Cb 0.00 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.51 3fki s ASP 505 CO 0.00 -0.69 0.32 0.61 0.21 0.00 0.00 175.17 175.62 3fki n GLY 506 N 3.53 -0.26 3.63 0.21 0.00 -1.26 -4.84 105.19 106.20 3fki n GLY 506 Ca 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 3fki n GLY 506 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fki s LYS 507 N -4.67 0.54 -0.16 1.61 2.20 -1.26 -5.16 119.74 112.84 3fki s LYS 507 Ca 0.45 0.99 -0.04 0.00 -0.36 0.00 0.00 55.97 57.01 3fki s LYS 507 Cb -0.26 0.20 0.06 0.00 -1.51 0.00 0.00 37.83 36.32 3fki s LYS 507 CO 0.55 -0.12 0.07 -0.48 -0.36 0.00 0.00 175.35 175.01 3fki s LEU 508 N 1.70 0.60 0.00 5.43 0.05 -1.26 -4.58 118.68 120.62 3fki s LEU 508 Ca -0.09 -0.59 0.00 0.00 0.05 0.00 0.00 54.13 53.51 3fki s LEU 508 Cb -0.05 -0.35 0.00 0.00 -2.05 0.00 0.00 46.19 43.73 3fki s LEU 508 CO -0.18 -0.32 0.00 0.00 -0.55 0.00 0.00 176.35 175.30 3fki n ALA 509 N 5.20 0.00 -2.78 1.48 0.00 -1.26 -5.13 120.51 118.02 3fki n ALA 509 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 3fki n ALA 509 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 3fki n ALA 509 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3fki s LYS 510 N 4.16 0.57 0.00 0.00 -2.85 -1.26 -5.13 119.74 115.24 3fki s LYS 510 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 3fki s LYS 510 Cb 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 3fki s LYS 510 CO 0.00 -0.73 0.00 -0.35 0.10 0.00 0.00 175.35 174.37 3fki n PRO 511 N 3.09 3.60 0.00 1.78 -0.04 -1.26 -4.96 135.00 137.21 3fki n PRO 511 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3fki n PRO 511 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 3fki n PRO 511 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fki n ARG 512 N 0.00 0.00 0.00 0.54 1.74 -1.26 -5.06 116.66 112.62 3fki n ARG 512 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3fki n ARG 512 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3fki n ARG 512 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fki n GLN 513 N 0.00 3.65 -3.58 5.56 10.64 -1.26 -3.86 117.38 128.53 3fki n GLN 513 Ca 0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 3fki n GLN 513 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 3fki n GLN 513 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3fki s LEU 514 N 0.00 5.73 0.69 2.61 2.96 -1.26 -5.04 118.68 124.38 3fki s LEU 514 Ca 0.00 -2.37 -0.12 0.00 -0.22 0.00 0.00 54.13 51.42 3fki s LEU 514 Cb 0.00 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.71 3fki s LEU 514 CO 0.00 -0.56 1.07 -2.28 -1.32 0.00 0.00 176.35 173.26 3fki s HIS 515 N 0.67 2.98 0.33 5.38 5.65 -1.26 -4.95 115.29 124.09 3fki s HIS 515 Ca 0.12 1.47 0.07 0.00 0.25 0.00 0.00 55.06 56.96 3fki s HIS 515 Cb -0.21 -2.94 0.75 0.00 -1.18 0.00 0.00 32.58 29.00 3fki s HIS 515 CO -0.03 -1.32 1.85 -0.91 -0.65 0.00 0.00 174.74 173.67 3fki h ASN 516 N -0.56 0.74 0.78 9.88 4.21 -1.98 -1.85 115.58 126.80 3fki h ASN 516 Ca -0.44 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.12 3fki h ASN 516 Cb 1.22 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 3fki h ASN 516 CO 0.56 0.36 0.00 0.35 -1.29 0.00 0.00 177.43 177.41 3fki n THR 517 N -4.60 0.71 1.10 2.81 -2.24 -1.26 -2.82 114.28 107.99 3fki n THR 517 Ca 0.19 0.13 0.09 0.00 -2.27 0.00 0.00 64.05 62.19 3fki n THR 517 Cb 0.46 -0.90 0.54 0.00 -2.10 0.00 0.00 70.33 68.33 3fki n THR 517 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fki n HIS 518 N -1.80 0.00 -1.83 4.78 8.25 -0.70 -4.82 115.22 119.11 3fki n HIS 518 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 3fki n HIS 518 Cb 0.25 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 3fki n HIS 518 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3fki s TRP 519 N -2.17 2.64 0.00 4.41 -0.11 -1.13 -2.06 118.94 120.53 3fki s TRP 519 Ca 0.25 0.32 0.00 0.00 1.22 0.00 0.00 56.10 57.90 3fki s TRP 519 Cb 0.13 -4.05 0.00 0.00 -1.50 0.00 0.00 33.47 28.05 3fki s TRP 519 CO 0.24 -4.10 0.00 0.41 -4.62 0.00 0.00 176.95 168.88 3fki n GLY 520 N 3.98 0.34 0.31 5.86 0.00 -1.26 -4.68 105.19 109.75 3fki n GLY 520 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3fki n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fki n LEU 521 N 0.00 1.80 -4.40 0.99 4.77 -1.17 -4.50 117.00 114.49 3fki n LEU 521 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 3fki n LEU 521 Cb 0.13 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 3fki n LEU 521 CO 0.00 0.28 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.15 3fki s VAL 522 N -1.86 2.70 0.17 4.08 1.01 -0.88 -0.33 120.40 125.30 3fki s VAL 522 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 61.98 60.81 3fki s VAL 522 Cb 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 36.38 34.23 3fki s VAL 522 CO 0.00 0.58 1.78 0.00 0.00 0.00 0.00 175.10 177.46 3fki h PRO 524 N 7.60 0.00 0.00 0.00 0.13 -1.90 -3.35 132.00 134.48 3fki h PRO 524 Ca -0.44 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 3fki h PRO 524 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 3fki h PRO 524 CO 0.96 0.17 -2.35 0.00 -0.23 0.00 0.00 178.00 176.55 3fki n ALA 525 N -2.21 1.47 -2.34 -0.56 0.00 -1.26 -4.97 120.51 110.64 3fki n ALA 525 Ca -0.00 -1.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.01 3fki n ALA 525 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 3fki n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fki s GLU 526 N -2.47 3.82 -0.28 0.00 2.12 -1.26 -4.27 118.70 116.38 3fki s GLU 526 Ca -0.32 1.27 -0.24 0.00 0.36 0.00 0.00 54.97 56.04 3fki s GLU 526 Cb 0.09 -3.94 0.09 0.00 0.26 0.00 0.00 34.13 30.64 3fki s GLU 526 CO 0.52 -1.24 0.86 -0.08 -0.54 0.00 0.00 175.26 174.78 3fki s THR 527 N 4.76 0.00 0.44 -1.70 -1.32 -1.26 -4.45 115.64 112.10 3fki s THR 527 Ca 0.60 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.83 3fki s THR 527 Cb -0.18 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.72 3fki s THR 527 CO 0.26 0.00 1.37 -0.81 -2.21 0.00 0.00 174.62 173.23 3fki n PRO 528 N 2.62 2.12 -2.26 7.08 -0.04 -1.26 -4.80 135.00 138.45 3fki n PRO 528 Ca -0.14 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.65 3fki n PRO 528 Cb 0.56 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3fki n PRO 528 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fki s GLU 529 N -2.36 4.03 3.39 0.54 2.02 -1.26 -4.12 118.70 120.95 3fki s GLU 529 Ca 0.61 1.68 0.00 0.00 0.02 0.00 0.00 54.97 57.28 3fki s GLU 529 Cb -0.47 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 29.85 3fki s GLU 529 CO 0.58 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 175.28 3fki n GLY 530 N 4.15 0.37 5.99 -1.39 0.00 -1.26 -4.80 105.19 108.25 3fki n GLY 530 Ca 0.16 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3fki n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fki n GLN 531 N 0.00 0.00 -2.16 1.61 10.64 -1.26 -0.02 117.38 126.19 3fki n GLN 531 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 3fki n GLN 531 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 3fki n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3fki n ALA 532 N 4.47 5.47 -1.95 2.61 0.00 -1.26 -5.05 120.51 124.80 3fki n ALA 532 Ca 0.00 -4.09 -0.42 0.00 0.00 0.00 0.00 53.44 48.93 3fki n ALA 532 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 3fki n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fki n GLY 534 N 2.95 2.80 0.00 0.00 0.00 -1.25 -4.77 105.19 104.92 3fki n GLY 534 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3fki n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fki n LEU 535 N 0.00 0.40 -4.28 0.99 4.77 -1.09 -4.57 117.00 113.21 3fki n LEU 535 Ca 0.00 0.14 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 3fki n LEU 535 Cb 0.00 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 40.65 3fki n LEU 535 CO 0.00 0.08 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.09 3fki s VAL 536 N -3.01 3.37 0.04 4.08 1.01 -1.24 -0.85 120.40 123.80 3fki s VAL 536 Ca 0.11 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3fki s VAL 536 Cb 0.18 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3fki s VAL 536 CO 0.66 0.25 -0.11 -0.54 0.00 0.00 0.00 175.10 175.36 3fki s LYS 537 N 1.43 2.32 -0.15 2.72 -0.14 0.49 -4.66 119.74 121.76 3fki s LYS 537 Ca 0.03 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 53.77 3fki s LYS 537 Cb -0.16 -2.37 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 3fki s LYS 537 CO -0.02 0.56 -0.12 -0.80 -0.76 0.00 0.00 175.35 174.22 3fki s ASN 538 N -1.58 4.07 0.44 2.83 0.01 -1.26 0.40 114.94 119.85 3fki s ASN 538 Ca 0.17 -0.33 -0.25 0.00 -0.71 0.00 0.00 52.86 51.74 3fki s ASN 538 Cb -0.11 -1.63 -0.08 0.00 0.41 0.00 0.00 41.25 39.84 3fki s ASN 538 CO 0.08 0.14 1.30 -0.76 -1.51 0.00 0.00 177.10 176.35 3fki s LEU 539 N 0.53 4.11 0.68 0.60 1.43 -0.99 -0.03 118.68 125.02 3fki s LEU 539 Ca -0.08 2.65 -0.14 0.00 -1.03 0.00 0.00 54.13 55.53 3fki s LEU 539 Cb -0.15 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.06 3fki s LEU 539 CO 0.04 -1.01 1.10 -0.44 0.23 0.00 0.00 176.35 176.26 3fki s SER 540 N -0.84 5.02 0.25 2.29 0.01 0.56 -4.32 113.70 116.66 3fki s SER 540 Ca 0.61 1.92 -0.06 0.00 1.31 0.00 0.00 55.95 59.73 3fki s SER 540 Cb -0.38 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 63.57 3fki s SER 540 CO 0.47 -1.69 1.90 -0.07 0.41 0.00 0.00 173.24 174.26 3fki h LEU 541 N -0.27 1.12 0.00 2.44 3.38 -1.46 -2.79 115.31 117.72 3fki h LEU 541 Ca -0.46 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3fki h LEU 541 Cb 1.24 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3fki h LEU 541 CO 0.54 0.86 -0.59 0.24 0.09 0.00 0.00 178.44 179.57 3fki h MET 542 N 1.28 0.00 -6.80 1.13 2.86 -1.87 -3.46 114.93 108.07 3fki h MET 542 Ca 0.33 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.47 3fki h MET 542 Cb -0.06 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.63 3fki h MET 542 CO -0.06 0.00 0.50 -1.54 1.06 0.00 0.00 176.91 176.87 3fki s SER 543 N -4.92 7.20 0.10 1.22 1.04 -1.06 -4.51 113.70 112.77 3fki s SER 543 Ca 0.05 2.31 0.05 0.00 0.48 0.00 0.00 55.95 58.84 3fki s SER 543 Cb 0.11 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 3fki s SER 543 CO 0.72 -0.21 -0.13 0.00 0.98 0.00 0.00 173.24 174.60 3fki s ILE 545 N -1.95 5.13 0.10 0.00 1.01 -1.26 -1.03 121.20 123.20 3fki s ILE 545 Ca 0.05 0.77 -0.31 0.00 0.00 0.00 0.00 60.65 61.16 3fki s ILE 545 Cb -0.06 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3fki s ILE 545 CO 0.02 0.51 1.52 -0.94 0.00 0.00 0.00 174.94 176.05 3fki s SER 546 N -0.53 6.69 0.04 3.58 1.04 0.33 -4.91 113.70 119.95 3fki s SER 546 Ca 0.22 2.42 0.24 0.00 0.48 0.00 0.00 55.95 59.31 3fki s SER 546 Cb -0.15 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.63 3fki s SER 546 CO 0.11 -0.78 1.21 0.55 0.98 0.00 0.00 173.24 175.30 3fki n VAL 547 N 4.31 0.12 -0.02 5.02 3.14 -1.26 -1.29 118.33 128.34 3fki n VAL 547 Ca 0.14 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3fki n VAL 547 Cb 0.41 0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 3fki n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fki n GLY 548 N 1.43 -2.84 0.00 7.55 0.00 -1.26 -4.61 105.19 105.47 3fki n GLY 548 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3fki n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fki n THR 549 N -1.43 0.00 -4.20 2.61 -1.04 -0.89 -4.92 114.28 104.41 3fki n THR 549 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 3fki n THR 549 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.35 3fki n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3fki s ASP 550 N 1.00 1.50 0.40 8.00 3.68 -1.26 -4.99 116.67 125.00 3fki s ASP 550 Ca 0.00 -0.21 0.21 0.00 2.13 0.00 0.00 52.55 54.69 3fki s ASP 550 Cb 0.00 -0.64 0.45 0.00 -1.45 0.00 0.00 42.92 41.29 3fki s ASP 550 CO 0.00 -0.05 1.63 1.55 0.13 0.00 0.00 175.17 178.43 3fki h PRO 551 N 7.43 0.00 -0.39 4.34 0.13 -2.02 -3.38 132.00 138.10 3fki h PRO 551 Ca -0.32 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.87 3fki h PRO 551 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3fki h PRO 551 CO 0.44 0.22 0.08 0.52 -0.23 0.00 0.00 178.00 179.02 3fki h MET 552 N 0.00 0.20 0.00 0.86 2.86 -1.99 -0.63 114.93 116.24 3fki h MET 552 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fki h MET 552 Cb 1.04 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3fki h MET 552 CO 0.03 0.13 0.00 -0.35 1.06 0.00 0.00 176.91 177.78 3fki n PRO 553 N -5.09 0.42 -0.10 -0.22 -0.04 -1.26 -1.78 135.00 126.93 3fki n PRO 553 Ca 0.02 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 3fki n PRO 553 Cb 0.18 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 3fki n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3fki n ILE 554 N -1.07 1.14 -0.05 0.52 -0.00 -0.59 -4.00 119.36 115.31 3fki n ILE 554 Ca 0.11 -0.41 -0.11 0.00 -0.00 0.00 0.00 62.75 62.34 3fki n ILE 554 Cb 0.07 -1.29 -0.04 0.00 -0.00 0.00 0.00 39.64 38.38 3fki n ILE 554 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 3fki h ILE 555 N -0.11 1.13 -0.09 1.39 2.04 -0.89 0.28 117.51 121.26 3fki h ILE 555 Ca -0.46 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 3fki h ILE 555 Cb 1.65 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3fki h ILE 555 CO -0.11 0.13 -0.22 0.74 0.00 0.00 0.00 178.15 178.69 3fki h THR 556 N 0.19 1.20 -0.13 -0.27 2.02 -1.61 -2.71 112.91 111.61 3fki h THR 556 Ca 0.07 -0.94 -0.20 0.00 0.77 0.00 0.00 66.41 66.10 3fki h THR 556 Cb 0.12 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3fki h THR 556 CO -0.01 0.28 -0.75 0.15 0.37 0.00 0.00 175.52 175.56 3fki h PHE 557 N 0.14 0.85 -0.37 3.16 3.57 -1.58 -3.28 116.94 119.42 3fki h PHE 557 Ca 0.02 -0.37 -0.15 0.00 3.53 0.00 0.00 57.97 61.00 3fki h PHE 557 Cb 0.47 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3fki h PHE 557 CO 0.00 1.17 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.82 3fki h LEU 558 N 0.43 0.92 -1.29 0.59 3.38 -0.22 -2.90 115.31 116.22 3fki h LEU 558 Ca -0.04 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3fki h LEU 558 Cb 1.35 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3fki h LEU 558 CO 0.14 1.18 0.00 0.77 0.09 0.00 0.00 178.44 180.62 3fki h SER 559 N 0.71 0.00 0.71 -0.43 4.64 -1.58 -2.71 113.55 114.88 3fki h SER 559 Ca 0.06 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.17 3fki h SER 559 Cb 0.94 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 3fki h SER 559 CO 0.09 0.00 -1.42 -0.33 -0.87 0.00 0.00 176.83 174.30 3fki h GLU 560 N 0.00 0.00 -0.14 4.77 5.08 -1.57 -3.35 114.58 119.36 3fki h GLU 560 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fki h GLU 560 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3fki h GLU 560 CO 0.00 0.44 0.00 0.91 -1.00 0.00 0.00 179.01 179.36 3fki n TRP 561 N -3.01 0.17 0.00 4.33 5.03 -1.04 -4.91 117.44 118.01 3fki n TRP 561 Ca -0.11 -0.09 0.00 0.00 3.03 0.00 0.00 57.50 60.34 3fki n TRP 561 Cb 0.92 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 31.20 3fki n TRP 561 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3fki n GLY 562 N 1.22 0.99 3.53 6.99 0.00 -1.15 -5.04 105.19 111.73 3fki n GLY 562 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fki n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fki s MET 563 N 0.01 3.47 -0.24 1.61 0.00 -1.11 -4.40 119.30 118.64 3fki s MET 563 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 55.69 54.76 3fki s MET 563 Cb 0.00 -3.82 0.01 0.00 0.00 0.00 0.00 34.83 31.02 3fki s MET 563 CO 0.00 -0.47 1.04 -1.21 0.00 0.00 0.00 175.02 174.38 3fki s GLU 564 N 1.76 4.23 0.76 4.11 2.02 -0.80 -4.75 118.70 126.04 3fki s GLU 564 Ca 0.07 1.32 -0.15 0.00 0.02 0.00 0.00 54.97 56.23 3fki s GLU 564 Cb -0.17 -3.65 0.05 0.00 0.10 0.00 0.00 34.13 30.46 3fki s GLU 564 CO 0.11 -0.66 1.23 -1.25 0.02 0.00 0.00 175.26 174.71 3fki s PRO 565 N 3.25 1.91 0.14 0.39 0.04 -1.26 -2.05 135.00 137.43 3fki s PRO 565 Ca 0.44 1.85 0.20 0.00 0.04 0.00 0.00 61.00 63.53 3fki s PRO 565 Cb -0.15 -1.80 0.84 0.00 0.04 0.00 0.00 34.50 33.43 3fki s PRO 565 CO 0.07 -2.03 1.62 -0.11 0.04 0.00 0.00 177.00 176.59 3fki n LEU 566 N -2.88 0.38 -0.03 -3.56 7.94 -1.25 -2.88 117.00 114.73 3fki n LEU 566 Ca 0.14 0.59 -0.13 0.00 -1.11 0.00 0.00 56.01 55.50 3fki n LEU 566 Cb 0.50 -0.53 -0.08 0.00 0.53 0.00 0.00 43.42 43.84 3fki n LEU 566 CO 0.48 -0.40 0.67 -0.33 -1.11 0.00 0.00 177.39 176.70 3fki h GLU 567 N 0.00 0.15 -2.47 1.96 4.39 -1.93 -3.33 114.58 113.35 3fki h GLU 567 Ca 0.00 -0.06 -0.74 0.00 0.34 0.00 0.00 59.36 58.90 3fki h GLU 567 Cb 0.34 -0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.66 3fki h GLU 567 CO 0.00 0.52 0.38 -0.25 -1.16 0.00 0.00 179.01 178.50 3fki n ASP 568 N -4.77 5.93 -4.59 1.42 9.92 -1.14 -5.02 116.55 118.30 3fki n ASP 568 Ca -0.07 -3.55 -0.34 0.00 -0.53 0.00 0.00 54.79 50.30 3fki n ASP 568 Cb 0.25 -1.01 -0.11 0.00 -0.64 0.00 0.00 41.12 39.61 3fki n ASP 568 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3fki s TYR 569 N -3.34 2.93 -0.19 1.24 5.04 -1.25 -4.77 117.35 117.02 3fki s TYR 569 Ca 0.38 0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.98 3fki s TYR 569 Cb 0.15 -1.70 -0.03 0.00 0.35 0.00 0.00 41.96 40.73 3fki s TYR 569 CO -0.03 0.34 0.01 0.14 -1.34 0.00 0.00 175.55 174.67 3fki s VAL 570 N -0.83 4.14 0.13 3.14 -7.23 -1.26 -5.02 120.40 113.46 3fki s VAL 570 Ca 0.13 -0.26 -0.19 0.00 -1.81 0.00 0.00 61.98 59.85 3fki s VAL 570 Cb -0.11 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 3fki s VAL 570 CO 0.02 0.45 1.77 1.55 -0.31 0.00 0.00 175.10 178.58 3fki h PRO 571 N 7.14 0.28 0.00 4.82 0.13 -1.92 -3.41 132.00 139.03 3fki h PRO 571 Ca -0.35 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3fki h PRO 571 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3fki h PRO 571 CO 0.63 0.18 0.00 -2.39 -0.23 0.00 0.00 178.00 176.19 3fki n HIS 572 N -4.96 0.00 0.00 1.56 1.44 -1.26 -4.75 115.22 107.25 3fki n HIS 572 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3fki n HIS 572 Cb 0.05 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.16 3fki n HIS 572 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 3fki n GLN 573 N 0.00 0.00 -3.66 -1.40 7.27 -1.26 -4.43 117.38 113.89 3fki n GLN 573 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 3fki n GLN 573 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 3fki n GLN 573 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3fki s SER 574 N 0.00 5.53 -0.11 1.69 0.01 -1.26 -4.96 113.70 114.60 3fki s SER 574 Ca 0.00 -3.01 -0.24 0.00 1.31 0.00 0.00 55.95 54.01 3fki s SER 574 Cb 0.00 -1.90 -0.27 0.00 0.21 0.00 0.00 66.02 64.05 3fki s SER 574 CO 0.00 -0.35 0.72 1.55 0.41 0.00 0.00 173.24 175.57 3fki h PRO 575 N 6.91 0.14 -2.93 12.44 0.14 -1.87 -3.35 132.00 143.47 3fki h PRO 575 Ca 0.03 -0.23 -0.53 0.00 0.14 0.00 0.00 66.00 65.40 3fki h PRO 575 Cb 0.94 0.09 0.01 0.00 0.14 0.00 0.00 31.00 32.18 3fki h PRO 575 CO 0.74 1.11 2.95 -0.25 0.14 0.00 0.00 178.00 182.69 3fki n ASP 576 N -4.33 7.41 -4.72 1.44 9.92 -1.26 -4.92 116.55 120.08 3fki n ASP 576 Ca -0.16 -2.49 -0.40 0.00 -0.53 0.00 0.00 54.79 51.21 3fki n ASP 576 Cb 0.68 -1.43 -0.05 0.00 -0.64 0.00 0.00 41.12 39.68 3fki n ASP 576 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fki s ALA 577 N 2.24 3.35 -0.47 2.24 0.00 -1.26 -4.95 121.76 122.91 3fki s ALA 577 Ca 0.63 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 3fki s ALA 577 Cb 0.18 -2.95 0.12 0.00 0.00 0.00 0.00 23.12 20.48 3fki s ALA 577 CO -0.05 -0.06 0.29 0.99 0.00 0.00 0.00 175.76 176.94 3fki s THR 578 N 0.60 3.64 0.28 0.00 2.01 -1.24 -4.84 115.64 116.08 3fki s THR 578 Ca 0.37 -2.15 -0.29 0.00 0.31 0.00 0.00 61.69 59.93 3fki s THR 578 Cb -0.18 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 3fki s THR 578 CO 0.19 -0.75 1.14 0.00 -0.69 0.00 0.00 174.62 174.51 3fki s ARG 579 N 0.97 4.58 -0.18 4.92 1.70 -1.17 -2.22 118.95 127.57 3fki s ARG 579 Ca 0.09 1.88 -0.04 0.00 -0.47 0.00 0.00 55.73 57.19 3fki s ARG 579 Cb -0.23 -3.17 -0.03 0.00 -0.57 0.00 0.00 34.95 30.95 3fki s ARG 579 CO -0.03 0.12 -0.02 0.08 -1.08 0.00 0.00 175.30 174.37 3fki s VAL 580 N -1.06 3.91 -0.02 4.99 1.01 0.13 -1.26 120.40 128.10 3fki s VAL 580 Ca 0.46 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3fki s VAL 580 Cb -0.33 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3fki s VAL 580 CO 0.43 0.47 -0.12 -0.36 0.00 0.00 0.00 175.10 175.51 3fki s PHE 581 N 0.64 2.75 -0.06 5.22 0.40 0.29 -3.16 117.98 124.07 3fki s PHE 581 Ca -0.02 -0.12 -0.03 0.00 -0.60 0.00 0.00 56.93 56.17 3fki s PHE 581 Cb -0.14 -1.60 0.04 0.00 0.51 0.00 0.00 43.02 41.83 3fki s PHE 581 CO 0.02 0.27 0.08 0.54 0.70 0.00 0.00 175.22 176.83 3fki s VAL 582 N -0.86 -0.13 -1.45 -0.44 0.11 -0.78 -0.58 120.40 116.26 3fki s VAL 582 Ca 0.14 0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 59.44 3fki s VAL 582 Cb -0.11 -0.22 0.06 0.00 -1.53 0.00 0.00 36.38 34.58 3fki s VAL 582 CO 0.04 0.12 0.76 0.59 -3.33 0.00 0.00 175.10 173.28 3fki n ASN 583 N 5.30 -4.95 -1.08 3.54 4.13 0.15 -1.81 115.26 120.54 3fki n ASN 583 Ca -0.04 -0.53 -0.10 0.00 1.68 0.00 0.00 54.58 55.60 3fki n ASN 583 Cb 0.50 -3.99 -0.01 0.00 -1.54 0.00 0.00 39.78 34.74 3fki n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fki n GLY 584 N -1.52 0.22 3.06 7.41 0.00 -1.26 -4.93 105.19 108.17 3fki n GLY 584 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 3fki n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 585 N -2.48 1.56 -0.15 1.61 1.01 -0.75 -4.87 120.40 116.33 3fki s VAL 585 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3fki s VAL 585 Cb 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3fki s VAL 585 CO 0.00 0.45 1.20 0.86 0.00 0.00 0.00 175.10 177.62 3fki s TRP 586 N 1.05 3.03 -0.12 5.22 -0.11 -1.26 -1.86 118.94 124.89 3fki s TRP 586 Ca -0.05 1.15 0.02 0.00 1.22 0.00 0.00 56.10 58.45 3fki s TRP 586 Cb -0.15 -3.43 -0.02 0.00 -1.50 0.00 0.00 33.47 28.37 3fki s TRP 586 CO -0.03 -1.36 0.12 0.72 -4.62 0.00 0.00 176.95 171.79 3fki n HIS 587 N 6.20 0.00 -1.79 5.86 8.25 -1.19 -4.92 115.22 127.63 3fki n HIS 587 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3fki n HIS 587 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3fki n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fki n GLY 588 N 1.00 -0.35 3.22 -1.41 0.00 -1.26 -3.79 105.19 102.60 3fki n GLY 588 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 3fki n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 589 N -2.38 1.58 -0.11 1.61 1.01 -0.87 -0.70 120.40 120.55 3fki s VAL 589 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3fki s VAL 589 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3fki s VAL 589 CO 0.00 0.35 -0.11 -2.28 0.00 0.00 0.00 175.10 173.07 3fki s HIS 590 N -0.58 2.85 0.13 5.22 2.46 -0.94 -1.91 115.29 122.52 3fki s HIS 590 Ca 0.07 -0.39 -0.09 0.00 0.47 0.00 0.00 55.06 55.12 3fki s HIS 590 Cb -0.08 -1.81 -0.07 0.00 -0.13 0.00 0.00 32.58 30.50 3fki s HIS 590 CO 0.00 -0.02 1.38 0.00 -2.47 0.00 0.00 174.74 173.63 3fki h ARG 591 N 6.23 0.73 -2.73 2.88 3.08 -1.88 -3.30 114.38 119.39 3fki h ARG 591 Ca -0.34 -0.54 -0.60 0.00 0.07 0.00 0.00 59.98 58.56 3fki h ARG 591 Cb 1.19 0.09 -0.40 0.00 0.08 0.00 0.00 29.97 30.94 3fki h ARG 591 CO 0.56 1.16 -0.78 1.21 -1.07 0.00 0.00 179.97 181.05 3fki s ASN 592 N -7.02 3.12 0.06 7.04 3.04 -1.26 -4.90 114.94 115.01 3fki s ASN 592 Ca -0.09 -3.39 0.22 0.00 0.04 0.00 0.00 52.86 49.64 3fki s ASN 592 Cb 0.10 -1.02 0.90 0.00 -1.54 0.00 0.00 41.25 39.69 3fki s ASN 592 CO 0.88 -0.14 1.69 -0.81 -3.04 0.00 0.00 177.10 175.68 3fki n PRO 593 N 2.51 0.06 -0.35 0.43 -0.04 -1.26 -3.68 135.00 132.66 3fki n PRO 593 Ca 0.24 0.19 -0.00 0.00 -0.04 0.00 0.00 63.50 63.88 3fki n PRO 593 Cb 0.41 -1.59 0.15 0.00 -0.04 0.00 0.00 33.50 32.44 3fki n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fki h ALA 594 N 2.64 1.34 0.00 0.55 0.00 -1.97 -1.39 119.26 120.43 3fki h ALA 594 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fki h ALA 594 Cb 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fki h ALA 594 CO 0.00 0.59 -1.74 0.54 0.00 0.00 0.00 179.25 178.63 3fki n ARG 595 N -4.41 0.52 -0.10 0.00 1.74 -1.24 -4.17 116.66 108.99 3fki n ARG 595 Ca 0.12 -0.14 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 3fki n ARG 595 Cb 0.05 -1.53 0.09 0.00 -1.02 0.00 0.00 32.46 30.05 3fki n ARG 595 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3fki h LEU 596 N 0.00 0.81 0.01 0.55 5.85 -1.58 -2.41 115.31 118.54 3fki h LEU 596 Ca 0.00 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3fki h LEU 596 Cb 0.90 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3fki h LEU 596 CO 0.00 0.98 -0.01 -0.03 -0.34 0.00 0.00 178.44 179.05 3fki h MET 597 N 0.72 -0.01 0.00 1.25 4.05 -1.43 -1.60 114.93 117.91 3fki h MET 597 Ca 0.11 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 3fki h MET 597 Cb 0.68 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 3fki h MET 597 CO 0.05 0.15 -0.11 1.49 0.23 0.00 0.00 176.91 178.72 3fki h GLU 598 N -0.17 0.00 -0.41 0.39 4.81 -1.72 0.44 114.58 117.92 3fki h GLU 598 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3fki h GLU 598 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3fki h GLU 598 CO 0.00 0.11 -0.22 1.15 -0.73 0.00 0.00 179.01 179.32 3fki h THR 599 N 0.00 1.28 -0.04 0.32 2.02 -1.31 -2.52 112.91 112.66 3fki h THR 599 Ca -0.00 -1.37 -0.20 0.00 0.77 0.00 0.00 66.41 65.61 3fki h THR 599 Cb 0.74 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3fki h THR 599 CO 0.01 0.46 -0.80 -0.07 0.37 0.00 0.00 175.52 175.49 3fki h LEU 600 N 0.69 0.45 -0.09 2.58 3.38 -0.50 -2.73 115.31 119.09 3fki h LEU 600 Ca 0.09 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3fki h LEU 600 Cb 0.79 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3fki h LEU 600 CO 0.06 1.08 0.01 0.03 0.09 0.00 0.00 178.44 179.72 3fki h ARG 601 N 0.23 0.15 0.00 1.13 3.08 -0.16 -2.23 114.38 116.59 3fki h ARG 601 Ca -0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3fki h ARG 601 Cb 1.40 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3fki h ARG 601 CO 0.14 0.38 0.00 1.15 -1.07 0.00 0.00 179.97 180.56 3fki h THR 602 N -0.10 0.00 -0.25 2.04 2.02 -1.56 -1.52 112.91 113.54 3fki h THR 602 Ca 0.03 -0.52 -0.17 0.00 0.77 0.00 0.00 66.41 66.51 3fki h THR 602 Cb 0.30 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3fki h THR 602 CO 0.00 0.00 -0.53 0.25 0.37 0.00 0.00 175.52 175.62 3fki h LEU 603 N 0.00 0.81 -0.07 2.58 7.12 -1.16 -3.07 115.31 121.53 3fki h LEU 603 Ca 0.00 -0.43 -0.22 0.00 0.13 0.00 0.00 57.88 57.37 3fki h LEU 603 Cb 0.54 -0.23 0.01 0.00 -0.53 0.00 0.00 40.66 40.45 3fki h LEU 603 CO 0.00 1.18 -0.81 -0.09 -0.13 0.00 0.00 178.44 178.60 3fki h ARG 604 N 0.57 0.67 -1.20 1.25 2.43 -1.14 -3.24 114.38 113.72 3fki h ARG 604 Ca 0.02 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3fki h ARG 604 Cb 1.10 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3fki h ARG 604 CO 0.11 1.23 0.00 0.54 -1.51 0.00 0.00 179.97 180.34 3fki n ARG 605 N -3.99 0.79 0.00 0.20 1.74 -0.60 -3.23 116.66 111.56 3fki n ARG 605 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3fki n ARG 605 Cb 0.76 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 3fki n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3fki n LYS 606 N 0.59 0.00 0.00 5.56 4.81 -1.17 -3.18 118.16 124.77 3fki n LYS 606 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3fki n LYS 606 Cb 0.39 -0.33 0.00 0.00 0.02 0.00 0.00 35.03 35.11 3fki n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fki n GLY 607 N 2.07 0.48 0.13 3.14 0.00 -1.20 -4.62 105.19 105.19 3fki n GLY 607 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3fki n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fki h ASP 608 N 0.00 -0.18 -3.38 1.61 3.32 -1.85 -3.41 116.42 112.52 3fki h ASP 608 Ca 0.00 -0.35 -0.59 0.00 0.02 0.00 0.00 57.03 56.12 3fki h ASP 608 Cb 0.00 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.51 3fki h ASP 608 CO 0.00 0.37 0.20 -0.63 -1.72 0.00 0.00 179.24 177.46 3fki s ILE 609 N -3.34 4.98 -0.12 0.35 1.01 -1.23 -5.01 121.20 117.84 3fki s ILE 609 Ca -0.12 1.33 -0.38 0.00 0.00 0.00 0.00 60.65 61.48 3fki s ILE 609 Cb 0.00 -4.01 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 3fki s ILE 609 CO 0.46 0.09 1.65 -3.20 0.00 0.00 0.00 174.94 173.94 3fki n ASN 610 N 5.04 2.43 0.00 3.58 5.15 -1.26 -4.50 115.26 125.70 3fki n ASN 610 Ca 0.00 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 3fki n ASN 610 Cb 0.49 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 3fki n ASN 610 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3fki n PRO 611 N 4.70 0.00 0.13 1.20 -0.02 -1.26 -1.10 135.00 138.65 3fki n PRO 611 Ca 0.23 0.19 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 3fki n PRO 611 Cb 0.19 -1.57 0.05 0.00 -0.02 0.00 0.00 33.50 32.14 3fki n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3fki h GLU 612 N 0.00 0.00 -6.56 -0.52 4.81 -1.92 -3.39 114.58 107.00 3fki h GLU 612 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 3fki h GLU 612 Cb 0.15 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.55 3fki h GLU 612 CO 0.00 0.57 0.66 0.08 -0.73 0.00 0.00 179.01 179.59 3fki s VAL 613 N -3.01 3.49 -0.04 0.32 1.01 -0.26 -4.98 120.40 116.92 3fki s VAL 613 Ca 0.03 1.10 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 3fki s VAL 613 Cb 0.08 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3fki s VAL 613 CO 0.75 0.10 0.23 -0.94 0.00 0.00 0.00 175.10 175.24 3fki s SER 614 N 0.92 6.48 -0.07 3.32 1.04 -0.94 -4.97 113.70 119.48 3fki s SER 614 Ca 0.61 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 3fki s SER 614 Cb -0.35 -2.09 0.03 0.00 0.10 0.00 0.00 66.02 63.70 3fki s SER 614 CO 0.31 0.32 -0.01 -0.04 0.98 0.00 0.00 173.24 174.81 3fki s MET 615 N -1.40 0.72 -0.10 4.02 -1.94 -1.26 -1.61 119.30 117.72 3fki s MET 615 Ca 0.22 0.04 0.03 0.00 -1.71 0.00 0.00 55.69 54.27 3fki s MET 615 Cb -0.13 -1.00 0.01 0.00 2.01 0.00 0.00 34.83 35.72 3fki s MET 615 CO 0.11 -0.26 -0.21 0.42 -0.01 0.00 0.00 175.02 175.07 3fki s ILE 616 N 1.76 1.86 -0.42 2.53 1.09 0.72 -4.93 121.20 123.80 3fki s ILE 616 Ca 0.02 -0.89 -0.04 0.00 -1.10 0.00 0.00 60.65 58.64 3fki s ILE 616 Cb -0.13 -1.63 0.11 0.00 -1.06 0.00 0.00 42.46 39.75 3fki s ILE 616 CO -0.05 0.51 0.22 -0.60 -0.10 0.00 0.00 174.94 174.93 3fki s ARG 617 N 0.54 2.13 -1.17 2.79 3.52 -1.26 -1.11 118.95 124.39 3fki s ARG 617 Ca -0.15 -1.77 -0.13 0.00 -0.13 0.00 0.00 55.73 53.55 3fki s ARG 617 Cb -0.17 -3.64 0.19 0.00 -1.56 0.00 0.00 34.95 29.77 3fki s ARG 617 CO 0.05 -1.07 1.35 0.34 -0.81 0.00 0.00 175.30 175.16 3fki s ASP 618 N 1.97 7.09 0.20 -2.12 3.68 -0.53 -4.85 116.67 122.10 3fki s ASP 618 Ca 0.07 -3.04 -0.09 0.00 2.13 0.00 0.00 52.55 51.62 3fki s ASP 618 Cb -0.23 -2.36 0.14 0.00 -1.45 0.00 0.00 42.92 39.01 3fki s ASP 618 CO -0.03 -0.68 1.76 0.40 0.13 0.00 0.00 175.17 176.75 3fki h ILE 619 N 4.55 1.26 0.00 4.11 2.04 -1.96 -0.01 117.51 127.50 3fki h ILE 619 Ca 0.28 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3fki h ILE 619 Cb 0.88 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3fki h ILE 619 CO 1.19 0.33 -0.02 0.03 0.00 0.00 0.00 178.15 179.68 3fki h ARG 620 N 1.09 0.00 -0.01 2.37 3.08 -1.95 -1.69 114.38 117.27 3fki h ARG 620 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3fki h ARG 620 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3fki h ARG 620 CO -0.02 0.02 -0.11 -1.91 -1.07 0.00 0.00 179.97 176.88 3fki n GLU 621 N -3.30 1.57 -3.01 0.04 4.07 -1.03 -5.03 120.64 113.94 3fki n GLU 621 Ca -0.02 -0.69 -0.13 0.00 -0.06 0.00 0.00 57.16 56.26 3fki n GLU 621 Cb 0.15 -1.07 0.06 0.00 -0.06 0.00 0.00 31.44 30.53 3fki n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3fki n LYS 622 N -0.05 -2.39 -4.12 5.31 5.02 -0.15 -5.00 118.16 116.78 3fki n LYS 622 Ca 0.04 0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 56.97 3fki n LYS 622 Cb 0.18 -5.20 -0.10 0.00 -0.02 0.00 0.00 35.03 29.89 3fki n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fki s GLU 623 N -4.31 0.69 -0.25 1.97 2.02 -0.45 -3.03 118.70 115.34 3fki s GLU 623 Ca 0.34 -1.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.09 3fki s GLU 623 Cb -0.04 -0.03 0.10 0.00 0.10 0.00 0.00 34.13 34.25 3fki s GLU 623 CO 0.63 -0.05 0.18 -1.17 0.02 0.00 0.00 175.26 174.87 3fki s LEU 624 N -2.78 0.19 -0.12 1.80 2.96 -0.39 -1.46 118.68 118.88 3fki s LEU 624 Ca 0.07 -0.82 -0.05 0.00 -0.22 0.00 0.00 54.13 53.11 3fki s LEU 624 Cb 0.04 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 3fki s LEU 624 CO -0.06 -0.39 0.08 -0.54 -1.32 0.00 0.00 176.35 174.12 3fki s LYS 625 N 2.22 3.37 -0.05 1.98 1.02 -0.27 0.11 119.74 128.12 3fki s LYS 625 Ca 0.07 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.81 3fki s LYS 625 Cb -0.15 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.12 3fki s LYS 625 CO -0.26 0.67 -0.04 0.42 -0.92 0.00 0.00 175.35 175.22 3fki s ILE 626 N -0.74 0.54 -0.13 2.17 1.01 0.25 -0.20 121.20 124.11 3fki s ILE 626 Ca 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3fki s ILE 626 Cb -0.12 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.79 3fki s ILE 626 CO 0.03 0.23 -0.20 -0.36 0.00 0.00 0.00 174.94 174.63 3fki s PHE 627 N 0.95 2.44 -0.20 3.97 2.99 -0.64 -0.68 117.98 126.81 3fki s PHE 627 Ca -0.11 -1.18 0.12 0.00 0.00 0.00 0.00 56.93 55.76 3fki s PHE 627 Cb -0.14 -1.68 0.42 0.00 0.00 0.00 0.00 43.02 41.61 3fki s PHE 627 CO -0.00 -0.55 1.22 -2.37 -0.00 0.00 0.00 175.22 173.52 3fki n THR 628 N 4.04 2.12 -3.28 0.64 5.66 -1.26 -2.21 114.28 119.99 3fki n THR 628 Ca -0.20 -3.14 -0.27 0.00 -3.05 0.00 0.00 64.05 57.39 3fki n THR 628 Cb 0.52 -0.19 -0.02 0.00 -1.55 0.00 0.00 70.33 69.08 3fki n THR 628 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3fki s ASP 629 N -3.18 6.38 -0.12 1.09 2.15 -1.26 -2.09 116.67 119.64 3fki s ASP 629 Ca 0.38 0.66 -0.18 0.00 0.43 0.00 0.00 52.55 53.84 3fki s ASP 629 Cb 0.37 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 3fki s ASP 629 CO -0.07 -0.27 0.46 0.00 -0.17 0.00 0.00 175.17 175.12 3fki s ALA 630 N -2.22 3.49 0.00 3.66 0.00 -1.26 -4.09 121.76 121.34 3fki s ALA 630 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3fki s ALA 630 Cb -0.10 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3fki s ALA 630 CO 0.33 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.52 3fki n GLY 631 N 3.25 1.36 3.77 0.00 0.00 -0.41 -4.81 105.19 108.35 3fki n GLY 631 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3fki n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fki s ARG 632 N 0.00 3.71 -0.19 1.61 0.52 -1.26 -1.41 118.95 121.92 3fki s ARG 632 Ca 0.00 1.69 -0.05 0.00 -0.52 0.00 0.00 55.73 56.85 3fki s ARG 632 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 3fki s ARG 632 CO 0.00 -0.57 0.00 0.08 0.02 0.00 0.00 175.30 174.83 3fki s VAL 633 N -1.63 4.06 0.07 3.52 1.01 -1.26 0.12 120.40 126.30 3fki s VAL 633 Ca 0.65 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.42 3fki s VAL 633 Cb -0.26 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3fki s VAL 633 CO 0.32 0.44 -0.19 -0.72 0.00 0.00 0.00 175.10 174.94 3fki s TYR 634 N 0.83 1.65 0.03 5.22 -0.85 -0.20 -3.64 117.35 120.39 3fki s TYR 634 Ca 0.01 -0.40 0.07 0.00 -0.52 0.00 0.00 57.07 56.23 3fki s TYR 634 Cb -0.14 -0.94 -0.02 0.00 0.38 0.00 0.00 41.96 41.23 3fki s TYR 634 CO 0.02 0.13 -0.22 -0.98 -1.52 0.00 0.00 175.55 172.98 3fki s ARG 635 N -1.57 1.57 0.23 -3.49 1.70 -0.49 -1.42 118.95 115.48 3fki s ARG 635 Ca 0.05 -0.92 -0.24 0.00 -0.47 0.00 0.00 55.73 54.15 3fki s ARG 635 Cb -0.09 -1.64 -0.09 0.00 -0.57 0.00 0.00 34.95 32.56 3fki s ARG 635 CO 0.03 0.43 0.81 -1.25 -1.08 0.00 0.00 175.30 174.24 3fki s PRO 636 N -0.98 4.48 0.04 3.89 0.04 -1.26 -2.09 135.00 139.13 3fki s PRO 636 Ca 0.08 1.12 -0.00 0.00 0.04 0.00 0.00 61.00 62.24 3fki s PRO 636 Cb -0.09 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3fki s PRO 636 CO 0.01 0.44 -0.03 -0.51 0.04 0.00 0.00 177.00 176.95 3fki s LEU 637 N -1.65 2.41 1.11 -3.56 1.43 -0.56 -4.70 118.68 113.16 3fki s LEU 637 Ca 0.42 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3fki s LEU 637 Cb -0.20 0.14 0.24 0.00 0.03 0.00 0.00 46.19 46.41 3fki s LEU 637 CO 0.24 -0.49 1.07 -0.36 0.23 0.00 0.00 176.35 177.04 3fki s PHE 638 N -3.09 1.48 -0.16 0.29 2.99 0.05 -1.40 117.98 118.13 3fki s PHE 638 Ca -0.00 0.89 0.01 0.00 0.00 0.00 0.00 56.93 57.83 3fki s PHE 638 Cb 0.02 -3.24 0.02 0.00 0.00 0.00 0.00 43.02 39.82 3fki s PHE 638 CO -0.07 -3.46 -0.17 0.42 -0.00 0.00 0.00 175.22 171.95 3fki s ILE 639 N -2.83 1.79 -0.31 0.64 1.01 -1.06 -3.03 121.20 117.43 3fki s ILE 639 Ca 0.67 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3fki s ILE 639 Cb -0.18 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.64 3fki s ILE 639 CO 0.59 0.48 0.10 -0.69 0.00 0.00 0.00 174.94 175.42 3fki s VAL 640 N 1.39 4.05 0.03 2.92 1.01 0.14 -1.27 120.40 128.67 3fki s VAL 640 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3fki s VAL 640 Cb -0.13 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3fki s VAL 640 CO -0.12 0.03 -0.09 -1.61 0.00 0.00 0.00 175.10 173.31 3fki s GLU 641 N 1.50 0.63 -0.95 2.72 0.41 -1.07 -4.35 118.70 117.60 3fki s GLU 641 Ca 0.02 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 53.97 3fki s GLU 641 Cb -0.18 -0.53 0.33 0.00 -1.78 0.00 0.00 34.13 31.97 3fki s GLU 641 CO 0.03 0.13 1.81 -0.40 -0.49 0.00 0.00 175.26 176.34 3fki n ASP 642 N 1.99 7.19 -1.66 -0.19 5.75 -1.26 -3.66 116.55 124.72 3fki n ASP 642 Ca -0.19 -3.73 0.09 0.00 -0.01 0.00 0.00 54.79 50.96 3fki n ASP 642 Cb 0.56 -1.09 0.37 0.00 -1.03 0.00 0.00 41.12 39.92 3fki n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3fki n ASP 643 N -0.20 4.94 -4.77 -1.12 8.00 -1.26 -4.95 116.55 117.18 3fki n ASP 643 Ca 0.48 -2.53 -0.38 0.00 0.71 0.00 0.00 54.79 53.06 3fki n ASP 643 Cb 0.27 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 3fki n ASP 643 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3fki s GLU 644 N -2.01 4.01 -0.10 -1.24 0.41 -1.26 -4.94 118.70 113.57 3fki s GLU 644 Ca 0.52 1.90 0.17 0.00 -0.41 0.00 0.00 54.97 57.15 3fki s GLU 644 Cb 0.34 -2.67 0.62 0.00 -1.78 0.00 0.00 34.13 30.64 3fki s GLU 644 CO 0.23 -0.37 1.53 0.45 -0.49 0.00 0.00 175.26 176.61 3fki n SER 645 N 0.05 4.28 0.00 -0.19 2.88 -1.26 -4.58 113.62 114.80 3fki n SER 645 Ca 0.04 -2.43 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 3fki n SER 645 Cb 0.46 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 3fki n SER 645 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3fki n LEU 646 N 0.79 0.41 0.00 2.46 -0.00 -1.26 -5.13 117.00 114.28 3fki n LEU 646 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 3fki n LEU 646 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.22 3fki n LEU 646 CO 0.20 -0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.13 3fki n GLY 647 N 2.56 2.31 0.00 -3.96 0.00 -1.26 -5.19 105.19 99.65 3fki n GLY 647 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3fki n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3fki n HIS 648 N 0.00 0.00 -2.23 1.61 1.44 -1.26 -4.89 115.22 109.89 3fki n HIS 648 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 3fki n HIS 648 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 3fki n HIS 648 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3fki s LYS 649 N 4.81 3.61 0.07 -1.40 3.01 -1.26 -4.32 119.74 124.25 3fki s LYS 649 Ca 0.00 1.23 -0.13 0.00 -1.01 0.00 0.00 55.97 56.06 3fki s LYS 649 Cb 0.00 -4.05 0.02 0.00 -1.01 0.00 0.00 37.83 32.79 3fki s LYS 649 CO 0.00 -1.52 0.29 -2.00 0.51 0.00 0.00 175.35 172.63 3fki s GLU 650 N 4.95 0.86 0.35 1.68 2.56 -1.24 -4.96 118.70 122.90 3fki s GLU 650 Ca 0.67 -0.63 -0.28 0.00 0.00 0.00 0.00 54.97 54.73 3fki s GLU 650 Cb -0.18 0.37 -0.12 0.00 2.00 0.00 0.00 34.13 36.20 3fki s GLU 650 CO 0.31 -0.29 1.39 1.28 -0.56 0.00 0.00 175.26 177.39 3fki n LEU 651 N 0.32 4.08 0.12 2.70 4.77 -1.26 -2.60 117.00 125.13 3fki n LEU 651 Ca -0.17 1.21 0.13 0.00 -0.03 0.00 0.00 56.01 57.14 3fki n LEU 651 Cb 0.61 -1.54 0.44 0.00 -2.33 0.00 0.00 43.42 40.59 3fki n LEU 651 CO 0.21 -0.19 0.88 0.29 -1.33 0.00 0.00 177.39 177.24 3fki n LYS 652 N 0.61 0.24 -2.79 3.23 5.02 -0.40 -4.70 118.16 119.37 3fki n LYS 652 Ca 0.04 0.30 -0.40 0.00 -2.02 0.00 0.00 58.31 56.22 3fki n LYS 652 Cb 0.37 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 3fki n LYS 652 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fki s VAL 653 N -3.19 4.36 0.41 -0.18 1.01 -1.26 -4.97 120.40 116.58 3fki s VAL 653 Ca 0.08 1.99 0.03 0.00 0.00 0.00 0.00 61.98 64.09 3fki s VAL 653 Cb 0.11 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3fki s VAL 653 CO 0.52 0.41 0.07 -0.13 0.00 0.00 0.00 175.10 175.97 3fki s ARG 654 N -0.54 1.93 0.56 2.72 1.81 -1.26 -4.84 118.95 119.33 3fki s ARG 654 Ca 0.43 -2.17 0.35 0.00 -1.72 0.00 0.00 55.73 52.62 3fki s ARG 654 Cb -0.24 -0.96 1.52 0.00 -0.45 0.00 0.00 34.95 34.83 3fki s ARG 654 CO 0.29 -0.35 2.04 -0.22 -0.68 0.00 0.00 175.30 176.38 3fki h LYS 655 N 1.76 0.00 -0.32 3.54 3.64 -1.68 -2.71 116.57 120.80 3fki h LYS 655 Ca -0.39 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.84 3fki h LYS 655 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3fki h LYS 655 CO 0.65 0.02 -0.41 0.78 -2.27 0.00 0.00 179.45 178.23 3fki h GLY 656 N 1.67 0.85 1.37 5.01 0.00 -1.86 -2.21 103.07 107.89 3fki h GLY 656 Ca -0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 47.33 46.34 3fki h GLY 656 CO 0.00 0.79 -0.22 0.45 0.00 0.00 0.00 176.54 177.56 3fki h HIS 657 N 0.64 0.83 -0.34 5.60 3.86 -1.83 -2.03 115.15 121.88 3fki h HIS 657 Ca 0.05 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 3fki h HIS 657 Cb 0.97 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 3fki h HIS 657 CO 0.05 0.89 -0.03 0.82 0.86 0.00 0.00 177.93 180.52 3fki h ILE 658 N 0.64 1.27 -0.07 2.45 2.04 -1.49 -1.30 117.51 121.05 3fki h ILE 658 Ca 0.09 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 3fki h ILE 658 Cb 0.71 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3fki h ILE 658 CO 0.05 0.34 -0.19 0.00 0.00 0.00 0.00 178.15 178.35 3fki h ALA 659 N 0.84 1.55 -0.10 1.87 0.00 -1.35 0.39 119.26 122.45 3fki h ALA 659 Ca 0.09 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3fki h ALA 659 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fki h ALA 659 CO 0.02 0.33 -0.57 -0.22 0.00 0.00 0.00 179.25 178.81 3fki h LYS 660 N 0.11 0.33 -0.05 0.00 3.64 -1.13 -2.05 116.57 117.42 3fki h LYS 660 Ca 0.02 -0.21 -0.25 0.00 -1.27 0.00 0.00 60.65 58.94 3fki h LYS 660 Cb 0.41 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3fki h LYS 660 CO 0.03 0.81 -0.96 -0.07 -2.27 0.00 0.00 179.45 176.99 3fki h LEU 661 N 0.25 0.89 -1.82 5.20 3.38 -0.51 -3.26 115.31 119.44 3fki h LEU 661 Ca -0.00 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 3fki h LEU 661 Cb 1.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3fki h LEU 661 CO 0.09 1.47 -0.14 0.24 0.09 0.00 0.00 178.44 180.20 3fki h MET 662 N 0.43 0.00 -0.34 1.13 2.86 -0.17 -2.51 114.93 116.33 3fki h MET 662 Ca -0.10 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 3fki h MET 662 Cb 1.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 3fki h MET 662 CO 0.19 0.14 -0.34 0.00 1.06 0.00 0.00 176.91 177.96 3fki h ALA 663 N 1.86 0.77 -0.03 6.32 0.00 -1.41 -1.90 119.26 124.87 3fki h ALA 663 Ca -0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 3fki h ALA 663 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fki h ALA 663 CO 0.02 0.65 -0.79 1.15 0.00 0.00 0.00 179.25 180.28 3fki h THR 664 N 0.63 1.43 0.00 0.00 2.02 -1.55 -3.17 112.91 112.28 3fki h THR 664 Ca 0.07 -2.35 -0.09 0.00 0.77 0.00 0.00 66.41 64.81 3fki h THR 664 Cb 0.87 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3fki h THR 664 CO 0.08 0.69 -0.43 -0.33 0.37 0.00 0.00 175.52 175.90 3fki h GLU 665 N 0.18 0.00 -0.30 6.66 5.08 -1.40 -1.29 114.58 123.51 3fki h GLU 665 Ca -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3fki h GLU 665 Cb 1.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3fki h GLU 665 CO 0.13 0.43 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.62 3fki h TYR 666 N 0.00 0.59 0.00 4.33 3.20 -1.31 -3.19 116.97 120.59 3fki h TYR 666 Ca -0.00 -0.11 -0.15 0.00 3.14 0.00 0.00 58.73 61.61 3fki h TYR 666 Cb 1.00 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 3fki h TYR 666 CO 0.00 0.69 -0.98 -0.56 -1.64 0.00 0.00 178.16 175.67 3fki h GLN 667 N 0.32 0.00 0.00 1.82 3.07 -1.59 -3.48 115.11 115.26 3fki h GLN 667 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 3fki h GLN 667 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 3fki h GLN 667 CO 0.02 0.46 0.00 -3.47 0.09 0.00 0.00 178.83 175.93 3fki n ASP 668 N -3.09 0.00 0.00 0.06 4.64 -0.49 -5.13 116.55 112.54 3fki n ASP 668 Ca -0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 3fki n ASP 668 Cb 0.81 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.89 3fki n ASP 668 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 3fki n ILE 669 N 0.00 0.00 0.00 5.18 -5.35 -1.26 -4.97 119.36 112.96 3fki n ILE 669 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3fki n ILE 669 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3fki n ILE 669 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3fki n GLU 678 N 0.00 2.45 -2.81 6.28 0.28 -1.26 -5.21 120.64 120.36 3fki n GLU 678 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 3fki n GLU 678 Cb 0.00 -0.95 -0.04 0.00 1.43 0.00 0.00 31.44 31.88 3fki n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3fki s TYR 679 N -1.86 2.70 0.04 -1.84 5.04 -1.26 -4.99 117.35 115.17 3fki s TYR 679 Ca 0.00 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 3fki s TYR 679 Cb 0.00 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 38.10 3fki s TYR 679 CO 0.00 -1.54 0.02 -2.37 -1.34 0.00 0.00 175.55 170.32 3fki n THR 680 N 6.12 0.00 -0.36 4.34 5.66 -1.26 -4.72 114.28 124.05 3fki n THR 680 Ca -0.00 -0.17 -0.03 0.00 -3.05 0.00 0.00 64.05 60.80 3fki n THR 680 Cb 0.47 -0.31 0.10 0.00 -1.55 0.00 0.00 70.33 69.03 3fki n THR 680 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 3fki h TRP 681 N 0.66 1.25 -0.18 1.09 2.91 -1.95 -2.94 115.95 116.79 3fki h TRP 681 Ca -0.03 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 3fki h TRP 681 Cb 0.09 -0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 28.32 3fki h TRP 681 CO 0.00 0.82 0.03 0.77 -1.03 0.00 0.00 178.44 179.03 3fki h SER 682 N 1.32 0.22 0.25 2.65 0.02 -1.96 -2.39 113.55 113.67 3fki h SER 682 Ca 0.35 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3fki h SER 682 Cb -0.08 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3fki h SER 682 CO -0.07 0.24 -0.24 0.77 -1.14 0.00 0.00 176.83 176.39 3fki h SER 683 N 0.25 0.00 0.29 3.07 4.64 -1.90 0.76 113.55 120.67 3fki h SER 683 Ca 0.06 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 3fki h SER 683 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3fki h SER 683 CO -0.00 0.24 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.69 3fki h LEU 684 N 0.00 0.20 0.17 5.97 3.38 -1.53 -2.20 115.31 121.31 3fki h LEU 684 Ca -0.00 -0.09 -0.31 0.00 0.09 0.00 0.00 57.88 57.57 3fki h LEU 684 Cb 0.44 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3fki h LEU 684 CO 0.03 0.62 -1.50 -0.07 0.09 0.00 0.00 178.44 177.61 3fki h LEU 685 N 0.16 0.57 -1.19 1.67 4.07 -1.44 0.22 115.31 119.37 3fki h LEU 685 Ca 0.01 -0.91 -0.08 0.00 0.08 0.00 0.00 57.88 56.98 3fki h LEU 685 Cb 0.84 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 3fki h LEU 685 CO 0.07 1.68 -0.38 0.78 -1.08 0.00 0.00 178.44 179.51 3fki h ASN 686 N -0.06 0.00 -0.16 -0.43 2.35 -0.90 -2.77 115.58 113.61 3fki h ASN 686 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3fki h ASN 686 Cb 1.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.33 3fki h ASN 686 CO 0.16 0.38 0.00 -0.62 -1.65 0.00 0.00 177.43 175.70 3fki n GLU 687 N -3.87 2.12 -2.37 0.81 1.02 -0.83 -4.14 120.64 113.38 3fki n GLU 687 Ca -0.01 -1.66 -0.06 0.00 -0.02 0.00 0.00 57.16 55.41 3fki n GLU 687 Cb 0.44 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3fki n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fki n GLY 688 N 1.31 0.15 0.01 0.62 0.00 -1.05 -4.99 105.19 101.25 3fki n GLY 688 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3fki n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fki n LEU 689 N -2.14 1.92 -4.12 0.99 4.77 0.63 -4.96 117.00 114.10 3fki n LEU 689 Ca -0.07 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 3fki n LEU 689 Cb 0.55 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 3fki n LEU 689 CO 0.22 0.36 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.47 3fki s VAL 690 N -2.05 1.17 -0.00 4.08 1.01 -0.38 -2.57 120.40 121.67 3fki s VAL 690 Ca -0.02 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3fki s VAL 690 Cb 0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3fki s VAL 690 CO 0.07 0.33 -0.13 -0.70 0.00 0.00 0.00 175.10 174.67 3fki s GLU 691 N -0.32 1.05 -0.01 2.72 2.12 -0.49 -4.15 118.70 119.62 3fki s GLU 691 Ca 0.05 -0.51 -0.25 0.00 0.36 0.00 0.00 54.97 54.61 3fki s GLU 691 Cb -0.06 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 33.27 3fki s GLU 691 CO -0.00 0.28 0.79 0.71 -0.54 0.00 0.00 175.26 176.49 3fki s TYR 692 N -0.39 3.66 -0.05 5.30 4.12 -1.26 -1.50 117.35 127.23 3fki s TYR 692 Ca 0.05 1.44 -0.00 0.00 0.02 0.00 0.00 57.07 58.57 3fki s TYR 692 Cb -0.05 -2.88 0.03 0.00 -1.52 0.00 0.00 41.96 37.53 3fki s TYR 692 CO -0.00 0.14 0.00 0.42 0.02 0.00 0.00 175.55 176.13 3fki s ILE 693 N 0.52 0.24 0.52 2.71 1.01 -0.89 -4.94 121.20 120.37 3fki s ILE 693 Ca 0.41 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.15 3fki s ILE 693 Cb -0.20 -0.37 0.11 0.00 0.01 0.00 0.00 42.46 42.01 3fki s ILE 693 CO 0.22 0.20 0.70 -0.90 0.00 0.00 0.00 174.94 175.16 3fki n ASP 694 N 4.63 0.60 0.11 3.58 5.75 -1.26 -1.39 116.55 128.57 3fki n ASP 694 Ca -0.16 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3fki n ASP 694 Cb 0.50 -0.49 0.31 0.00 -1.03 0.00 0.00 41.12 40.41 3fki n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fki h ALA 695 N -0.98 1.31 -0.21 2.12 0.00 -1.93 -2.43 119.26 117.14 3fki h ALA 695 Ca -0.23 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3fki h ALA 695 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3fki h ALA 695 CO 0.22 0.48 -0.06 1.49 0.00 0.00 0.00 179.25 181.37 3fki h GLU 696 N 0.21 0.40 0.00 0.00 4.57 -1.88 -3.07 114.58 114.81 3fki h GLU 696 Ca 0.03 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3fki h GLU 696 Cb 0.60 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3fki h GLU 696 CO 0.04 0.66 0.00 1.49 -1.18 0.00 0.00 179.01 180.02 3fki h GLU 697 N 0.12 0.00 0.00 1.92 4.81 -1.90 -3.04 114.58 116.49 3fki h GLU 697 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3fki h GLU 697 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3fki h GLU 697 CO 0.02 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.39 3fki n GLU 698 N -2.53 0.10 0.11 1.92 2.13 -0.92 -2.89 120.64 118.56 3fki n GLU 698 Ca 0.03 0.34 -0.02 0.00 0.66 0.00 0.00 57.16 58.18 3fki n GLU 698 Cb 0.37 -1.69 0.22 0.00 0.27 0.00 0.00 31.44 30.61 3fki n GLU 698 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3fki h GLU 699 N 0.00 0.18 -0.24 5.31 4.39 -1.64 -3.30 114.58 119.28 3fki h GLU 699 Ca 0.00 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 3fki h GLU 699 Cb 0.30 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 3fki h GLU 699 CO 0.00 0.61 -0.19 -1.13 -1.16 0.00 0.00 179.01 177.14 3fki n SER 700 N -3.98 2.33 -4.25 1.42 3.41 -1.14 -5.01 113.62 106.40 3fki n SER 700 Ca -0.02 -3.75 -0.17 0.00 -0.26 0.00 0.00 58.87 54.68 3fki n SER 700 Cb 0.51 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 3fki n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3fki s ILE 701 N -3.21 1.30 -0.11 -1.33 -4.36 -1.24 -5.03 121.20 107.22 3fki s ILE 701 Ca 0.42 -1.83 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 3fki s ILE 701 Cb 0.39 -1.63 -0.01 0.00 1.25 0.00 0.00 42.46 42.46 3fki s ILE 701 CO -0.02 -0.51 -0.19 -0.22 0.24 0.00 0.00 174.94 174.25 3fki s LEU 702 N -2.68 2.41 -0.12 0.37 2.96 -1.26 -5.02 118.68 115.33 3fki s LEU 702 Ca 0.11 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3fki s LEU 702 Cb -0.03 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3fki s LEU 702 CO 0.03 0.17 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.42 3fki s ILE 703 N 0.28 2.54 -0.07 6.68 1.01 -1.26 -1.75 121.20 128.62 3fki s ILE 703 Ca -0.13 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.42 3fki s ILE 703 Cb -0.17 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3fki s ILE 703 CO 0.07 0.54 0.83 0.00 0.00 0.00 0.00 174.94 176.38 3fki s ALA 704 N 0.42 3.33 -0.02 9.38 0.00 -0.77 -4.92 121.76 129.19 3fki s ALA 704 Ca -0.14 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 3fki s ALA 704 Cb -0.17 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 3fki s ALA 704 CO 0.06 -0.30 0.74 1.98 0.00 0.00 0.00 175.76 178.24 3fki h MET 705 N 6.93 -0.58 -4.99 0.00 4.05 -1.92 -0.93 114.93 117.50 3fki h MET 705 Ca -0.38 0.04 -0.66 0.00 -0.28 0.00 0.00 59.70 58.43 3fki h MET 705 Cb 1.18 0.13 -0.26 0.00 -0.80 0.00 0.00 31.60 31.85 3fki h MET 705 CO 0.78 -0.38 -0.70 -0.65 0.23 0.00 0.00 176.91 176.18 3fki s GLN 706 N -3.53 3.45 0.45 0.39 -0.21 -1.26 -4.49 119.66 114.44 3fki s GLN 706 Ca -0.09 -0.59 0.17 0.00 0.02 0.00 0.00 55.36 54.87 3fki s GLN 706 Cb 0.01 -3.08 1.03 0.00 1.00 0.00 0.00 33.01 31.97 3fki s GLN 706 CO 0.26 -0.19 1.97 -1.00 -2.12 0.00 0.00 175.29 174.21 3fki h PRO 707 N 8.12 0.00 0.01 2.91 0.13 -1.85 -1.66 132.00 139.66 3fki h PRO 707 Ca -0.41 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.52 3fki h PRO 707 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3fki h PRO 707 CO 0.60 0.21 -0.90 1.05 -0.23 0.00 0.00 178.00 178.73 3fki h GLU 708 N 0.00 0.18 0.01 0.86 4.11 -1.95 -3.40 114.58 114.39 3fki h GLU 708 Ca -0.00 -0.21 -0.41 0.00 0.07 0.00 0.00 59.36 58.81 3fki h GLU 708 Cb 0.41 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3fki h GLU 708 CO 0.03 0.96 -2.26 -0.25 0.07 0.00 0.00 179.01 177.56 3fki n ASP 709 N -3.63 1.95 -2.43 3.06 8.00 -1.16 -4.69 116.55 117.65 3fki n ASP 709 Ca -0.04 0.28 -0.25 0.00 0.71 0.00 0.00 54.79 55.49 3fki n ASP 709 Cb 0.82 -0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 3fki n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fki n LEU 710 N -4.09 6.35 0.06 0.64 4.77 -0.63 -4.21 117.00 119.88 3fki n LEU 710 Ca -0.48 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 51.54 3fki n LEU 710 Cb 0.87 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3fki n LEU 710 CO 0.12 1.72 -0.06 -0.62 -1.33 0.00 0.00 177.39 177.21 3fki n GLU 711 N 1.02 0.00 -1.60 3.23 -0.58 -1.26 -4.95 120.64 116.51 3fki n GLU 711 Ca 0.48 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.93 3fki n GLU 711 Cb 0.59 -0.12 0.14 0.00 -0.57 0.00 0.00 31.44 31.47 3fki n GLU 711 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3fki s PRO 712 N -2.00 1.14 0.00 3.49 0.02 -1.26 -5.02 135.00 131.38 3fki s PRO 712 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.23 3fki s PRO 712 Cb 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.67 3fki s PRO 712 CO 0.00 -2.18 0.00 0.00 -0.33 0.00 0.00 177.00 174.49 3fki n ALA 713 N -3.74 0.00 0.00 -1.55 0.00 -1.26 -5.01 120.51 108.95 3fki n ALA 713 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3fki n ALA 713 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3fki n ALA 713 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fki n GLU 714 N 0.00 0.00 0.05 0.00 1.02 -1.26 -4.83 120.64 115.62 3fki n GLU 714 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3fki n GLU 714 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3fki n GLU 714 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fki n ALA 715 N 0.93 3.00 -3.66 0.62 0.00 -1.26 -5.30 120.51 114.84 3fki n ALA 715 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3fki n ALA 715 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 3fki n ALA 715 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3fki s ASN 716 N -5.27 -0.74 0.00 0.00 2.47 -1.26 -5.10 114.94 105.04 3fki s ASN 716 Ca 0.00 1.27 0.00 0.00 0.42 0.00 0.00 52.86 54.55 3fki s ASN 716 Cb 0.00 1.49 0.00 0.00 -1.45 0.00 0.00 41.25 41.29 3fki s ASN 716 CO 0.00 -0.22 0.00 -0.67 -3.72 0.00 0.00 177.10 172.49 3fki n ASP 720 N 4.88 0.00 -0.94 -4.21 4.64 -1.26 -5.30 116.55 114.36 3fki n ASP 720 Ca -0.16 0.00 0.01 0.00 -1.38 0.00 0.00 54.79 53.27 3fki n ASP 720 Cb 0.53 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.61 3fki n ASP 720 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fki n LEU 721 N 0.00 0.00 -1.51 -2.67 4.77 -1.26 -4.89 117.00 111.44 3fki n LEU 721 Ca 0.00 0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 3fki n LEU 721 Cb 0.00 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 3fki n LEU 721 CO 0.00 -1.46 -0.19 -0.67 -1.33 0.00 0.00 177.39 173.74 3fki n ASP 722 N -3.19 -5.32 -0.58 -1.43 -0.08 -1.26 -4.86 116.55 99.84 3fki n ASP 722 Ca 0.00 0.45 0.08 0.00 -1.51 0.00 0.00 54.79 53.81 3fki n ASP 722 Cb 0.05 -4.50 0.27 0.00 2.34 0.00 0.00 41.12 39.27 3fki n ASP 722 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3fki n VAL 723 N -2.52 0.33 -1.59 5.18 0.24 -1.26 -5.01 118.33 113.70 3fki n VAL 723 Ca -0.19 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3fki n VAL 723 Cb 0.63 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 3fki n VAL 723 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3fki n ASP 724 N 0.39 -6.06 -1.37 -1.34 -0.08 -1.26 -4.73 116.55 102.10 3fki n ASP 724 Ca 0.14 0.92 -0.03 0.00 -1.51 0.00 0.00 54.79 54.30 3fki n ASP 724 Cb 0.30 -3.30 0.01 0.00 2.34 0.00 0.00 41.12 40.48 3fki n ASP 724 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3fki n PRO 725 N 1.03 1.16 0.00 -0.67 -0.04 -1.26 -3.57 135.00 131.65 3fki n PRO 725 Ca 0.00 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 3fki n PRO 725 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3fki n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fki n ALA 726 N 0.79 0.54 -1.29 0.55 0.00 -1.26 -5.14 120.51 114.69 3fki n ALA 726 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 3fki n ALA 726 Cb 0.57 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.11 3fki n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fki s LYS 727 N -1.00 2.33 0.51 0.00 1.02 -1.23 -4.99 119.74 116.37 3fki s LYS 727 Ca 0.00 1.15 -0.22 0.00 0.02 0.00 0.00 55.97 56.92 3fki s LYS 727 Cb 0.00 -1.91 -0.06 0.00 -0.52 0.00 0.00 37.83 35.34 3fki s LYS 727 CO 0.00 -1.58 1.20 -0.98 -0.92 0.00 0.00 175.35 173.06 3fki s ARG 728 N -4.90 3.48 -0.36 1.68 1.70 -1.26 -5.00 118.95 114.28 3fki s ARG 728 Ca 0.61 1.83 -0.20 0.00 -0.47 0.00 0.00 55.73 57.50 3fki s ARG 728 Cb -0.17 -2.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.97 3fki s ARG 728 CO 0.56 -0.80 0.59 0.42 -1.08 0.00 0.00 175.30 174.99 3fki s ILE 729 N -1.55 4.93 0.42 4.99 1.01 -1.26 -5.06 121.20 124.68 3fki s ILE 729 Ca 0.68 0.44 -0.04 0.00 0.00 0.00 0.00 60.65 61.73 3fki s ILE 729 Cb -0.30 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3fki s ILE 729 CO 0.35 -0.31 0.70 -0.13 0.00 0.00 0.00 174.94 175.55 3fki s ARG 730 N 2.60 3.56 0.73 2.79 0.52 -1.26 -5.08 118.95 122.82 3fki s ARG 730 Ca 0.22 0.08 -0.11 0.00 -0.52 0.00 0.00 55.73 55.40 3fki s ARG 730 Cb -0.15 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 32.88 3fki s ARG 730 CO 0.15 -0.06 1.08 0.08 0.02 0.00 0.00 175.30 176.57 3fki s VAL 731 N -2.53 3.57 0.76 3.52 1.01 -1.26 -5.02 120.40 120.45 3fki s VAL 731 Ca 0.46 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 3fki s VAL 731 Cb -0.10 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.23 3fki s VAL 731 CO 0.40 -0.65 1.10 -0.44 0.00 0.00 0.00 175.10 175.51 3fki s SER 732 N -3.45 4.45 -1.18 3.32 0.01 -1.26 -4.96 113.70 110.63 3fki s SER 732 Ca 0.61 1.90 -0.04 0.00 1.31 0.00 0.00 55.95 59.73 3fki s SER 732 Cb -0.16 -2.53 0.22 0.00 0.21 0.00 0.00 66.02 63.76 3fki s SER 732 CO 0.54 -2.07 2.02 1.41 0.41 0.00 0.00 173.24 175.55 3fki n HIS 733 N -3.38 2.65 -2.65 2.43 -0.00 -1.26 -5.00 115.22 108.01 3fki n HIS 733 Ca 0.10 -2.69 -0.41 0.00 -0.00 0.00 0.00 57.72 54.72 3fki n HIS 733 Cb 0.53 -1.53 -0.05 0.00 -0.00 0.00 0.00 29.99 28.93 3fki n HIS 733 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3fki s HIS 734 N -2.42 3.79 0.39 4.41 3.76 -1.26 -4.87 115.29 119.09 3fki s HIS 734 Ca 0.44 1.78 0.00 0.00 -0.15 0.00 0.00 55.06 57.13 3fki s HIS 734 Cb 0.16 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.74 3fki s HIS 734 CO -0.08 0.01 0.00 0.00 -0.85 0.00 0.00 174.74 173.82 3fki n ALA 735 N 2.08 -1.60 -3.27 -1.40 0.00 -1.26 -4.91 120.51 110.15 3fki n ALA 735 Ca 0.01 0.33 -0.26 0.00 0.00 0.00 0.00 53.44 53.51 3fki n ALA 735 Cb 0.47 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 3fki n ALA 735 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fki n THR 736 N -1.80 2.07 -1.70 0.00 -2.24 -1.26 -4.80 114.28 104.55 3fki n THR 736 Ca 0.00 -5.14 0.04 0.00 -2.27 0.00 0.00 64.05 56.68 3fki n THR 736 Cb 0.21 -1.84 0.06 0.00 -2.10 0.00 0.00 70.33 66.66 3fki n THR 736 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3fki n THR 737 N 0.63 0.72 -1.88 4.28 -2.24 -1.26 -5.01 114.28 109.52 3fki n THR 737 Ca 0.29 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 3fki n THR 737 Cb 0.43 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 3fki n THR 737 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3fki s PHE 738 N -1.09 2.89 -0.13 4.78 0.40 -1.26 -4.77 117.98 118.79 3fki s PHE 738 Ca 0.14 0.83 0.02 0.00 -0.60 0.00 0.00 56.93 57.32 3fki s PHE 738 Cb 0.13 -3.97 -0.09 0.00 0.51 0.00 0.00 43.02 39.60 3fki s PHE 738 CO -0.00 -3.29 -0.10 0.25 0.70 0.00 0.00 175.22 172.78 3fki n THR 739 N 2.54 0.75 -4.38 0.64 -2.24 -1.03 -4.72 114.28 105.83 3fki n THR 739 Ca 0.09 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 3fki n THR 739 Cb 0.38 -0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 3fki n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fki s HIS 740 N -2.26 1.78 0.01 4.78 3.76 -0.72 0.24 115.29 122.88 3fki s HIS 740 Ca -0.16 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.00 3fki s HIS 740 Cb 0.04 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 3fki s HIS 740 CO 0.32 0.18 -0.05 0.00 -0.85 0.00 0.00 174.74 174.33 3fki s GLU 742 N -0.74 4.60 -0.01 0.00 2.56 -0.35 -0.77 118.70 123.98 3fki s GLU 742 Ca -0.04 1.80 -0.18 0.00 0.00 0.00 0.00 54.97 56.55 3fki s GLU 742 Cb -0.05 -3.22 -0.10 0.00 2.00 0.00 0.00 34.13 32.76 3fki s GLU 742 CO -0.00 0.11 0.81 0.82 -0.56 0.00 0.00 175.26 176.45 3fki h ILE 743 N 3.40 0.00 -2.29 -3.70 1.08 -1.88 -3.44 117.51 110.67 3fki h ILE 743 Ca -0.46 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 63.61 3fki h ILE 743 Cb 1.21 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.72 3fki h ILE 743 CO 0.70 0.00 -0.21 -2.28 -0.69 0.00 0.00 178.15 175.67 3fki s HIS 744 N -3.70 -0.98 -1.15 1.37 2.46 -1.26 -4.93 115.29 107.11 3fki s HIS 744 Ca -0.09 1.84 0.02 0.00 0.47 0.00 0.00 55.06 57.30 3fki s HIS 744 Cb 0.01 0.51 0.11 0.00 -0.13 0.00 0.00 32.58 33.08 3fki s HIS 744 CO 0.28 -0.52 1.01 -0.35 -2.47 0.00 0.00 174.74 172.69 3fki n PRO 745 N 4.99 0.01 0.03 2.88 -0.04 -1.26 -1.66 135.00 139.95 3fki n PRO 745 Ca -0.14 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 3fki n PRO 745 Cb 0.52 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.92 3fki n PRO 745 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3fki n SER 746 N -1.43 0.18 -0.78 3.54 3.41 -1.26 -3.32 113.62 113.97 3fki n SER 746 Ca 0.01 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 3fki n SER 746 Cb 0.02 -0.58 0.25 0.00 -0.26 0.00 0.00 64.21 63.65 3fki n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3fki n MET 747 N -1.69 2.00 0.20 4.33 2.81 -0.67 -3.47 117.12 120.64 3fki n MET 747 Ca 0.04 -1.53 0.13 0.00 -1.81 0.00 0.00 57.70 54.53 3fki n MET 747 Cb 0.25 -1.38 0.30 0.00 -0.71 0.00 0.00 33.22 31.68 3fki n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 3fki h ILE 748 N 2.71 0.00 -4.43 2.02 3.07 -1.79 -3.28 117.51 115.82 3fki h ILE 748 Ca 0.00 -0.79 -0.49 0.00 1.55 0.00 0.00 64.86 65.13 3fki h ILE 748 Cb 0.61 1.78 0.09 0.00 -0.27 0.00 0.00 36.82 39.03 3fki h ILE 748 CO 0.00 0.00 0.39 -0.76 -1.05 0.00 0.00 178.15 176.73 3fki s LEU 749 N -5.79 2.74 -0.29 0.16 1.43 -1.23 -4.01 118.68 111.70 3fki s LEU 749 Ca 0.07 1.15 -0.02 0.00 -1.03 0.00 0.00 54.13 54.30 3fki s LEU 749 Cb 0.07 -3.84 0.10 0.00 0.03 0.00 0.00 46.19 42.55 3fki s LEU 749 CO 0.63 -1.63 0.10 -0.83 0.23 0.00 0.00 176.35 174.85 3fki s GLY 750 N -4.23 0.89 0.00 -3.19 0.00 -1.26 -1.99 107.32 97.55 3fki s GLY 750 Ca 0.59 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3fki s GLY 750 CO 0.52 1.70 0.00 -0.62 0.00 0.00 0.00 173.10 174.70 3fki n VAL 751 N 4.96 0.00 0.02 1.40 0.31 -1.26 -3.28 118.33 120.49 3fki n VAL 751 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.26 3fki n VAL 751 Cb 0.43 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.55 3fki n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fki h ALA 752 N -0.78 1.08 0.00 3.52 0.00 -1.91 -2.48 119.26 118.69 3fki h ALA 752 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3fki h ALA 752 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3fki h ALA 752 CO 0.00 0.57 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 3fki h ALA 753 N 1.30 0.87 0.00 0.00 0.00 -1.91 -3.24 119.26 116.28 3fki h ALA 753 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3fki h ALA 753 Cb 0.71 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fki h ALA 753 CO 0.05 0.39 -0.04 0.77 0.00 0.00 0.00 179.25 180.43 3fki h SER 754 N 0.00 0.00 0.91 0.00 0.02 -1.68 -2.88 113.55 109.91 3fki h SER 754 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3fki h SER 754 Cb 1.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3fki h SER 754 CO 0.04 0.04 -0.51 0.40 -1.14 0.00 0.00 176.83 175.65 3fki h ILE 755 N 0.00 1.09 -2.62 3.27 2.04 -1.57 -3.44 117.51 116.28 3fki h ILE 755 Ca -0.00 -1.96 -0.54 0.00 1.00 0.00 0.00 64.86 63.36 3fki h ILE 755 Cb 0.62 2.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3fki h ILE 755 CO 0.00 0.50 1.07 -0.63 0.00 0.00 0.00 178.15 179.09 3fki s ILE 756 N -3.42 3.33 0.12 -0.67 1.01 -1.09 -4.86 121.20 115.63 3fki s ILE 756 Ca 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 3fki s ILE 756 Cb 0.11 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 3fki s ILE 756 CO 0.73 -0.03 1.06 -2.16 0.00 0.00 0.00 174.94 174.53 3fki s PRO 757 N 3.55 4.60 -1.15 2.79 0.04 -1.26 -4.12 135.00 139.45 3fki s PRO 757 Ca 0.75 1.61 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 3fki s PRO 757 Cb -0.37 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.84 3fki s PRO 757 CO 0.32 0.06 0.77 1.19 0.04 0.00 0.00 177.00 179.38 3fki n PHE 758 N 2.90 -1.81 0.26 0.56 3.01 -0.81 -4.84 117.46 116.73 3fki n PHE 758 Ca 0.04 0.37 0.15 0.00 1.01 0.00 0.00 57.45 59.02 3fki n PHE 758 Cb 0.48 -3.29 0.66 0.00 -0.01 0.00 0.00 39.48 37.31 3fki n PHE 758 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3fki h PRO 759 N -2.03 0.00 -0.31 -1.08 0.13 -1.85 -2.67 132.00 124.20 3fki h PRO 759 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3fki h PRO 759 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3fki h PRO 759 CO 0.49 0.09 0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 3fki n ASP 760 N -3.26 0.31 0.00 1.44 5.75 -1.26 -2.28 116.55 117.26 3fki n ASP 760 Ca -0.00 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 3fki n ASP 760 Cb 0.32 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3fki n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3fki n HIS 761 N -0.18 0.00 -3.00 2.11 8.25 -1.00 -5.08 115.22 116.31 3fki n HIS 761 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 3fki n HIS 761 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3fki n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3fki s ASN 762 N -0.16 6.12 0.19 0.41 0.01 -0.96 -3.85 114.94 116.69 3fki s ASN 762 Ca 0.00 0.56 0.18 0.00 -0.71 0.00 0.00 52.86 52.89 3fki s ASN 762 Cb 0.00 -1.94 0.82 0.00 0.41 0.00 0.00 41.25 40.53 3fki s ASN 762 CO 0.00 -0.53 1.55 1.67 -1.51 0.00 0.00 177.10 178.28 3fki n GLN 763 N -2.05 0.11 0.00 -0.60 7.27 -1.15 -4.93 117.38 116.03 3fki n GLN 763 Ca -0.01 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.51 3fki n GLN 763 Cb 0.56 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.45 3fki n GLN 763 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3fki n SER 764 N -1.99 0.00 -0.12 1.69 2.88 -1.26 -4.71 113.62 110.11 3fki n SER 764 Ca 0.01 0.00 0.26 0.00 -1.33 0.00 0.00 58.87 57.82 3fki n SER 764 Cb 0.14 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.32 3fki n SER 764 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3fki h PRO 765 N 0.00 0.00 0.00 -1.46 0.11 -1.97 -0.66 132.00 128.02 3fki h PRO 765 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3fki h PRO 765 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3fki h PRO 765 CO 0.00 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 177.52 3fki h ARG 766 N 0.00 0.00 -0.06 1.05 2.47 -1.87 0.61 114.38 116.58 3fki h ARG 766 Ca 0.37 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.91 3fki h ARG 766 Cb 1.55 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.87 3fki h ARG 766 CO -0.00 0.27 -0.76 -0.91 0.56 0.00 0.00 179.97 179.13 3fki h ASN 767 N 0.00 0.43 -0.53 7.04 2.35 -1.42 -2.85 115.58 120.60 3fki h ASN 767 Ca -0.00 -0.30 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 3fki h ASN 767 Cb 0.51 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3fki h ASN 767 CO 0.04 1.04 -0.11 0.74 -1.65 0.00 0.00 177.43 177.48 3fki h THR 768 N 0.24 1.27 -0.51 2.81 2.02 -0.88 0.93 112.91 118.79 3fki h THR 768 Ca -0.04 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 3fki h THR 768 Cb 1.34 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3fki h THR 768 CO 0.13 0.45 0.27 1.88 0.37 0.00 0.00 175.52 178.61 3fki h TYR 769 N 0.91 0.71 -0.08 3.16 0.05 -0.97 -2.89 116.97 117.85 3fki h TYR 769 Ca 0.14 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.80 3fki h TYR 769 Cb 0.68 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 3fki h TYR 769 CO 0.05 0.54 -0.39 0.37 -1.05 0.00 0.00 178.16 177.68 3fki h GLN 770 N 0.67 0.17 -0.72 4.88 5.75 -1.30 -2.03 115.11 122.54 3fki h GLN 770 Ca 0.18 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 3fki h GLN 770 Cb 0.07 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 3fki h GLN 770 CO -0.03 0.54 0.41 0.77 -2.65 0.00 0.00 178.83 177.87 3fki h SER 771 N 0.15 0.60 0.70 -0.69 0.02 -0.60 -1.57 113.55 112.16 3fki h SER 771 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3fki h SER 771 Cb 0.75 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3fki h SER 771 CO 0.06 0.38 -0.51 0.00 -1.14 0.00 0.00 176.83 175.62 3fki n ALA 772 N -2.36 3.17 0.14 3.77 0.00 -1.17 -4.07 120.51 119.99 3fki n ALA 772 Ca 0.10 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.36 3fki n ALA 772 Cb 0.19 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.52 3fki n ALA 772 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3fki h MET 773 N 0.00 0.00 0.00 0.00 -1.53 -0.56 -3.26 114.93 109.58 3fki h MET 773 Ca 0.00 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 3fki h MET 773 Cb 0.60 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.65 3fki h MET 773 CO 0.00 0.03 -0.12 0.78 0.14 0.00 0.00 176.91 177.74 3fki h GLY 774 N 3.97 0.00 1.19 1.39 0.00 -1.47 -3.01 103.07 105.15 3fki h GLY 774 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 3fki h GLY 774 CO 0.00 0.00 -0.57 0.50 0.00 0.00 0.00 176.54 176.47 3fki h LYS 775 N 0.00 0.85 0.00 4.80 6.56 -1.79 -3.18 116.57 123.81 3fki h LYS 775 Ca -0.00 -0.55 0.00 0.00 -1.06 0.00 0.00 60.65 59.04 3fki h LYS 775 Cb 0.54 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 3fki h LYS 775 CO 0.02 1.18 0.00 1.96 -2.06 0.00 0.00 179.45 180.55 3fki h GLN 776 N 0.64 0.00 -7.27 3.15 4.20 -1.68 -3.43 115.11 110.73 3fki h GLN 776 Ca 0.01 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.24 3fki h GLN 776 Cb 1.18 0.00 0.18 0.00 0.30 0.00 0.00 27.48 29.13 3fki h GLN 776 CO 0.12 0.00 0.18 0.00 -0.67 0.00 0.00 178.83 178.46 3fki s ALA 777 N -3.45 0.95 0.36 3.87 0.00 -1.20 -0.30 121.76 121.99 3fki s ALA 777 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.12 3fki s ALA 777 Cb 0.09 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.97 3fki s ALA 777 CO 0.52 -2.88 0.31 -1.33 0.00 0.00 0.00 175.76 172.39 3fki n MET 778 N -4.26 0.92 0.00 0.00 2.81 -0.07 -4.40 117.12 112.13 3fki n MET 778 Ca 0.07 -2.20 0.00 0.00 -1.81 0.00 0.00 57.70 53.76 3fki n MET 778 Cb 0.54 0.17 0.00 0.00 -0.71 0.00 0.00 33.22 33.22 3fki n MET 778 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fki n GLY 779 N 0.64 0.94 3.47 3.03 0.00 -1.26 -4.61 105.19 107.39 3fki n GLY 779 Ca 0.01 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3fki n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 780 N -1.86 4.47 0.11 1.61 1.01 -1.25 -4.03 120.40 120.45 3fki s VAL 780 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 3fki s VAL 780 Cb 0.00 -4.56 -0.17 0.00 0.00 0.00 0.00 36.38 31.65 3fki s VAL 780 CO 0.00 -1.23 1.30 2.19 0.00 0.00 0.00 175.10 177.36 3fki h PHE 781 N 9.37 1.00 -3.58 5.22 -5.15 -1.84 -3.37 116.94 118.60 3fki h PHE 781 Ca -0.28 -0.47 -0.09 0.00 -0.20 0.00 0.00 57.97 56.93 3fki h PHE 781 Cb 1.08 -0.15 -0.15 0.00 0.22 0.00 0.00 35.95 36.95 3fki h PHE 781 CO 0.91 1.29 -0.32 -0.51 -2.00 0.00 0.00 178.31 177.68 3fki s LEU 782 N -8.28 1.17 0.03 2.10 1.43 -1.26 -4.21 118.68 109.66 3fki s LEU 782 Ca -0.10 -0.43 0.28 0.00 -1.03 0.00 0.00 54.13 52.85 3fki s LEU 782 Cb 0.08 1.17 1.06 0.00 0.03 0.00 0.00 46.19 48.53 3fki s LEU 782 CO 0.90 -0.67 1.82 0.35 0.23 0.00 0.00 176.35 178.99 3fki n THR 783 N 0.28 0.10 -1.16 5.49 -2.24 -1.26 -3.86 114.28 111.63 3fki n THR 783 Ca -0.17 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 3fki n THR 783 Cb 0.61 -0.41 0.24 0.00 -2.10 0.00 0.00 70.33 68.67 3fki n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3fki n ASN 784 N -1.63 4.20 0.18 3.42 6.94 -1.26 -4.57 115.26 122.54 3fki n ASN 784 Ca 0.06 -3.44 0.13 0.00 -0.02 0.00 0.00 54.58 51.32 3fki n ASN 784 Cb 0.36 -0.79 0.62 0.00 -2.36 0.00 0.00 39.78 37.61 3fki n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3fki h TYR 785 N 1.77 0.00 -0.98 -2.53 -0.00 -1.95 -2.72 116.97 110.56 3fki h TYR 785 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 58.73 59.21 3fki h TYR 785 Cb 2.57 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 39.24 3fki h TYR 785 CO 1.43 0.00 0.64 -0.91 -0.00 0.00 0.00 178.16 179.32 3fki h ASN 786 N 0.00 1.08 -2.04 0.10 -0.26 -1.93 -3.18 115.58 109.36 3fki h ASN 786 Ca 0.00 -0.02 -0.58 0.00 -0.56 0.00 0.00 56.30 55.14 3fki h ASN 786 Cb 0.23 -0.25 -0.42 0.00 -1.06 0.00 0.00 38.32 36.82 3fki h ASN 786 CO 0.00 0.75 -0.70 0.52 -1.06 0.00 0.00 177.43 176.94 3fki n VAL 787 N -4.42 2.71 -4.00 2.81 0.31 -1.03 -5.02 118.33 109.69 3fki n VAL 787 Ca 0.13 -5.32 -0.18 0.00 -0.01 0.00 0.00 64.34 58.96 3fki n VAL 787 Cb 0.07 -1.28 -0.16 0.00 -0.91 0.00 0.00 33.84 31.56 3fki n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3fki s ARG 788 N -3.45 0.46 -0.94 5.55 0.52 -1.20 -5.04 118.95 114.86 3fki s ARG 788 Ca 0.48 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 3fki s ARG 788 Cb 0.32 -0.59 0.32 0.00 0.52 0.00 0.00 34.95 35.53 3fki s ARG 788 CO -0.15 -0.11 1.62 -1.33 0.02 0.00 0.00 175.30 175.35 3fki n MET 789 N 4.09 4.93 -2.49 3.54 2.81 -1.26 -5.00 117.12 123.74 3fki n MET 789 Ca -0.26 -4.71 -0.41 0.00 -1.81 0.00 0.00 57.70 50.51 3fki n MET 789 Cb 0.50 -2.42 -0.04 0.00 -0.71 0.00 0.00 33.22 30.55 3fki n MET 789 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fki s ASP 790 N -1.81 7.22 0.62 7.83 1.01 -1.26 -4.90 116.67 125.38 3fki s ASP 790 Ca 0.41 2.10 0.38 0.00 0.71 0.00 0.00 52.55 56.15 3fki s ASP 790 Cb 0.20 -2.60 2.05 0.00 1.01 0.00 0.00 42.92 43.58 3fki s ASP 790 CO -0.12 -0.27 2.26 0.71 0.21 0.00 0.00 175.17 177.97 3fki h THR 791 N 3.81 0.18 -2.40 -1.27 1.35 -1.90 -3.31 112.91 109.38 3fki h THR 791 Ca -0.44 -0.14 -0.06 0.00 -0.55 0.00 0.00 66.41 65.22 3fki h THR 791 Cb 1.21 1.11 -0.25 0.00 -1.73 0.00 0.00 68.15 68.49 3fki h THR 791 CO 0.73 0.02 -0.27 -0.32 -0.25 0.00 0.00 175.52 175.43 3fki s MET 792 N -4.19 0.42 0.01 4.72 -2.45 -1.26 -3.72 119.30 112.84 3fki s MET 792 Ca -0.04 1.08 0.00 0.00 -1.25 0.00 0.00 55.69 55.48 3fki s MET 792 Cb 0.13 0.33 -0.01 0.00 1.25 0.00 0.00 34.83 36.53 3fki s MET 792 CO 0.48 -0.21 -0.02 0.00 1.05 0.00 0.00 175.02 176.31 3fki s ALA 793 N 2.30 0.13 -0.04 4.11 0.00 -0.48 -4.97 121.76 122.82 3fki s ALA 793 Ca -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3fki s ALA 793 Cb -0.10 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3fki s ALA 793 CO -0.15 -0.08 -0.04 -0.80 0.00 0.00 0.00 175.76 174.70 3fki s ASN 794 N -0.87 0.82 -0.04 0.00 0.01 -1.26 -1.04 114.94 112.56 3fki s ASN 794 Ca -0.09 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 3fki s ASN 794 Cb -0.06 -0.37 0.03 0.00 0.41 0.00 0.00 41.25 41.26 3fki s ASN 794 CO -0.00 -0.04 0.00 -0.63 -1.51 0.00 0.00 177.10 174.92 3fki s ILE 795 N 0.79 0.19 0.20 0.60 1.01 -1.06 -4.02 121.20 118.91 3fki s ILE 795 Ca -0.10 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 3fki s ILE 795 Cb -0.13 -0.30 -0.08 0.00 0.01 0.00 0.00 42.46 41.96 3fki s ILE 795 CO -0.00 0.16 1.15 -0.22 0.00 0.00 0.00 174.94 176.04 3fki s LEU 796 N 1.22 4.48 0.08 2.97 2.96 -1.26 0.47 118.68 129.61 3fki s LEU 796 Ca -0.07 2.21 -0.34 0.00 -0.22 0.00 0.00 54.13 55.71 3fki s LEU 796 Cb -0.13 -3.61 -0.17 0.00 0.50 0.00 0.00 46.19 42.78 3fki s LEU 796 CO -0.02 -0.29 1.59 1.88 -1.32 0.00 0.00 176.35 178.19 3fki h TYR 797 N 4.89 -1.17 -3.20 5.38 -1.99 -1.22 -3.38 116.97 116.28 3fki h TYR 797 Ca -0.45 -0.00 -0.63 0.00 2.00 0.00 0.00 58.73 59.65 3fki h TYR 797 Cb 1.21 0.43 -0.41 0.00 2.00 0.00 0.00 36.73 39.97 3fki h TYR 797 CO 0.62 -0.63 -0.64 0.71 -0.00 0.00 0.00 178.16 178.22 3fki s TYR 798 N -5.96 3.02 0.48 4.88 1.51 -1.26 -5.09 117.35 114.94 3fki s TYR 798 Ca -0.18 -3.07 -0.22 0.00 -1.01 0.00 0.00 57.07 52.59 3fki s TYR 798 Cb 0.04 -2.58 -0.07 0.00 -0.11 0.00 0.00 41.96 39.25 3fki s TYR 798 CO 0.61 -0.70 1.17 -2.14 -1.11 0.00 0.00 175.55 173.38 3fki s PRO 799 N -0.49 3.63 -0.03 -1.71 0.02 -1.26 -4.86 135.00 130.29 3fki s PRO 799 Ca 0.20 1.76 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 3fki s PRO 799 Cb -0.19 -2.30 0.03 0.00 0.02 0.00 0.00 34.50 32.06 3fki s PRO 799 CO -0.05 -0.66 0.04 -0.65 -0.33 0.00 0.00 177.00 175.35 3fki s GLN 800 N -2.85 -0.01 -0.06 5.54 -0.21 -1.13 -5.01 119.66 115.93 3fki s GLN 800 Ca 0.66 0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.98 3fki s GLN 800 Cb -0.28 -0.37 -0.04 0.00 1.00 0.00 0.00 33.01 33.32 3fki s GLN 800 CO 0.33 -0.22 1.39 -1.59 -2.12 0.00 0.00 175.29 173.09 3fki s LYS 801 N 1.44 4.26 0.55 2.91 -2.85 -1.26 -4.59 119.74 120.20 3fki s LYS 801 Ca -0.04 1.90 -0.20 0.00 -1.00 0.00 0.00 55.97 56.63 3fki s LYS 801 Cb -0.13 -3.70 -0.07 0.00 -2.06 0.00 0.00 37.83 31.87 3fki s LYS 801 CO -0.03 -0.65 0.95 -0.35 0.10 0.00 0.00 175.35 175.37 3fki n PRO 802 N 6.02 1.02 -0.14 1.78 -0.04 -1.26 -4.93 135.00 137.44 3fki n PRO 802 Ca 0.14 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.87 3fki n PRO 802 Cb 0.44 -2.11 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 3fki n PRO 802 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3fki h LEU 803 N 0.79 0.81 -8.85 1.53 3.38 -1.94 -3.40 115.31 107.63 3fki h LEU 803 Ca -0.47 -0.37 -0.58 0.00 0.09 0.00 0.00 57.88 56.54 3fki h LEU 803 Cb 1.36 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 3fki h LEU 803 CO 0.52 1.00 0.69 -0.83 0.09 0.00 0.00 178.44 179.91 3fki s GLY 804 N -3.52 1.54 0.12 0.83 0.00 -1.26 -0.92 107.32 104.10 3fki s GLY 804 Ca -0.12 -0.37 0.08 0.00 0.00 0.00 0.00 44.72 44.31 3fki s GLY 804 CO 0.82 2.11 -0.19 -0.51 0.00 0.00 0.00 173.10 175.33 3fki s THR 805 N 3.61 1.68 0.10 0.90 -4.23 0.95 -4.92 115.64 113.72 3fki s THR 805 Ca 0.41 -1.62 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 3fki s THR 805 Cb -0.11 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 3fki s THR 805 CO 0.19 -0.15 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.18 3fki s THR 806 N -1.42 3.67 0.46 3.99 2.01 -1.26 0.02 115.64 123.11 3fki s THR 806 Ca 0.08 -1.15 0.41 0.00 0.31 0.00 0.00 61.69 61.34 3fki s THR 806 Cb -0.09 -2.74 0.43 0.00 0.01 0.00 0.00 72.50 70.11 3fki s THR 806 CO 0.05 0.11 2.24 0.03 -0.69 0.00 0.00 174.62 176.35 3fki h ARG 807 N 3.51 0.00 0.00 4.92 2.47 -1.95 -1.64 114.38 121.68 3fki h ARG 807 Ca -0.48 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.16 3fki h ARG 807 Cb 1.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 3fki h ARG 807 CO 0.56 0.00 -0.39 0.00 0.56 0.00 0.00 179.97 180.70 3fki h ALA 808 N 2.00 1.04 0.00 0.04 0.00 -1.95 -3.13 119.26 117.27 3fki h ALA 808 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3fki h ALA 808 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fki h ALA 808 CO 0.00 0.48 -0.17 0.52 0.00 0.00 0.00 179.25 180.08 3fki h MET 809 N 0.00 0.00 -0.74 0.00 2.86 -1.59 -1.45 114.93 114.01 3fki h MET 809 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fki h MET 809 Cb 0.87 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 3fki h MET 809 CO 0.05 0.17 0.45 1.49 1.06 0.00 0.00 176.91 180.13 3fki h GLU 810 N 0.00 1.00 0.00 1.72 4.81 -1.68 -1.89 114.58 118.54 3fki h GLU 810 Ca -0.00 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 3fki h GLU 810 Cb 0.37 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3fki h GLU 810 CO 0.02 0.69 -1.73 0.66 -0.73 0.00 0.00 179.01 177.92 3fki n TYR 811 N -4.39 0.53 0.87 0.92 4.02 -1.03 -3.78 117.16 114.29 3fki n TYR 811 Ca 0.08 0.17 0.10 0.00 -0.01 0.00 0.00 57.90 58.24 3fki n TYR 811 Cb 0.06 -0.91 0.48 0.00 -0.02 0.00 0.00 39.34 38.95 3fki n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3fki n LEU 812 N -2.69 0.00 -2.70 7.72 4.77 -0.58 -4.89 117.00 118.64 3fki n LEU 812 Ca -0.13 0.36 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 3fki n LEU 812 Cb 0.82 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3fki n LEU 812 CO 0.43 -0.12 -0.14 0.29 -1.33 0.00 0.00 177.39 176.53 3fki n LYS 813 N -1.36 -2.99 0.11 3.23 4.76 -0.78 -4.89 118.16 116.25 3fki n LYS 813 Ca 0.08 0.86 -0.02 0.00 -2.87 0.00 0.00 58.31 56.36 3fki n LYS 813 Cb 0.19 -5.58 -0.01 0.00 -1.84 0.00 0.00 35.03 27.78 3fki n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3fki h PHE 814 N -0.54 0.00 0.00 2.13 3.57 -1.62 -2.63 116.94 117.85 3fki h PHE 814 Ca -0.47 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 3fki h PHE 814 Cb 1.33 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 3fki h PHE 814 CO 0.59 0.71 -0.16 0.00 -2.23 0.00 0.00 178.31 177.22 3fki h ARG 815 N 0.00 0.00 0.00 1.11 3.08 -1.90 -2.77 114.38 113.89 3fki h ARG 815 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3fki h ARG 815 Cb 1.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 3fki h ARG 815 CO 0.09 0.16 -1.41 0.39 -1.07 0.00 0.00 179.97 178.13 3fki n GLU 816 N -3.27 0.63 -3.63 0.04 4.71 -1.21 -4.74 120.64 113.17 3fki n GLU 816 Ca 0.01 0.10 -0.29 0.00 -0.01 0.00 0.00 57.16 56.96 3fki n GLU 816 Cb 0.43 -1.75 -0.13 0.00 -1.01 0.00 0.00 31.44 28.98 3fki n GLU 816 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3fki s LEU 817 N -5.37 2.12 1.10 -4.62 1.43 -0.99 -5.10 118.68 107.24 3fki s LEU 817 Ca -0.03 -2.48 -0.16 0.00 -1.03 0.00 0.00 54.13 50.43 3fki s LEU 817 Cb 0.10 -0.82 0.24 0.00 0.03 0.00 0.00 46.19 45.73 3fki s LEU 817 CO 0.82 -0.28 1.12 -2.84 0.23 0.00 0.00 176.35 175.40 3fki s PRO 818 N 0.60 -0.38 -0.05 1.29 0.02 -1.16 -4.54 135.00 130.78 3fki s PRO 818 Ca 0.18 0.13 -0.02 0.00 0.02 0.00 0.00 61.00 61.31 3fki s PRO 818 Cb -0.24 -1.68 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 3fki s PRO 818 CO 0.00 -3.19 -0.06 0.00 -0.33 0.00 0.00 177.00 173.42 3fki n ALA 819 N -4.43 2.41 -3.00 -1.55 0.00 -1.26 -3.93 120.51 108.75 3fki n ALA 819 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fki n ALA 819 Cb 0.59 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.45 3fki n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fki n GLY 820 N 2.84 5.42 2.98 0.00 0.00 -1.26 -4.07 105.19 111.09 3fki n GLY 820 Ca -0.10 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 3fki n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fki s GLN 821 N 3.67 0.31 -1.01 1.61 -0.21 -0.31 -2.82 119.66 120.89 3fki s GLN 821 Ca 0.00 -0.53 -0.23 0.00 0.02 0.00 0.00 55.36 54.62 3fki s GLN 821 Cb 0.00 0.01 0.05 0.00 1.00 0.00 0.00 33.01 34.07 3fki s GLN 821 CO 0.00 -0.02 1.47 -0.80 -2.12 0.00 0.00 175.29 173.82 3fki s ASN 822 N -1.23 6.44 0.12 5.90 0.01 -1.26 -1.28 114.94 123.64 3fki s ASN 822 Ca -0.12 -1.42 -0.23 0.00 -0.71 0.00 0.00 52.86 50.39 3fki s ASN 822 Cb -0.08 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.93 3fki s ASN 822 CO -0.01 -1.57 0.69 0.00 -1.51 0.00 0.00 177.10 174.71 3fki s ALA 823 N 5.21 3.50 -0.47 0.60 0.00 -0.70 -4.88 121.76 125.03 3fki s ALA 823 Ca 0.47 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 3fki s ALA 823 Cb -0.00 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3fki s ALA 823 CO -0.10 0.33 1.51 0.42 0.00 0.00 0.00 175.76 177.92 3fki s ILE 824 N -1.09 3.75 -0.15 0.00 -1.09 -1.26 -3.55 121.20 117.81 3fki s ILE 824 Ca 0.33 0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 59.39 3fki s ILE 824 Cb -0.22 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 3fki s ILE 824 CO 0.23 -0.85 0.10 -0.69 -1.23 0.00 0.00 174.94 172.50 3fki s VAL 825 N 6.18 5.14 -0.32 2.92 1.01 0.14 0.05 120.40 135.53 3fki s VAL 825 Ca 0.62 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3fki s VAL 825 Cb -0.14 -3.28 0.08 0.00 0.00 0.00 0.00 36.38 33.05 3fki s VAL 825 CO 0.29 0.53 0.01 0.00 0.00 0.00 0.00 175.10 175.93 3fki s ALA 826 N -0.29 2.81 -0.75 5.51 0.00 -0.14 -2.76 121.76 126.14 3fki s ALA 826 Ca 0.10 -2.21 -0.26 0.00 0.00 0.00 0.00 51.96 49.59 3fki s ALA 826 Cb -0.12 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.12 3fki s ALA 826 CO 0.01 -1.50 1.67 0.42 0.00 0.00 0.00 175.76 176.36 3fki s ILE 827 N 1.02 3.54 0.21 0.00 1.01 -1.15 -3.03 121.20 122.79 3fki s ILE 827 Ca 0.03 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.55 3fki s ILE 827 Cb -0.20 -4.35 0.02 0.00 0.01 0.00 0.00 42.46 37.95 3fki s ILE 827 CO -0.06 -1.29 0.53 0.00 0.00 0.00 0.00 174.94 174.12 3fki s ALA 828 N 7.88 -0.86 -0.19 9.38 0.00 -0.55 -4.30 121.76 133.12 3fki s ALA 828 Ca 0.56 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 3fki s ALA 828 Cb -0.09 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 3fki s ALA 828 CO 0.12 -0.83 0.19 0.00 0.00 0.00 0.00 175.76 175.24 3fki s TYR 830 N 0.52 -0.26 0.00 0.00 5.04 -1.26 -4.98 117.35 116.41 3fki s TYR 830 Ca 0.11 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 3fki s TYR 830 Cb -0.12 -0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.02 3fki s TYR 830 CO 0.01 -0.29 0.00 -1.13 -1.34 0.00 0.00 175.55 172.80 3fki n SER 831 N 5.21 0.00 0.00 4.32 3.41 -1.26 -3.33 113.62 121.97 3fki n SER 831 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3fki n SER 831 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3fki n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fki n GLY 832 N 0.00 0.00 0.01 5.00 0.00 -1.26 -5.06 105.19 103.88 3fki n GLY 832 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3fki n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fki n TYR 833 N 0.00 0.00 0.26 1.61 4.02 -1.21 -4.24 117.16 117.60 3fki n TYR 833 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 3fki n TYR 833 Cb 0.00 -0.35 0.16 0.00 -0.02 0.00 0.00 39.34 39.13 3fki n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3fki n ASN 834 N -2.03 2.88 -4.82 7.72 6.94 -1.26 -4.26 115.26 120.43 3fki n ASN 834 Ca -0.03 -2.37 -0.34 0.00 -0.02 0.00 0.00 54.58 51.83 3fki n ASN 834 Cb 0.41 -0.57 -0.07 0.00 -2.36 0.00 0.00 39.78 37.20 3fki n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3fki s GLN 835 N -1.71 4.27 -1.36 -3.83 0.74 -1.26 -3.50 119.66 113.01 3fki s GLN 835 Ca 0.22 1.08 -0.00 0.00 0.05 0.00 0.00 55.36 56.71 3fki s GLN 835 Cb 0.17 -2.38 0.00 0.00 1.10 0.00 0.00 33.01 31.90 3fki s GLN 835 CO 0.07 0.08 0.56 0.39 -0.55 0.00 0.00 175.29 175.84 3fki n GLU 836 N -0.29 -4.11 -3.17 1.67 -0.58 -1.26 -2.50 120.64 110.39 3fki n GLU 836 Ca 0.05 0.51 -0.15 0.00 -0.42 0.00 0.00 57.16 57.15 3fki n GLU 836 Cb 0.53 -4.86 0.06 0.00 -0.57 0.00 0.00 31.44 26.60 3fki n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3fki n ASP 837 N -3.02 -3.47 -4.73 1.62 10.43 -1.26 -5.04 116.55 111.07 3fki n ASP 837 Ca -0.30 -0.43 -0.27 0.00 2.57 0.00 0.00 54.79 56.36 3fki n ASP 837 Cb 0.68 -3.87 -0.07 0.00 1.84 0.00 0.00 41.12 39.69 3fki n ASP 837 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3fki s SER 838 N -3.66 4.27 -0.10 -2.24 1.04 -1.04 -3.68 113.70 108.30 3fki s SER 838 Ca 0.19 -1.26 -0.05 0.00 0.48 0.00 0.00 55.95 55.31 3fki s SER 838 Cb -0.09 -0.19 0.04 0.00 0.10 0.00 0.00 66.02 65.89 3fki s SER 838 CO 0.54 -0.64 0.23 0.00 0.98 0.00 0.00 173.24 174.35 3fki s MET 839 N -3.90 0.19 0.06 4.02 0.23 0.57 -4.27 119.30 116.20 3fki s MET 839 Ca 0.33 0.48 -0.30 0.00 -1.03 0.00 0.00 55.69 55.17 3fki s MET 839 Cb 0.04 -0.10 -0.05 0.00 -1.53 0.00 0.00 34.83 33.19 3fki s MET 839 CO 0.18 -0.15 0.96 0.42 -2.03 0.00 0.00 175.02 174.40 3fki s ILE 840 N 1.12 4.67 -0.08 3.16 1.01 -0.89 -0.45 121.20 129.74 3fki s ILE 840 Ca -0.08 2.04 0.04 0.00 0.00 0.00 0.00 60.65 62.64 3fki s ILE 840 Cb -0.10 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3fki s ILE 840 CO -0.07 0.25 -0.20 -0.32 0.00 0.00 0.00 174.94 174.60 3fki s MET 841 N 0.42 2.47 -0.29 2.79 1.75 -1.13 -0.42 119.30 124.89 3fki s MET 841 Ca 0.48 -0.73 -0.28 0.00 -1.25 0.00 0.00 55.69 53.92 3fki s MET 841 Cb -0.22 -1.95 -0.04 0.00 2.84 0.00 0.00 34.83 35.45 3fki s MET 841 CO 0.29 0.18 2.12 1.21 -0.65 0.00 0.00 175.02 178.17 3fki s ASN 842 N 0.31 5.45 0.19 1.11 3.04 0.64 -2.57 114.94 123.10 3fki s ASN 842 Ca -0.14 1.61 -0.11 0.00 0.04 0.00 0.00 52.86 54.26 3fki s ASN 842 Cb -0.16 -2.51 0.11 0.00 -1.54 0.00 0.00 41.25 37.14 3fki s ASN 842 CO 0.06 -2.01 1.80 -0.61 -3.04 0.00 0.00 177.10 173.30 3fki h GLN 843 N 15.00 0.91 -0.29 0.43 5.75 -0.18 -0.83 115.11 135.89 3fki h GLN 843 Ca -0.37 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.07 3fki h GLN 843 Cb 1.22 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 3fki h GLN 843 CO 1.01 0.69 0.20 0.77 -2.65 0.00 0.00 178.83 178.85 3fki h SER 844 N 0.90 0.15 -0.04 -0.69 0.02 -1.90 0.37 113.55 112.36 3fki h SER 844 Ca 0.23 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3fki h SER 844 Cb 0.04 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.56 3fki h SER 844 CO -0.04 0.10 -0.40 0.28 -1.14 0.00 0.00 176.83 175.63 3fki h SER 845 N 0.18 0.42 -0.79 3.07 0.02 -1.69 -3.12 113.55 111.64 3fki h SER 845 Ca 0.13 -0.70 0.07 0.00 -0.84 0.00 0.00 61.79 60.45 3fki h SER 845 Cb 0.30 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 3fki h SER 845 CO -0.02 1.06 0.46 0.40 -1.14 0.00 0.00 176.83 177.59 3fki h ILE 846 N -0.18 0.98 -0.90 3.27 2.04 -0.25 -2.28 117.51 120.19 3fki h ILE 846 Ca -0.04 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.62 3fki h ILE 846 Cb 1.09 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3fki h ILE 846 CO 0.08 0.15 0.58 0.44 0.00 0.00 0.00 178.15 179.40 3fki h ASP 847 N 0.83 0.86 0.10 1.72 5.19 -0.36 -1.57 116.42 123.18 3fki h ASP 847 Ca 0.36 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3fki h ASP 847 Cb 0.23 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3fki h ASP 847 CO -0.20 0.53 0.00 0.54 -3.12 0.00 0.00 179.24 176.99 3fki n ARG 848 N -4.51 0.86 0.00 3.56 1.74 -0.88 -4.84 116.66 112.59 3fki n ARG 848 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3fki n ARG 848 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3fki n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fki n GLY 849 N 0.95 1.60 3.72 -0.13 0.00 -0.60 -5.10 105.19 105.64 3fki n GLY 849 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3fki n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fki s LEU 850 N 0.00 4.41 0.00 0.99 2.96 -1.08 -3.59 118.68 122.36 3fki s LEU 850 Ca 0.00 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.04 3fki s LEU 850 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3fki s LEU 850 CO 0.00 -0.44 0.00 0.49 -1.32 0.00 0.00 176.35 175.08 3fki n PHE 851 N 3.32 0.00 -1.75 5.38 3.72 -1.26 -4.65 117.46 122.21 3fki n PHE 851 Ca 0.07 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 3fki n PHE 851 Cb 0.45 -1.88 0.04 0.00 -0.94 0.00 0.00 39.48 37.15 3fki n PHE 851 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3fki n ARG 852 N 0.44 1.72 -4.02 -1.08 1.74 -1.24 -4.61 116.66 109.62 3fki n ARG 852 Ca 0.00 0.63 -0.09 0.00 -0.77 0.00 0.00 57.85 57.62 3fki n ARG 852 Cb 0.41 -2.60 -0.08 0.00 -1.02 0.00 0.00 32.46 29.17 3fki n ARG 852 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fki s SER 853 N -0.91 0.19 0.07 0.55 1.04 -1.24 -0.65 113.70 112.77 3fki s SER 853 Ca 0.72 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 56.22 3fki s SER 853 Cb -0.41 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3fki s SER 853 CO 0.49 -0.78 0.03 -0.76 0.98 0.00 0.00 173.24 173.20 3fki s LEU 854 N -2.97 3.61 -0.13 2.42 1.43 0.18 -2.05 118.68 121.16 3fki s LEU 854 Ca 0.16 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3fki s LEU 854 Cb 0.05 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 44.00 3fki s LEU 854 CO -0.02 0.19 -0.13 0.12 0.23 0.00 0.00 176.35 176.74 3fki s PHE 855 N -1.31 1.94 -0.08 0.29 5.36 0.11 -2.58 117.98 121.71 3fki s PHE 855 Ca 0.26 -1.03 0.03 0.00 -0.96 0.00 0.00 56.93 55.23 3fki s PHE 855 Cb -0.12 -1.46 -0.02 0.00 -0.34 0.00 0.00 43.02 41.08 3fki s PHE 855 CO 0.19 -0.59 -0.17 -0.06 -1.46 0.00 0.00 175.22 173.13 3fki s PHE 856 N 1.45 2.66 -0.01 10.12 0.40 -0.20 -1.10 117.98 131.29 3fki s PHE 856 Ca 0.03 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.87 3fki s PHE 856 Cb -0.13 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.72 3fki s PHE 856 CO -0.08 -0.06 0.02 0.50 0.70 0.00 0.00 175.22 176.30 3fki s ARG 857 N -0.23 0.02 0.10 0.44 3.52 -0.63 -1.38 118.95 120.80 3fki s ARG 857 Ca -0.00 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.72 3fki s ARG 857 Cb -0.13 0.00 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 3fki s ARG 857 CO 0.03 -0.01 -0.21 -1.54 -0.81 0.00 0.00 175.30 172.76 3fki s SER 858 N 0.05 2.57 -0.07 -2.12 1.04 -1.24 -0.11 113.70 113.81 3fki s SER 858 Ca -0.00 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.78 3fki s SER 858 Cb -0.01 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.98 3fki s SER 858 CO -0.00 0.08 -0.14 -0.31 0.98 0.00 0.00 173.24 173.85 3fki s TYR 859 N -1.11 1.63 -0.02 5.02 1.51 -0.73 -4.77 117.35 118.89 3fki s TYR 859 Ca 0.07 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 3fki s TYR 859 Cb -0.10 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 3fki s TYR 859 CO 0.04 -0.32 0.03 -1.64 -1.11 0.00 0.00 175.55 172.55 3fki s MET 860 N 0.69 2.92 -0.20 -0.62 -1.94 -1.26 -2.52 119.30 116.37 3fki s MET 860 Ca -0.14 -0.53 -0.14 0.00 -1.71 0.00 0.00 55.69 53.17 3fki s MET 860 Cb -0.16 -2.76 0.06 0.00 2.01 0.00 0.00 34.83 33.98 3fki s MET 860 CO 0.03 0.64 0.50 0.34 -0.01 0.00 0.00 175.02 176.53 3fki s ASP 861 N -1.52 -0.60 0.09 3.03 -1.08 -1.01 -5.03 116.67 110.55 3fki s ASP 861 Ca 0.20 1.06 0.07 0.00 -0.52 0.00 0.00 52.55 53.35 3fki s ASP 861 Cb -0.12 0.99 -0.04 0.00 -1.46 0.00 0.00 42.92 42.29 3fki s ASP 861 CO 0.10 -0.19 -0.10 -1.10 0.52 0.00 0.00 175.17 174.40 3fki s GLN 862 N 0.97 2.18 -0.57 4.34 -0.21 -1.26 -1.61 119.66 123.49 3fki s GLN 862 Ca -0.06 -0.98 -0.26 0.00 0.02 0.00 0.00 55.36 54.08 3fki s GLN 862 Cb -0.06 -2.32 0.04 0.00 1.00 0.00 0.00 33.01 31.67 3fki s GLN 862 CO -0.08 0.52 1.04 -1.21 -2.12 0.00 0.00 175.29 173.44 3fki s GLU 863 N -2.04 3.38 -0.65 2.91 2.02 -0.98 -5.00 118.70 118.34 3fki s GLU 863 Ca 0.20 -0.11 -0.27 0.00 0.02 0.00 0.00 54.97 54.81 3fki s GLU 863 Cb -0.11 -4.05 0.01 0.00 0.10 0.00 0.00 34.13 30.08 3fki s GLU 863 CO 0.12 -1.58 1.48 0.15 0.02 0.00 0.00 175.26 175.45 3fki s LYS 864 N 4.35 3.07 -0.07 1.61 1.02 -1.26 -4.72 119.74 123.74 3fki s LYS 864 Ca 0.34 0.19 -0.19 0.00 0.02 0.00 0.00 55.97 56.33 3fki s LYS 864 Cb -0.11 -4.22 -0.05 0.00 -0.52 0.00 0.00 37.83 32.94 3fki s LYS 864 CO 0.21 -2.25 0.54 0.21 -0.92 0.00 0.00 175.35 173.14 3fki s LYS 865 N 6.02 4.31 0.17 1.68 2.20 -1.26 -3.62 119.74 129.25 3fki s LYS 865 Ca 0.49 0.59 0.05 0.00 -0.36 0.00 0.00 55.97 56.73 3fki s LYS 865 Cb -0.10 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3fki s LYS 865 CO 0.19 0.25 0.19 0.71 -0.36 0.00 0.00 175.35 176.33 3fki s TYR 866 N 0.29 3.25 0.13 4.03 1.51 0.79 -4.96 117.35 122.39 3fki s TYR 866 Ca 0.29 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.33 3fki s TYR 866 Cb -0.16 -1.55 0.24 0.00 -0.11 0.00 0.00 41.96 40.38 3fki s TYR 866 CO 0.14 0.51 0.72 0.41 -1.11 0.00 0.00 175.55 176.22 3fki n GLY 867 N -0.54 -0.75 2.75 0.71 0.00 -1.26 -1.46 105.19 104.65 3fki n GLY 867 Ca -0.08 0.49 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 3fki n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fki n MET 868 N -4.71 3.49 -1.35 1.61 2.81 -1.26 -4.83 117.12 112.88 3fki n MET 868 Ca 0.08 -3.60 -0.13 0.00 -1.81 0.00 0.00 57.70 52.24 3fki n MET 868 Cb 0.25 -2.32 -0.06 0.00 -0.71 0.00 0.00 33.22 30.38 3fki n MET 868 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3fki n SER 869 N -0.02 -5.07 -4.59 7.83 7.64 -0.53 -4.93 113.62 113.94 3fki n SER 869 Ca 0.52 0.33 -0.43 0.00 1.01 0.00 0.00 58.87 60.30 3fki n SER 869 Cb 0.29 -4.05 -0.02 0.00 -1.01 0.00 0.00 64.21 59.42 3fki n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fki s ILE 870 N -2.09 4.17 0.03 0.44 1.01 -1.15 -4.89 121.20 118.73 3fki s ILE 870 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 60.65 61.79 3fki s ILE 870 Cb 0.00 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 3fki s ILE 870 CO 0.00 -1.10 -0.11 -0.89 0.00 0.00 0.00 174.94 172.84 3fki s THR 871 N 4.55 3.28 0.87 2.92 2.01 -1.26 -0.15 115.64 127.87 3fki s THR 871 Ca 0.46 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 3fki s THR 871 Cb -0.07 -2.43 0.11 0.00 0.01 0.00 0.00 72.50 70.12 3fki s THR 871 CO 0.30 0.34 1.09 -1.61 -0.69 0.00 0.00 174.62 174.05 3fki s GLU 872 N -1.52 1.46 -0.04 4.92 2.02 -1.24 -4.67 118.70 119.62 3fki s GLU 872 Ca 0.17 0.80 0.03 0.00 0.02 0.00 0.00 54.97 55.99 3fki s GLU 872 Cb -0.11 -1.83 0.01 0.00 0.10 0.00 0.00 34.13 32.30 3fki s GLU 872 CO 0.07 -2.10 -0.11 0.99 0.02 0.00 0.00 175.26 174.14 3fki s THR 873 N -2.97 0.97 -0.50 3.63 2.01 -0.61 -4.95 115.64 113.21 3fki s THR 873 Ca 0.63 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 3fki s THR 873 Cb -0.17 -0.88 0.10 0.00 0.01 0.00 0.00 72.50 71.57 3fki s THR 873 CO 0.56 0.30 0.43 -0.36 -0.69 0.00 0.00 174.62 174.87 3fki s PHE 874 N 0.39 3.27 0.01 4.92 0.40 -1.25 -1.24 117.98 124.48 3fki s PHE 874 Ca -0.08 -1.22 -0.00 0.00 -0.60 0.00 0.00 56.93 55.03 3fki s PHE 874 Cb -0.12 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 39.93 3fki s PHE 874 CO 0.02 -0.92 0.02 -0.85 0.70 0.00 0.00 175.22 174.18 3fki n GLU 875 N 5.18 0.02 -3.79 0.44 0.28 -0.80 -4.40 120.64 117.57 3fki n GLU 875 Ca -0.13 -0.08 -0.34 0.00 -0.16 0.00 0.00 57.16 56.46 3fki n GLU 875 Cb 0.42 0.08 -0.11 0.00 1.43 0.00 0.00 31.44 33.26 3fki n GLU 875 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3fki s LYS 876 N -2.02 2.52 0.08 3.44 2.20 -1.26 -4.20 119.74 120.50 3fki s LYS 876 Ca 0.01 -2.79 -0.15 0.00 -0.36 0.00 0.00 55.97 52.68 3fki s LYS 876 Cb -0.00 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3fki s LYS 876 CO 0.01 -1.19 0.50 -1.25 -0.36 0.00 0.00 175.35 173.06 3fki s PRO 877 N -0.53 3.99 -0.04 4.03 0.04 -1.26 -5.09 135.00 136.14 3fki s PRO 877 Ca 0.20 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 3fki s PRO 877 Cb -0.18 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.30 3fki s PRO 877 CO -0.06 0.58 0.04 -1.14 0.04 0.00 0.00 177.00 176.46 3fki s GLN 878 N -1.52 0.09 2.58 4.56 2.00 -1.26 -5.07 119.66 121.03 3fki s GLN 878 Ca 0.31 0.26 0.00 0.00 -2.00 0.00 0.00 55.36 53.94 3fki s GLN 878 Cb -0.16 -0.54 0.00 0.00 0.80 0.00 0.00 33.01 33.11 3fki s GLN 878 CO 0.17 -0.27 0.00 0.54 -0.50 0.00 0.00 175.29 175.23 3fki n ARG 879 N 4.92 0.00 -1.94 1.67 1.74 -1.26 -5.03 116.66 116.77 3fki n ARG 879 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3fki n ARG 879 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 3fki n ARG 879 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3fki n THR 880 N 0.00-10.73 0.00 0.55 -1.04 -1.26 -4.51 114.28 97.29 3fki n THR 880 Ca 0.00 2.46 0.00 0.00 -2.04 0.00 0.00 64.05 64.47 3fki n THR 880 Cb 0.00 -5.19 0.00 0.00 -1.82 0.00 0.00 70.33 63.32 3fki n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3fki n ASN 881 N 1.40 0.00 0.00 8.00 4.13 -1.26 -3.91 115.26 123.62 3fki n ASN 881 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 3fki n ASN 881 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 3fki n ASN 881 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3fki h THR 882 N 0.00 1.28 0.00 3.41 2.02 -1.82 -3.47 112.91 114.33 3fki h THR 882 Ca 0.00 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.85 3fki h THR 882 Cb 0.00 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3fki h THR 882 CO 0.00 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.39 3fki n LEU 883 N -4.84 0.00 -4.57 2.58 4.32 -1.26 -4.92 117.00 108.31 3fki n LEU 883 Ca -0.09 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.50 3fki n LEU 883 Cb 0.29 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.06 3fki n LEU 883 CO 0.31 0.00 1.63 -0.13 -1.22 0.00 0.00 177.39 177.98 3fki s ARG 884 N 0.00 2.89 0.00 3.23 0.52 -1.26 -4.88 118.95 119.44 3fki s ARG 884 Ca 0.00 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 3fki s ARG 884 Cb 0.00 -4.33 0.00 0.00 0.52 0.00 0.00 34.95 31.14 3fki s ARG 884 CO 0.00 -2.40 0.00 -1.33 0.02 0.00 0.00 175.30 171.59 3fki n MET 885 N 8.82 1.26 -4.03 3.54 2.81 -1.26 -3.57 117.12 124.69 3fki n MET 885 Ca 0.24 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.82 3fki n MET 885 Cb 0.50 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.95 3fki n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3fki s LYS 886 N 1.76 2.97 0.20 0.03 -0.14 -1.26 -5.01 119.74 118.28 3fki s LYS 886 Ca 0.00 -0.64 0.02 0.00 -1.36 0.00 0.00 55.97 53.99 3fki s LYS 886 Cb 0.00 -2.78 0.11 0.00 -1.68 0.00 0.00 37.83 33.48 3fki s LYS 886 CO 0.00 0.58 1.46 0.45 -0.76 0.00 0.00 175.35 177.08 3fki h HIS 887 N 3.32 0.36 -4.07 3.18 3.86 -2.00 -3.45 115.15 116.35 3fki h HIS 887 Ca -0.47 -0.17 -0.53 0.00 -1.16 0.00 0.00 60.37 58.05 3fki h HIS 887 Cb 1.16 -0.05 0.11 0.00 1.06 0.00 0.00 27.41 29.69 3fki h HIS 887 CO 0.61 0.90 0.51 0.20 0.86 0.00 0.00 177.93 181.02 3fki s GLY 888 N -4.39 2.80 0.22 2.45 0.00 -1.25 -4.95 107.32 102.20 3fki s GLY 888 Ca -0.04 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 3fki s GLY 888 CO 0.82 1.54 1.38 -0.51 0.00 0.00 0.00 173.10 176.33 3fki s THR 889 N -1.49 2.93 -0.76 0.90 -4.23 -1.26 -4.69 115.64 107.05 3fki s THR 889 Ca 0.74 0.77 0.05 0.00 -1.18 0.00 0.00 61.69 62.07 3fki s THR 889 Cb -0.33 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.29 3fki s THR 889 CO 0.38 0.12 0.93 -1.22 -0.54 0.00 0.00 174.62 174.28 3fki n TYR 890 N 2.52 0.71 0.03 3.99 4.02 -1.26 -3.96 117.16 123.21 3fki n TYR 890 Ca 0.07 -0.25 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 3fki n TYR 890 Cb 0.41 -0.24 0.04 0.00 -0.02 0.00 0.00 39.34 39.53 3fki n TYR 890 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3fki h ASP 891 N 1.36 0.56 0.21 7.72 3.32 -1.93 -3.15 116.42 124.52 3fki h ASP 891 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3fki h ASP 891 Cb 1.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3fki h ASP 891 CO 0.17 1.06 0.00 0.29 -1.72 0.00 0.00 179.24 179.04 3fki n LYS 892 N -3.89 0.44 -2.75 3.56 5.02 -1.26 -4.77 118.16 114.49 3fki n LYS 892 Ca -0.04 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 3fki n LYS 892 Cb 0.67 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 3fki n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fki s LEU 893 N -2.33 3.87 0.00 -0.35 1.43 -1.19 -4.53 118.68 115.58 3fki s LEU 893 Ca 0.24 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3fki s LEU 893 Cb 0.14 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.91 3fki s LEU 893 CO 0.27 -0.40 0.00 0.47 0.23 0.00 0.00 176.35 176.92 3fki n ASP 894 N -0.88 0.00 -0.05 2.29 8.00 -0.26 -4.94 116.55 120.71 3fki n ASP 894 Ca 0.06 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.41 3fki n ASP 894 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 3fki n ASP 894 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3fki h ASP 895 N 0.00 0.82 0.39 -2.24 5.19 -1.99 -3.24 116.42 115.35 3fki h ASP 895 Ca 0.00 -0.58 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 3fki h ASP 895 Cb 0.00 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.27 3fki h ASP 895 CO 0.00 1.26 0.00 -0.90 -3.12 0.00 0.00 179.24 176.48 3fki n ASP 896 N -4.11 0.00 -0.25 6.45 5.75 -1.26 -4.14 116.55 119.00 3fki n ASP 896 Ca -0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 3fki n ASP 896 Cb 0.62 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3fki n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fki n GLY 897 N 0.50 0.86 3.14 6.12 0.00 -1.22 -3.82 105.19 110.77 3fki n GLY 897 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 3fki n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fki s LEU 898 N -0.50 2.04 -0.19 0.99 1.43 -1.26 -1.51 118.68 119.68 3fki s LEU 898 Ca 0.00 -1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 51.97 3fki s LEU 898 Cb 0.00 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.54 3fki s LEU 898 CO 0.00 -0.68 0.09 -0.63 0.23 0.00 0.00 176.35 175.36 3fki s ILE 899 N -3.97 5.01 0.26 -0.59 1.01 -1.23 -1.10 121.20 120.61 3fki s ILE 899 Ca 0.14 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3fki s ILE 899 Cb 0.07 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 3fki s ILE 899 CO -0.05 0.45 1.26 0.00 0.00 0.00 0.00 174.94 176.60 3fki s ALA 900 N 0.43 3.49 0.39 9.38 0.00 -1.26 -4.90 121.76 129.29 3fki s ALA 900 Ca 0.05 1.12 0.25 0.00 0.00 0.00 0.00 51.96 53.37 3fki s ALA 900 Cb -0.12 -3.45 1.39 0.00 0.00 0.00 0.00 23.12 20.95 3fki s ALA 900 CO -0.00 -0.49 1.58 -1.35 0.00 0.00 0.00 175.76 175.50 3fki h PRO 901 N 4.31 0.01 -0.02 0.00 0.11 -1.88 -1.97 132.00 132.56 3fki h PRO 901 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3fki h PRO 901 Cb 1.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fki h PRO 901 CO 0.71 0.01 -0.09 0.78 -0.21 0.00 0.00 178.00 179.19 3fki h GLY 902 N 0.01 0.03 -3.65 -0.55 0.00 -1.91 -3.29 103.07 93.72 3fki h GLY 902 Ca 0.86 -0.02 -0.52 0.00 0.00 0.00 0.00 47.33 47.66 3fki h GLY 902 CO -0.66 0.01 0.57 0.14 0.00 0.00 0.00 176.54 176.60 3fki s VAL 903 N -4.84 2.96 -0.16 4.60 1.01 -0.74 -4.81 120.40 118.41 3fki s VAL 903 Ca -0.05 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 3fki s VAL 903 Cb 0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3fki s VAL 903 CO 0.69 0.18 0.48 -0.60 0.00 0.00 0.00 175.10 175.85 3fki s ARG 904 N -1.88 4.26 0.37 2.72 3.52 -1.26 -2.67 118.95 124.01 3fki s ARG 904 Ca 0.51 0.40 0.07 0.00 -0.13 0.00 0.00 55.73 56.58 3fki s ARG 904 Cb -0.36 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 3fki s ARG 904 CO 0.47 0.02 0.45 0.14 -0.81 0.00 0.00 175.30 175.56 3fki s VAL 905 N 1.09 3.46 0.00 7.11 -7.23 0.13 -4.98 120.40 119.98 3fki s VAL 905 Ca 0.24 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3fki s VAL 905 Cb -0.15 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.60 3fki s VAL 905 CO 0.10 -0.09 0.00 -1.54 -0.31 0.00 0.00 175.10 173.25 3fki n SER 906 N -1.63 0.00 0.00 4.85 3.41 -1.26 -2.78 113.62 116.21 3fki n SER 906 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3fki n SER 906 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3fki n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fki n GLY 907 N 1.91 0.83 1.97 5.00 0.00 -1.26 -4.05 105.19 109.60 3fki n GLY 907 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3fki n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fki n GLU 908 N 0.00 1.76 -2.79 1.61 1.02 -1.26 -4.53 120.64 116.46 3fki n GLU 908 Ca 0.00 -0.83 -0.36 0.00 -0.02 0.00 0.00 57.16 55.95 3fki n GLU 908 Cb 0.00 -1.86 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 3fki n GLU 908 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fki s ASP 909 N 2.06 7.23 0.17 1.62 1.01 -1.26 -3.88 116.67 123.61 3fki s ASP 909 Ca 0.55 1.80 -0.30 0.00 0.71 0.00 0.00 52.55 55.32 3fki s ASP 909 Cb 0.26 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.55 3fki s ASP 909 CO 0.00 -0.15 0.96 -0.69 0.21 0.00 0.00 175.17 175.50 3fki s VAL 910 N -1.76 4.29 -0.16 -1.27 1.01 -1.25 -0.80 120.40 120.44 3fki s VAL 910 Ca 0.53 2.05 -0.03 0.00 0.00 0.00 0.00 61.98 64.53 3fki s VAL 910 Cb -0.16 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 3fki s VAL 910 CO 0.21 0.39 -0.18 -0.38 0.00 0.00 0.00 175.10 175.14 3fki n ILE 911 N 2.23 0.92 -4.32 2.22 5.41 -1.05 -4.76 119.36 120.01 3fki n ILE 911 Ca 0.01 -0.30 -0.28 0.00 1.00 0.00 0.00 62.75 63.18 3fki n ILE 911 Cb 0.48 -1.35 -0.06 0.00 -0.71 0.00 0.00 39.64 37.99 3fki n ILE 911 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3fki s ILE 912 N -2.32 1.80 -0.57 1.39 -4.36 -1.24 -3.47 121.20 112.42 3fki s ILE 912 Ca -0.23 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 58.44 3fki s ILE 912 Cb 0.07 -2.58 0.20 0.00 1.25 0.00 0.00 42.46 41.41 3fki s ILE 912 CO 0.34 0.00 0.53 0.61 0.24 0.00 0.00 174.94 176.66 3fki n GLY 913 N -1.32 3.64 3.71 6.27 0.00 -0.57 -4.54 105.19 112.37 3fki n GLY 913 Ca -0.07 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 3fki n GLY 913 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fki s LYS 914 N -1.36 4.46 -0.07 1.61 2.20 -1.26 -1.90 119.74 123.42 3fki s LYS 914 Ca 0.32 1.09 0.01 0.00 -0.36 0.00 0.00 55.97 57.04 3fki s LYS 914 Cb 0.06 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3fki s LYS 914 CO -0.13 -0.03 -0.09 0.99 -0.36 0.00 0.00 175.35 175.73 3fki s THR 915 N 1.06 0.92 -0.23 3.43 2.01 -0.38 -3.28 115.64 119.18 3fki s THR 915 Ca 0.43 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 3fki s THR 915 Cb -0.19 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.45 3fki s THR 915 CO 0.21 0.32 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.49 3fki s THR 916 N 0.94 3.00 -0.33 -0.82 2.01 -1.05 -1.58 115.64 117.81 3fki s THR 916 Ca -0.10 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 3fki s THR 916 Cb -0.15 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 3fki s THR 916 CO 0.01 0.34 0.60 -2.16 -0.69 0.00 0.00 174.62 172.71 3fki s PRO 917 N 1.39 3.77 0.02 4.92 0.04 -1.26 -3.82 135.00 140.06 3fki s PRO 917 Ca 0.03 0.11 -0.20 0.00 0.04 0.00 0.00 61.00 60.98 3fki s PRO 917 Cb -0.15 -3.77 0.04 0.00 0.04 0.00 0.00 34.50 30.66 3fki s PRO 917 CO -0.05 -0.63 0.45 -1.50 0.04 0.00 0.00 177.00 175.31 3fki s ILE 918 N 2.57 0.04 -0.02 0.56 2.07 -1.26 -4.98 121.20 120.19 3fki s ILE 918 Ca 0.23 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 3fki s ILE 918 Cb -0.15 -0.90 0.03 0.00 0.13 0.00 0.00 42.46 41.57 3fki s ILE 918 CO 0.13 -0.19 0.02 -0.94 -1.91 0.00 0.00 174.94 172.05 3fki s SER 919 N -1.75 0.14 0.00 4.50 1.04 -1.26 -5.00 113.70 111.37 3fki s SER 919 Ca -0.08 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3fki s SER 919 Cb -0.01 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3fki s SER 919 CO 0.01 -0.11 0.00 -1.20 0.98 0.00 0.00 173.24 172.92 3fki n SER 933 N 4.07 0.00 -4.15 7.02 7.64 -1.26 -5.33 113.62 121.61 3fki n SER 933 Ca -0.26 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.18 3fki n SER 933 Cb 0.51 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 3fki n SER 933 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fki n LYS 934 N 0.00 4.00 -2.93 1.43 5.02 -1.25 -4.52 118.16 119.91 3fki n LYS 934 Ca 0.00 -4.40 -0.40 0.00 -2.02 0.00 0.00 58.31 51.49 3fki n LYS 934 Cb 0.00 -2.59 -0.06 0.00 -0.02 0.00 0.00 35.03 32.36 3fki n LYS 934 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3fki s ARG 935 N -1.73 4.62 -0.17 1.97 0.52 -1.25 -4.38 118.95 118.53 3fki s ARG 935 Ca 0.32 1.22 0.01 0.00 -0.52 0.00 0.00 55.73 56.77 3fki s ARG 935 Cb -0.01 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.19 3fki s ARG 935 CO 0.02 0.51 -0.20 0.34 0.02 0.00 0.00 175.30 176.00 3fki s ASP 936 N -0.98 3.19 -0.14 0.23 -1.08 -1.23 -2.53 116.67 114.13 3fki s ASP 936 Ca 0.37 -0.62 0.15 0.00 -0.52 0.00 0.00 52.55 51.93 3fki s ASP 936 Cb -0.23 -1.48 0.36 0.00 -1.46 0.00 0.00 42.92 40.10 3fki s ASP 936 CO 0.27 0.03 1.18 0.00 0.52 0.00 0.00 175.17 177.17 3fki n ALA 937 N 4.41 2.98 -1.98 3.66 0.00 -1.21 -4.83 120.51 123.55 3fki n ALA 937 Ca -0.20 -2.80 -0.42 0.00 0.00 0.00 0.00 53.44 50.01 3fki n ALA 937 Cb 0.51 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3fki n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fki s SER 938 N -2.76 6.64 -0.13 0.00 0.01 -1.25 -4.75 113.70 111.45 3fki s SER 938 Ca 0.33 2.53 -0.29 0.00 1.31 0.00 0.00 55.95 59.82 3fki s SER 938 Cb 0.32 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 3fki s SER 938 CO -0.06 -0.80 1.26 -0.89 0.41 0.00 0.00 173.24 173.16 3fki s THR 939 N 1.45 4.24 0.48 1.44 2.01 -1.26 -4.94 115.64 119.06 3fki s THR 939 Ca 0.70 1.52 -0.06 0.00 0.31 0.00 0.00 61.69 64.15 3fki s THR 939 Cb -0.41 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 3fki s THR 939 CO 0.31 -0.09 0.81 -2.16 -0.69 0.00 0.00 174.62 172.79 3fki s PRO 940 N 3.11 3.58 0.61 4.92 0.05 -1.26 -2.53 135.00 143.48 3fki s PRO 940 Ca 0.56 0.29 -0.19 0.00 0.05 0.00 0.00 61.00 61.71 3fki s PRO 940 Cb -0.23 -2.35 -0.03 0.00 0.05 0.00 0.00 34.50 31.94 3fki s PRO 940 CO 0.17 -0.21 1.24 -1.17 0.05 0.00 0.00 177.00 177.08 3fki s LEU 941 N -4.65 3.65 -0.11 -3.56 2.96 0.02 -4.89 118.68 112.09 3fki s LEU 941 Ca 0.49 2.47 -0.40 0.00 -0.22 0.00 0.00 54.13 56.47 3fki s LEU 941 Cb -0.10 -4.59 -0.18 0.00 0.50 0.00 0.00 46.19 41.82 3fki s LEU 941 CO 0.44 -1.71 1.42 0.54 -1.32 0.00 0.00 176.35 175.72 3fki n ARG 942 N -1.66 0.74 -0.34 1.98 5.12 -1.26 -4.63 116.66 116.61 3fki n ARG 942 Ca 0.14 0.27 0.15 0.00 -1.93 0.00 0.00 57.85 56.48 3fki n ARG 942 Cb 0.49 -1.87 0.35 0.00 -1.16 0.00 0.00 32.46 30.27 3fki n ARG 942 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3fki h SER 943 N 4.97 0.68 0.80 0.55 4.64 -1.87 -1.17 113.55 122.15 3fki h SER 943 Ca -0.48 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3fki h SER 943 Cb 1.36 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3fki h SER 943 CO 0.83 0.16 -0.99 0.35 -0.87 0.00 0.00 176.83 176.31 3fki n THR 944 N -4.85 0.44 -2.07 2.95 -2.24 -1.26 -4.55 114.28 102.69 3fki n THR 944 Ca 0.25 -0.43 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 3fki n THR 944 Cb 0.66 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3fki n THR 944 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3fki s GLU 945 N -3.30 3.62 0.31 -0.78 2.56 -0.44 -5.06 118.70 115.59 3fki s GLU 945 Ca 0.01 0.65 -0.07 0.00 0.00 0.00 0.00 54.97 55.57 3fki s GLU 945 Cb 0.11 -2.15 0.03 0.00 2.00 0.00 0.00 34.13 34.13 3fki s GLU 945 CO 0.78 -0.47 0.52 0.27 -0.56 0.00 0.00 175.26 175.81 3fki n ASN 946 N -2.55 -1.50 0.00 -1.70 6.94 -1.26 -4.44 115.26 110.75 3fki n ASN 946 Ca 0.05 -2.44 0.00 0.00 -0.02 0.00 0.00 54.58 52.17 3fki n ASN 946 Cb 0.54 2.61 0.00 0.00 -2.36 0.00 0.00 39.78 40.58 3fki n ASN 946 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fki n GLY 947 N -0.46 0.27 3.21 4.83 0.00 -1.12 -4.67 105.19 107.25 3fki n GLY 947 Ca -0.03 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 3fki n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fki s ILE 948 N -2.05 1.42 0.69 -0.61 1.09 -0.60 0.20 121.20 121.34 3fki s ILE 948 Ca 0.00 -1.22 -0.13 0.00 -1.10 0.00 0.00 60.65 58.20 3fki s ILE 948 Cb 0.00 -1.28 0.01 0.00 -1.06 0.00 0.00 42.46 40.14 3fki s ILE 948 CO 0.00 0.03 1.09 -0.69 -0.10 0.00 0.00 174.94 175.27 3fki s VAL 949 N -0.96 3.42 0.00 2.92 1.01 -1.09 0.79 120.40 126.49 3fki s VAL 949 Ca 0.04 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.60 3fki s VAL 949 Cb -0.09 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3fki s VAL 949 CO 0.02 -0.48 0.00 -0.67 0.00 0.00 0.00 175.10 173.97 3fki n ASP 950 N -2.76 0.10 -3.71 3.32 -0.08 0.13 -4.57 116.55 108.97 3fki n ASP 950 Ca 0.09 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.26 3fki n ASP 950 Cb 0.53 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 3fki n ASP 950 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 3fki s GLN 951 N -1.99 0.35 -0.11 -0.67 0.74 -1.21 -4.81 119.66 111.97 3fki s GLN 951 Ca 0.00 0.66 0.01 0.00 0.05 0.00 0.00 55.36 56.09 3fki s GLN 951 Cb 0.00 -0.00 0.02 0.00 1.10 0.00 0.00 33.01 34.13 3fki s GLN 951 CO 0.00 -0.14 -0.13 0.08 -0.55 0.00 0.00 175.29 174.55 3fki s VAL 952 N 1.11 1.38 -0.07 1.34 1.01 -1.26 -0.30 120.40 123.61 3fki s VAL 952 Ca -0.07 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3fki s VAL 952 Cb -0.08 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.03 3fki s VAL 952 CO -0.09 0.42 -0.15 -1.48 0.00 0.00 0.00 175.10 173.80 3fki s LEU 953 N 1.14 1.76 -0.28 3.92 2.34 -0.39 -5.01 118.68 122.15 3fki s LEU 953 Ca -0.04 -0.35 -0.06 0.00 0.06 0.00 0.00 54.13 53.74 3fki s LEU 953 Cb -0.14 -0.94 0.01 0.00 -0.56 0.00 0.00 46.19 44.55 3fki s LEU 953 CO -0.03 0.07 0.06 -0.69 -1.06 0.00 0.00 176.35 174.70 3fki s VAL 954 N 0.52 3.86 0.09 1.48 1.01 -1.26 -1.49 120.40 124.61 3fki s VAL 954 Ca -0.14 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.21 3fki s VAL 954 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3fki s VAL 954 CO 0.04 0.12 -0.14 -0.89 0.00 0.00 0.00 175.10 174.23 3fki s THR 955 N 1.49 1.24 0.13 3.92 2.01 0.53 -4.97 115.64 119.99 3fki s THR 955 Ca 0.03 -1.50 -0.30 0.00 0.31 0.00 0.00 61.69 60.23 3fki s THR 955 Cb -0.17 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 70.98 3fki s THR 955 CO 0.02 -0.30 1.04 -0.89 -0.69 0.00 0.00 174.62 173.79 3fki s THR 956 N -1.65 4.23 0.57 -0.82 2.01 -1.26 -1.79 115.64 116.92 3fki s THR 956 Ca 0.03 1.84 -0.08 0.00 0.31 0.00 0.00 61.69 63.79 3fki s THR 956 Cb -0.08 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 3fki s THR 956 CO 0.03 0.28 0.92 0.21 -0.69 0.00 0.00 174.62 175.37 3fki s ASN 957 N 0.08 6.17 0.28 3.53 2.47 -0.71 -4.91 114.94 121.86 3fki s ASN 957 Ca 0.49 1.16 0.21 0.00 0.42 0.00 0.00 52.86 55.15 3fki s ASN 957 Cb -0.26 -2.31 1.05 0.00 -1.45 0.00 0.00 41.25 38.28 3fki s ASN 957 CO 0.32 -0.78 1.65 0.00 -3.72 0.00 0.00 177.10 174.57 3fki n GLN 958 N -2.55 0.15 0.00 0.43 10.64 -1.26 -0.36 117.38 124.43 3fki n GLN 958 Ca 0.04 0.55 0.12 0.00 -1.83 0.00 0.00 57.00 55.88 3fki n GLN 958 Cb 0.55 -1.91 0.28 0.00 -0.86 0.00 0.00 30.24 28.30 3fki n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3fki n ASP 959 N -2.21 1.34 -0.42 2.61 8.00 -1.26 -3.72 116.55 120.88 3fki n ASP 959 Ca -0.00 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3fki n ASP 959 Cb 0.10 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3fki n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fki n GLY 960 N 1.35 0.92 3.69 0.44 0.00 0.51 -4.95 105.19 107.16 3fki n GLY 960 Ca 0.12 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3fki n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fki s LEU 961 N -0.85 3.56 -0.43 0.99 1.43 -1.25 -4.84 118.68 117.29 3fki s LEU 961 Ca 0.00 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.85 3fki s LEU 961 Cb 0.00 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3fki s LEU 961 CO 0.00 0.29 1.64 -0.54 0.23 0.00 0.00 176.35 177.97 3fki s LYS 962 N -1.50 3.30 -0.09 1.70 1.02 -1.26 -1.74 119.74 121.17 3fki s LYS 962 Ca 0.19 1.02 0.04 0.00 0.02 0.00 0.00 55.97 57.24 3fki s LYS 962 Cb -0.12 -4.16 -0.01 0.00 -0.52 0.00 0.00 37.83 33.02 3fki s LYS 962 CO 0.10 -1.91 -0.21 0.12 -0.92 0.00 0.00 175.35 172.53 3fki s PHE 963 N 6.66 2.59 0.10 3.18 5.36 -0.74 -2.32 117.98 132.81 3fki s PHE 963 Ca 0.68 -0.80 0.10 0.00 -0.96 0.00 0.00 56.93 55.95 3fki s PHE 963 Cb -0.17 -1.70 -0.04 0.00 -0.34 0.00 0.00 43.02 40.77 3fki s PHE 963 CO 0.30 -0.27 -0.25 0.14 -1.46 0.00 0.00 175.22 173.68 3fki s VAL 964 N 0.12 2.05 -0.04 3.12 -7.23 -0.63 -0.34 120.40 117.45 3fki s VAL 964 Ca -0.11 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 3fki s VAL 964 Cb -0.16 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 34.99 3fki s VAL 964 CO 0.06 0.10 0.03 -0.54 -0.31 0.00 0.00 175.10 174.44 3fki s LYS 965 N -1.84 0.13 -0.09 4.82 1.02 -0.55 -2.40 119.74 120.83 3fki s LYS 965 Ca 0.11 0.25 0.04 0.00 0.02 0.00 0.00 55.97 56.39 3fki s LYS 965 Cb -0.10 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.64 3fki s LYS 965 CO 0.05 -0.27 -0.22 0.08 -0.92 0.00 0.00 175.35 174.07 3fki s VAL 966 N 1.80 2.30 -0.15 3.17 1.01 -1.05 -1.26 120.40 126.21 3fki s VAL 966 Ca 0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3fki s VAL 966 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3fki s VAL 966 CO -0.03 0.56 -0.06 -0.60 0.00 0.00 0.00 175.10 174.97 3fki s ARG 967 N 0.13 3.60 -0.13 2.72 3.52 0.59 -1.77 118.95 127.62 3fki s ARG 967 Ca -0.11 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 3fki s ARG 967 Cb -0.16 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 3fki s ARG 967 CO 0.06 0.25 -0.14 0.08 -0.81 0.00 0.00 175.30 174.75 3fki s VAL 968 N 0.33 3.01 -0.08 7.11 1.01 0.84 0.18 120.40 132.81 3fki s VAL 968 Ca -0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3fki s VAL 968 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3fki s VAL 968 CO 0.03 0.53 -0.16 -0.60 0.00 0.00 0.00 175.10 174.91 3fki s ARG 969 N 0.31 2.83 -0.03 2.72 3.00 0.24 -1.60 118.95 126.42 3fki s ARG 969 Ca -0.11 -0.73 -0.02 0.00 -1.00 0.00 0.00 55.73 53.87 3fki s ARG 969 Cb -0.16 -2.43 0.01 0.00 0.00 0.00 0.00 34.95 32.37 3fki s ARG 969 CO 0.06 0.43 0.07 0.99 0.00 0.00 0.00 175.30 176.85 3fki s THR 970 N -0.24 -0.00 -0.16 4.11 2.01 -0.26 -1.56 115.64 119.54 3fki s THR 970 Ca 0.01 0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 3fki s THR 970 Cb -0.13 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 3fki s THR 970 CO 0.03 0.00 0.36 -0.89 -0.69 0.00 0.00 174.62 173.43 3fki s THR 971 N 0.10 5.26 -0.46 -0.82 2.01 -1.26 0.09 115.64 120.55 3fki s THR 971 Ca -0.00 0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.69 3fki s THR 971 Cb -0.01 -3.70 0.12 0.00 0.01 0.00 0.00 72.50 68.92 3fki s THR 971 CO -0.00 0.34 0.22 -0.54 -0.69 0.00 0.00 174.62 173.95 3fki s LYS 972 N 0.68 1.96 0.13 4.92 1.02 -0.87 -4.99 119.74 122.58 3fki s LYS 972 Ca 0.19 -2.19 -0.31 0.00 0.02 0.00 0.00 55.97 53.69 3fki s LYS 972 Cb -0.14 -3.44 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 3fki s LYS 972 CO 0.06 -1.06 1.28 0.42 -0.92 0.00 0.00 175.35 175.13 3fki s ILE 973 N 0.45 3.54 -0.16 2.17 1.01 -1.26 -3.59 121.20 123.36 3fki s ILE 973 Ca 0.13 1.17 -0.36 0.00 0.00 0.00 0.00 60.65 61.59 3fki s ILE 973 Cb -0.22 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 3fki s ILE 973 CO -0.04 0.13 1.88 -0.81 0.00 0.00 0.00 174.94 176.10 3fki n PRO 974 N 3.40 1.83 0.00 2.79 -0.04 -1.26 -4.94 135.00 136.77 3fki n PRO 974 Ca 0.08 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 3fki n PRO 974 Cb 0.44 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 3fki n PRO 974 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3fki n GLN 975 N 6.52 2.15 -3.51 0.54 7.27 -1.26 -5.02 117.38 124.06 3fki n GLN 975 Ca 0.25 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 57.06 3fki n GLN 975 Cb 0.25 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.81 3fki n GLN 975 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3fki n ILE 976 N 0.00 0.71 0.00 1.69 5.41 -1.26 -4.74 119.36 121.18 3fki n ILE 976 Ca 0.00 -4.46 0.00 0.00 1.00 0.00 0.00 62.75 59.29 3fki n ILE 976 Cb 0.00 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 36.93 3fki n ILE 976 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fki n GLY 977 N 1.75 0.00 3.77 7.39 0.00 -1.25 -4.86 105.19 111.99 3fki n GLY 977 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3fki n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fki s ASP 978 N 0.00 6.64 0.30 1.61 1.11 -1.26 -4.18 116.67 120.88 3fki s ASP 978 Ca 0.00 2.78 -0.28 0.00 0.18 0.00 0.00 52.55 55.22 3fki s ASP 978 Cb 0.00 -2.65 -0.09 0.00 1.07 0.00 0.00 42.92 41.25 3fki s ASP 978 CO 0.00 -0.66 1.03 -0.75 1.18 0.00 0.00 175.17 175.97 3fki s LYS 979 N -1.53 4.60 -0.01 8.23 2.20 -1.26 -2.86 119.74 129.11 3fki s LYS 979 Ca 0.52 1.60 -0.00 0.00 -0.36 0.00 0.00 55.97 57.73 3fki s LYS 979 Cb -0.42 -3.03 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3fki s LYS 979 CO 0.53 0.23 0.02 -0.06 -0.36 0.00 0.00 175.35 175.72 3fki s PHE 980 N -1.33 -0.00 0.03 4.03 0.40 0.29 -4.18 117.98 117.21 3fki s PHE 980 Ca 0.47 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.86 3fki s PHE 980 Cb -0.27 -0.06 -0.02 0.00 0.51 0.00 0.00 43.02 43.18 3fki s PHE 980 CO 0.34 -0.03 -0.01 0.00 0.70 0.00 0.00 175.22 176.21 3fki s ALA 981 N 0.33 0.15 0.00 5.36 0.00 -1.22 -0.64 121.76 125.74 3fki s ALA 981 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3fki s ALA 981 Cb -0.04 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3fki s ALA 981 CO -0.01 -0.22 0.00 -1.13 0.00 0.00 0.00 175.76 174.40 3fki n SER 982 N 1.24 0.00 -0.31 0.00 3.41 -1.25 -1.59 113.62 115.12 3fki n SER 982 Ca -0.22 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.42 3fki n SER 982 Cb 0.56 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 3fki n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fki n ARG 983 N 0.00 0.51 -0.40 4.33 1.74 -1.26 -4.36 116.66 117.22 3fki n ARG 983 Ca 0.00 -1.46 0.02 0.00 -0.77 0.00 0.00 57.85 55.64 3fki n ARG 983 Cb 0.00 -0.82 0.03 0.00 -1.02 0.00 0.00 32.46 30.64 3fki n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3fki n HIS 984 N -0.46 0.00 -1.83 -1.55 8.25 -1.26 -4.76 115.22 113.61 3fki n HIS 984 Ca 0.05 -0.21 -0.06 0.00 -0.26 0.00 0.00 57.72 57.24 3fki n HIS 984 Cb 0.65 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 3fki n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fki n GLY 985 N -0.29 0.34 2.51 -1.41 0.00 -1.25 -4.74 105.19 100.35 3fki n GLY 985 Ca 0.03 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3fki n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3fki n GLN 986 N -1.98 3.73 -1.54 1.61 -0.06 -1.26 -4.98 117.38 112.90 3fki n GLN 986 Ca -0.07 -3.12 -0.31 0.00 -2.00 0.00 0.00 57.00 51.50 3fki n GLN 986 Cb 0.45 -2.41 0.06 0.00 -4.06 0.00 0.00 30.24 24.28 3fki n GLN 986 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3fki s LYS 987 N -1.73 2.70 0.00 3.69 -2.85 -1.26 -3.79 119.74 116.50 3fki s LYS 987 Ca 0.55 1.13 0.00 0.00 -1.00 0.00 0.00 55.97 56.65 3fki s LYS 987 Cb 0.27 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 3fki s LYS 987 CO -0.16 -1.30 0.00 0.41 0.10 0.00 0.00 175.35 174.40 3fki n GLY 988 N -1.35 1.30 3.86 0.59 0.00 0.19 -4.81 105.19 104.96 3fki n GLY 988 Ca 0.09 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 3fki n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fki s THR 989 N -2.00 4.34 -0.02 2.61 -4.23 -1.24 0.10 115.64 115.21 3fki s THR 989 Ca 0.00 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 3fki s THR 989 Cb 0.00 -3.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.37 3fki s THR 989 CO 0.00 -0.30 1.41 -0.63 -0.54 0.00 0.00 174.62 174.56 3fki s ILE 990 N -2.15 3.75 -0.07 2.99 1.01 -1.14 -0.32 121.20 125.28 3fki s ILE 990 Ca 0.35 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 3fki s ILE 990 Cb -0.08 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 3fki s ILE 990 CO 0.26 -0.02 0.08 1.23 0.00 0.00 0.00 174.94 176.50 3fki h GLY 991 N 8.61 -0.06 -4.71 6.18 0.00 -0.96 -3.30 103.07 108.83 3fki h GLY 991 Ca -0.37 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3fki h GLY 991 CO 0.91 -0.02 -0.04 -1.50 0.00 0.00 0.00 176.54 175.89 3fki s ILE 992 N -1.65 0.01 -0.13 2.60 1.10 -1.26 -4.95 121.20 116.92 3fki s ILE 992 Ca -0.01 -0.10 -0.25 0.00 -0.51 0.00 0.00 60.65 59.79 3fki s ILE 992 Cb 0.00 -0.80 -0.02 0.00 0.15 0.00 0.00 42.46 41.79 3fki s ILE 992 CO 0.03 -0.05 0.78 0.42 -2.11 0.00 0.00 174.94 174.01 3fki s THR 993 N -0.42 4.94 0.04 4.00 -4.23 -1.26 -2.82 115.64 115.88 3fki s THR 993 Ca -0.06 1.57 0.09 0.00 -1.18 0.00 0.00 61.69 62.11 3fki s THR 993 Cb -0.03 -4.10 -0.03 0.00 1.34 0.00 0.00 72.50 69.68 3fki s THR 993 CO 0.04 0.11 -0.25 -0.31 -0.54 0.00 0.00 174.62 173.68 3fki s TYR 994 N 1.62 2.37 0.72 3.99 4.12 -1.06 -4.80 117.35 124.31 3fki s TYR 994 Ca 0.38 -0.38 -0.11 0.00 0.02 0.00 0.00 57.07 56.97 3fki s TYR 994 Cb -0.17 -1.42 0.02 0.00 -1.52 0.00 0.00 41.96 38.87 3fki s TYR 994 CO 0.15 0.13 1.10 1.03 0.02 0.00 0.00 175.55 177.99 3fki s ARG 995 N -1.20 2.74 0.45 -0.62 0.52 -1.26 0.57 118.95 120.14 3fki s ARG 995 Ca 0.12 0.45 0.19 0.00 -0.52 0.00 0.00 55.73 55.97 3fki s ARG 995 Cb -0.10 -2.01 1.14 0.00 0.52 0.00 0.00 34.95 34.50 3fki s ARG 995 CO 0.02 -1.12 1.92 0.00 0.02 0.00 0.00 175.30 176.14 3fki h ARG 996 N -0.72 0.31 -0.28 3.54 3.08 -1.97 -1.28 114.38 117.06 3fki h ARG 996 Ca -0.45 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 3fki h ARG 996 Cb 1.26 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3fki h ARG 996 CO 0.64 0.21 -0.14 0.93 -1.07 0.00 0.00 179.97 180.53 3fki h GLU 997 N 0.32 0.59 0.00 0.04 3.07 -1.93 -2.98 114.58 113.70 3fki h GLU 997 Ca 0.37 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3fki h GLU 997 Cb 0.98 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 3fki h GLU 997 CO -0.10 0.83 0.00 -0.44 -1.40 0.00 0.00 179.01 177.90 3fki h ASP 998 N 0.34 0.00 -3.95 1.42 3.32 -1.63 -3.38 116.42 112.54 3fki h ASP 998 Ca 0.06 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.65 3fki h ASP 998 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3fki h ASP 998 CO 0.04 0.00 0.36 -0.32 -1.72 0.00 0.00 179.24 177.61 3fki s MET 999 N -3.14 4.38 0.65 3.56 1.75 -0.55 -4.49 119.30 121.46 3fki s MET 999 Ca 0.10 1.34 -0.16 0.00 -1.25 0.00 0.00 55.69 55.71 3fki s MET 999 Cb 0.12 -2.59 -0.01 0.00 2.84 0.00 0.00 34.83 35.19 3fki s MET 999 CO 0.58 0.09 1.16 -1.25 -0.65 0.00 0.00 175.02 174.94 3fki s PRO 1000N -2.43 2.74 -0.07 4.11 0.04 -1.26 -4.01 135.00 134.12 3fki s PRO 1000Ca 0.55 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 3fki s PRO 1000Cb -0.18 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3fki s PRO 1000CO 0.23 -1.34 0.30 -0.59 0.04 0.00 0.00 177.00 175.64 3fki s PHE 1001N -2.01 -0.25 0.79 0.56 -0.12 -1.01 -4.32 117.98 111.61 3fki s PHE 1001Ca 0.72 0.55 -0.07 0.00 -0.05 0.00 0.00 56.93 58.07 3fki s PHE 1001Cb -0.25 0.10 0.17 0.00 -0.63 0.00 0.00 43.02 42.40 3fki s PHE 1001CO 0.39 -0.26 1.07 0.25 -0.05 0.00 0.00 175.22 176.62 3fki n THR 1002N 2.19 0.00 0.20 -4.49 -2.24 -1.11 0.30 114.28 109.13 3fki n THR 1002Ca -0.17 -1.21 0.08 0.00 -2.27 0.00 0.00 64.05 60.48 3fki n THR 1002Cb 0.57 -1.22 0.38 0.00 -2.10 0.00 0.00 70.33 67.97 3fki n THR 1002CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fki h ALA 1003N -1.17 0.99 0.00 6.98 0.00 -1.90 -3.11 119.26 121.05 3fki h ALA 1003Ca -0.35 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3fki h ALA 1003Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3fki h ALA 1003CO 0.31 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.31 3fki n GLU 1004N -3.43 0.11 0.00 0.00 -0.58 -1.26 -4.87 120.64 110.61 3fki n GLU 1004Ca 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3fki n GLU 1004Cb 0.48 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3fki n GLU 1004CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fki n GLY 1005N 0.78 1.45 3.77 0.62 0.00 -1.18 -5.05 105.19 105.59 3fki n GLY 1005Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3fki n GLY 1005CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fki s ILE 1006N -2.32 2.84 -0.03 -0.61 -4.36 -1.26 -4.86 121.20 110.60 3fki s ILE 1006Ca 0.00 0.78 0.00 0.00 -0.26 0.00 0.00 60.65 61.17 3fki s ILE 1006Cb 0.00 -3.47 0.03 0.00 1.25 0.00 0.00 42.46 40.27 3fki s ILE 1006CO 0.00 0.14 0.00 0.54 0.24 0.00 0.00 174.94 175.86 3fki s VAL 1007N -1.25 0.17 0.67 8.37 0.11 -1.26 -2.76 120.40 124.46 3fki s VAL 1007Ca 0.53 0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 59.52 3fki s VAL 1007Cb -0.36 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.21 3fki s VAL 1007CO 0.47 0.15 1.21 -2.16 -3.33 0.00 0.00 175.10 171.45 3fki s PRO 1008N 1.10 2.49 -0.09 1.54 0.04 -1.26 -4.96 135.00 133.86 3fki s PRO 1008Ca -0.09 1.80 0.17 0.00 0.04 0.00 0.00 61.00 62.92 3fki s PRO 1008Cb -0.13 -1.87 -0.23 0.00 0.04 0.00 0.00 34.50 32.30 3fki s PRO 1008CO -0.02 -1.58 0.41 -0.25 0.04 0.00 0.00 177.00 175.61 3fki n ASP 1009N -2.24 0.40 -3.76 6.66 8.00 0.11 -4.56 116.55 121.16 3fki n ASP 1009Ca 0.14 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.68 3fki n ASP 1009Cb 0.50 0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 42.09 3fki n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fki s LEU 1010N -5.62 0.86 -0.23 0.64 2.96 -0.98 -0.26 118.68 116.04 3fki s LEU 1010Ca -0.07 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3fki s LEU 1010Cb 0.08 0.21 0.02 0.00 0.50 0.00 0.00 46.19 47.00 3fki s LEU 1010CO 0.83 -0.14 -0.09 -0.63 -1.32 0.00 0.00 176.35 175.00 3fki s ILE 1011N 1.12 2.74 0.25 6.68 1.01 0.44 -0.96 121.20 132.47 3fki s ILE 1011Ca -0.09 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.66 3fki s ILE 1011Cb -0.12 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3fki s ILE 1011CO -0.05 0.27 0.10 0.27 0.00 0.00 0.00 174.94 175.54 3fki s ILE 1012N 1.32 4.01 -0.03 2.92 -4.36 -1.17 -2.10 121.20 121.80 3fki s ILE 1012Ca 0.01 -1.58 -0.23 0.00 -0.26 0.00 0.00 60.65 58.60 3fki s ILE 1012Cb -0.16 -3.14 -0.05 0.00 1.25 0.00 0.00 42.46 40.36 3fki s ILE 1012CO -0.06 -0.32 0.67 0.21 0.24 0.00 0.00 174.94 175.68 3fki s ASN 1013N -3.66 7.01 0.64 4.36 3.84 -1.25 -1.48 114.94 124.40 3fki s ASN 1013Ca 0.32 1.21 0.26 0.00 0.21 0.00 0.00 52.86 54.86 3fki s ASN 1013Cb -0.08 -2.40 1.38 0.00 -0.55 0.00 0.00 41.25 39.60 3fki s ASN 1013CO 0.22 -0.02 1.79 -0.65 -2.79 0.00 0.00 177.10 175.65 3fki h PRO 1014N 6.23 0.00 0.00 0.43 0.11 -1.86 -1.66 132.00 135.25 3fki h PRO 1014Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3fki h PRO 1014Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fki h PRO 1014CO 0.73 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.97 3fki h HIS 1015N 0.00 0.00 -0.54 0.65 3.86 -1.97 -3.26 115.15 113.89 3fki h HIS 1015Ca 0.09 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.93 3fki h HIS 1015Cb 1.06 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.37 3fki h HIS 1015CO 0.00 0.00 0.47 0.00 0.86 0.00 0.00 177.93 179.26 3fki n ALA 1016N -1.88 5.23 0.01 2.45 0.00 -0.62 -4.29 120.51 121.40 3fki n ALA 1016Ca 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.61 3fki n ALA 1016Cb 0.36 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3fki n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fki n ILE 1017N 0.17 0.06 -0.02 0.00 2.08 -1.23 -4.81 119.36 115.62 3fki n ILE 1017Ca 0.34 0.02 -0.13 0.00 0.56 0.00 0.00 62.75 63.54 3fki n ILE 1017Cb 0.61 -0.91 -0.10 0.00 -0.75 0.00 0.00 39.64 38.49 3fki n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3fki h PRO 1018N 0.00 -0.00 0.00 0.38 0.11 -1.78 -0.35 132.00 130.35 3fki h PRO 1018Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3fki h PRO 1018Cb 0.36 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3fki h PRO 1018CO 0.00 0.53 -0.57 0.66 -0.21 0.00 0.00 178.00 178.41 3fki h SER 1019N -0.53 0.00 0.74 -2.05 4.64 -1.94 -2.86 113.55 111.54 3fki h SER 1019Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3fki h SER 1019Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3fki h SER 1019CO 0.00 0.57 -0.40 0.03 -0.87 0.00 0.00 176.83 176.16 3fki h ARG 1020N 0.00 0.00 -6.27 4.77 2.47 -1.86 -3.48 114.38 110.02 3fki h ARG 1020Ca -0.01 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 58.27 3fki h ARG 1020Cb 1.14 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 29.51 3fki h ARG 1020CO 0.07 0.40 -0.91 -1.33 0.56 0.00 0.00 179.97 178.76 3fki n MET 1021N -3.63 -2.17 -3.31 0.04 2.81 -0.15 -4.56 117.12 106.15 3fki n MET 1021Ca -0.01 0.47 -0.31 0.00 -1.81 0.00 0.00 57.70 56.04 3fki n MET 1021Cb 0.50 -4.36 -0.06 0.00 -0.71 0.00 0.00 33.22 28.59 3fki n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3fki n THR 1022N -4.24 3.09 0.19 2.03 5.66 -1.21 -2.92 114.28 116.89 3fki n THR 1022Ca -0.17 -5.41 0.03 0.00 -3.05 0.00 0.00 64.05 55.45 3fki n THR 1022Cb 0.63 -2.07 0.39 0.00 -1.55 0.00 0.00 70.33 67.72 3fki n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3fki h VAL 1023N 3.21 1.22 -0.83 1.08 2.07 -1.89 -2.99 116.25 118.12 3fki h VAL 1023Ca 0.20 -1.18 0.10 0.00 0.82 0.00 0.00 66.70 66.64 3fki h VAL 1023Cb 0.64 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 3fki h VAL 1023CO 0.95 0.34 0.54 0.00 0.02 0.00 0.00 177.57 179.42 3fki h ALA 1024N 1.66 1.73 -0.43 1.67 0.00 -1.83 0.62 119.26 122.68 3fki h ALA 1024Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3fki h ALA 1024Cb 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3fki h ALA 1024CO 0.04 0.09 0.12 1.25 0.00 0.00 0.00 179.25 180.75 3fki h HIS 1025N 0.77 0.71 -0.23 0.00 6.17 -1.85 -2.33 115.15 118.39 3fki h HIS 1025Ca 0.39 -0.08 -0.08 0.00 0.71 0.00 0.00 60.37 61.31 3fki h HIS 1025Cb 0.46 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 3fki h HIS 1025CO -0.00 0.65 -0.21 -0.07 0.71 0.00 0.00 177.93 179.01 3fki h LEU 1026N 0.55 0.41 -0.18 0.26 3.38 -1.26 -3.08 115.31 115.39 3fki h LEU 1026Ca 0.14 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3fki h LEU 1026Cb 0.29 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3fki h LEU 1026CO -0.00 0.63 -0.32 0.40 0.09 0.00 0.00 178.44 179.24 3fki h ILE 1027N 0.37 1.34 -0.65 1.22 2.04 -0.84 -3.07 117.51 117.92 3fki h ILE 1027Ca 0.06 -1.54 0.09 0.00 1.00 0.00 0.00 64.86 64.47 3fki h ILE 1027Cb 0.58 1.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 3fki h ILE 1027CO 0.04 0.47 0.29 -0.08 0.00 0.00 0.00 178.15 178.87 3fki h GLU 1028N 0.20 0.50 -0.76 2.37 4.81 -1.37 -0.69 114.58 119.63 3fki h GLU 1028Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3fki h GLU 1028Cb 0.90 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 3fki h GLU 1028CO 0.07 0.33 0.48 0.00 -0.73 0.00 0.00 179.01 179.16 3fki h LEU 1030N 1.04 0.91 -0.33 0.00 5.85 -1.31 -2.17 115.31 119.30 3fki h LEU 1030Ca 0.28 -0.44 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 3fki h LEU 1030Cb -0.07 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 3fki h LEU 1030CO -0.06 1.15 -0.38 0.25 -0.34 0.00 0.00 178.44 179.06 3fki h LEU 1031N 0.67 0.90 -1.63 2.25 5.85 -0.93 -2.97 115.31 119.45 3fki h LEU 1031Ca 0.07 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 3fki h LEU 1031Cb 0.86 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3fki h LEU 1031CO 0.07 1.21 -0.21 0.28 -0.34 0.00 0.00 178.44 179.46 3fki h SER 1032N 0.62 0.00 -0.32 1.25 0.02 -0.59 0.12 113.55 114.66 3fki h SER 1032Ca 0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3fki h SER 1032Cb 0.98 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3fki h SER 1032CO 0.09 0.21 -0.08 0.50 -1.14 0.00 0.00 176.83 176.41 3fki h LYS 1033N 0.00 0.61 -0.38 3.45 3.64 -1.29 0.10 116.57 122.70 3fki h LYS 1033Ca -0.00 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3fki h LYS 1033Cb 0.41 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3fki h LYS 1033CO 0.03 0.79 0.13 0.28 -2.27 0.00 0.00 179.45 178.41 3fki h VAL 1034N 0.39 1.20 -0.17 2.00 2.07 -1.27 -2.57 116.25 117.90 3fki h VAL 1034Ca 0.08 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3fki h VAL 1034Cb 0.57 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3fki h VAL 1034CO 0.03 0.23 0.09 0.00 0.02 0.00 0.00 177.57 177.94 3fki h ALA 1035N 0.97 1.84 -0.08 1.67 0.00 -0.64 -1.24 119.26 121.78 3fki h ALA 1035Ca 0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3fki h ALA 1035Cb 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fki h ALA 1035CO -0.01 0.14 -0.44 0.00 0.00 0.00 0.00 179.25 178.94 3fki h ALA 1036N 1.87 0.17 -0.00 0.00 0.00 -0.57 -1.22 119.26 119.50 3fki h ALA 1036Ca 0.06 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 3fki h ALA 1036Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fki h ALA 1036CO -0.01 0.31 -0.86 -0.07 0.00 0.00 0.00 179.25 178.61 3fki h LEU 1037N 0.00 0.25 0.01 0.00 4.07 -1.26 -3.35 115.31 115.04 3fki h LEU 1037Ca -0.03 -0.20 -0.32 0.00 0.08 0.00 0.00 57.88 57.40 3fki h LEU 1037Cb 1.09 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.70 3fki h LEU 1037CO 0.09 1.00 -1.93 -1.54 -1.08 0.00 0.00 178.44 174.98 3fki n SER 1038N -3.67 0.81 0.00 -0.43 3.41 -0.49 -4.99 113.62 108.27 3fki n SER 1038Ca -0.03 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3fki n SER 1038Cb 0.80 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3fki n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fki n GLY 1039N 1.67 1.21 3.70 5.00 0.00 -0.46 -5.04 105.19 111.27 3fki n GLY 1039Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3fki n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fki s ASN 1040N -2.89 7.26 0.05 1.61 0.01 -1.25 -4.98 114.94 114.75 3fki s ASN 1040Ca 0.00 1.68 -0.30 0.00 -0.71 0.00 0.00 52.86 53.53 3fki s ASN 1040Cb 0.00 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 3fki s ASN 1040CO 0.00 -0.38 1.96 -0.70 -1.51 0.00 0.00 177.10 176.48 3fki s GLU 1041N 1.44 4.14 -0.26 -0.60 2.12 -1.26 -4.42 118.70 119.86 3fki s GLU 1041Ca 0.52 2.63 -0.28 0.00 0.36 0.00 0.00 54.97 58.19 3fki s GLU 1041Cb -0.22 -4.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.02 3fki s GLU 1041CO 0.24 -0.95 1.98 0.20 -0.54 0.00 0.00 175.26 176.20 3fki s GLY 1042N 4.31 0.72 -0.47 -1.50 0.00 -0.10 -4.91 107.32 105.37 3fki s GLY 1042Ca 0.88 0.55 -0.28 0.00 0.00 0.00 0.00 44.72 45.87 3fki s GLY 1042CO 0.41 3.50 1.55 -0.35 0.00 0.00 0.00 173.10 178.21 3fki s ASP 1043N 6.88 6.05 0.00 1.64 2.15 -1.26 -0.04 116.67 132.09 3fki s ASP 1043Ca 0.89 0.69 0.07 0.00 0.43 0.00 0.00 52.55 54.63 3fki s ASP 1043Cb -0.28 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 39.97 3fki s ASP 1043CO 0.34 -1.69 1.05 0.00 -0.17 0.00 0.00 175.17 174.70 3fki n ALA 1044N 9.84 2.22 -1.62 3.66 0.00 0.10 -4.91 120.51 129.80 3fki n ALA 1044Ca 0.17 -0.95 -0.47 0.00 0.00 0.00 0.00 53.44 52.19 3fki n ALA 1044Cb 0.49 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 3fki n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3fki n SER 1045N 0.26 1.98 0.00 0.00 7.64 -1.22 -1.93 113.62 120.34 3fki n SER 1045Ca 0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3fki n SER 1045Cb 0.32 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 3fki n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3fki n PRO 1046N 1.78 0.00 -3.50 1.43 -0.02 -1.26 -4.17 135.00 129.27 3fki n PRO 1046Ca 0.13 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 3fki n PRO 1046Cb 0.28 -1.25 -0.08 0.00 -0.02 0.00 0.00 33.50 32.43 3fki n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3fki s PHE 1047N -2.10 3.37 0.25 6.00 0.40 -1.26 -4.74 117.98 119.90 3fki s PHE 1047Ca 0.00 -1.66 0.00 0.00 -0.60 0.00 0.00 56.93 54.67 3fki s PHE 1047Cb 0.00 -3.49 -0.03 0.00 0.51 0.00 0.00 43.02 40.01 3fki s PHE 1047CO 0.00 -0.97 0.23 0.99 0.70 0.00 0.00 175.22 176.16 3fki s THR 1048N 1.43 0.00 -0.13 0.64 2.01 -1.26 -5.02 115.64 113.31 3fki s THR 1048Ca 0.05 -1.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.09 3fki s THR 1048Cb -0.27 -2.48 -0.10 0.00 0.01 0.00 0.00 72.50 69.66 3fki s THR 1048CO 0.01 0.00 3.00 0.47 -0.69 0.00 0.00 174.62 177.41 3fki n ASP 1049N -0.71 5.65 -4.26 3.53 8.00 -1.26 -4.87 116.55 122.64 3fki n ASP 1049Ca 0.03 -2.69 -0.32 0.00 0.71 0.00 0.00 54.79 52.52 3fki n ASP 1049Cb 0.64 -1.29 -0.16 0.00 -0.02 0.00 0.00 41.12 40.29 3fki n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fki s ILE 1050N -0.22 2.32 0.06 0.53 1.01 -1.26 -5.12 121.20 118.52 3fki s ILE 1050Ca 0.50 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3fki s ILE 1050Cb 0.27 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3fki s ILE 1050CO -0.05 0.55 -0.18 -0.89 0.00 0.00 0.00 174.94 174.37 3fki s THR 1051N 0.34 1.43 0.41 2.92 2.01 -1.26 -5.03 115.64 116.46 3fki s THR 1051Ca -0.17 -1.25 0.08 0.00 0.31 0.00 0.00 61.69 60.65 3fki s THR 1051Cb -0.17 -1.29 0.27 0.00 0.01 0.00 0.00 72.50 71.32 3fki s THR 1051CO 0.08 0.00 2.04 -0.37 -0.69 0.00 0.00 174.62 175.69 3fki h VAL 1052N 4.31 1.08 0.00 3.82 -1.51 -1.99 0.31 116.25 122.27 3fki h VAL 1052Ca -0.42 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3fki h VAL 1052Cb 1.18 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3fki h VAL 1052CO 0.42 0.10 0.00 -0.33 -1.23 0.00 0.00 177.57 176.53 3fki h GLU 1053N 0.56 0.00 0.07 5.19 5.08 -1.96 0.06 114.58 123.58 3fki h GLU 1053Ca 0.18 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.28 3fki h GLU 1053Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3fki h GLU 1053CO -0.04 0.00 -1.26 0.78 -1.00 0.00 0.00 179.01 177.49 3fki h GLY 1054N 3.02 0.17 1.48 -3.84 0.00 -1.43 -3.14 103.07 99.31 3fki h GLY 1054Ca 0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 3fki h GLY 1054CO 0.00 0.38 -0.49 -2.22 0.00 0.00 0.00 176.54 174.21 3fki h ILE 1055N 0.04 1.31 -0.09 2.60 2.04 -0.72 -3.07 117.51 119.62 3fki h ILE 1055Ca -0.13 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 3fki h ILE 1055Cb 1.91 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 3fki h ILE 1055CO 0.16 0.53 -0.08 0.28 0.00 0.00 0.00 178.15 179.04 3fki h SER 1056N 0.44 0.12 -0.42 1.72 0.02 -1.06 -1.65 113.55 112.72 3fki h SER 1056Ca 0.02 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3fki h SER 1056Cb 1.02 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 3fki h SER 1056CO 0.09 0.22 0.14 0.11 -1.14 0.00 0.00 176.83 176.26 3fki h LYS 1057N 0.13 0.71 0.09 3.45 1.57 -1.48 -2.45 116.57 118.58 3fki h LYS 1057Ca 0.03 -0.12 -0.28 0.00 -1.87 0.00 0.00 60.65 58.41 3fki h LYS 1057Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3fki h LYS 1057CO 0.01 0.62 -1.33 1.25 -0.57 0.00 0.00 179.45 179.43 3fki h LEU 1058N 0.69 0.31 -0.69 2.94 6.46 -1.39 -3.19 115.31 120.44 3fki h LEU 1058Ca 0.16 -0.37 -0.10 0.00 -0.12 0.00 0.00 57.88 57.45 3fki h LEU 1058Cb 0.22 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3fki h LEU 1058CO -0.01 1.30 -0.48 0.25 -0.62 0.00 0.00 178.44 178.89 3fki h LEU 1059N 0.05 0.00 -0.51 2.25 5.85 -1.27 -2.81 115.31 118.87 3fki h LEU 1059Ca -0.16 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 3fki h LEU 1059Cb 1.95 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.97 3fki h LEU 1059CO 0.17 0.48 -0.59 -0.09 -0.34 0.00 0.00 178.44 178.07 3fki h ARG 1060N 0.00 0.00 0.00 1.25 9.65 -1.54 -3.14 114.38 120.60 3fki h ARG 1060Ca -0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 3fki h ARG 1060Cb 1.07 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3fki h ARG 1060CO 0.06 0.59 -0.27 0.93 2.80 0.00 0.00 179.97 184.08 3fki h GLU 1061N 0.00 0.00 -0.01 0.20 4.39 -1.48 -2.99 114.58 114.69 3fki h GLU 1061Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3fki h GLU 1061Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3fki h GLU 1061CO 0.08 0.27 -0.06 0.72 -1.16 0.00 0.00 179.01 178.86 3fki n HIS 1062N -3.97 0.00 0.00 4.33 8.25 -1.19 -4.95 115.22 117.69 3fki n HIS 1062Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3fki n HIS 1062Cb 0.34 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.42 3fki n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fki n GLY 1063N 1.21 2.09 3.83 -1.41 0.00 -1.13 -5.08 105.19 104.69 3fki n GLY 1063Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3fki n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fki s TYR 1064N -2.24 2.77 0.22 1.61 1.51 -1.20 -4.99 117.35 115.03 3fki s TYR 1064Ca 0.00 0.93 -0.31 0.00 -1.01 0.00 0.00 57.07 56.68 3fki s TYR 1064Cb 0.00 -3.31 -0.11 0.00 -0.11 0.00 0.00 41.96 38.43 3fki s TYR 1064CO 0.00 -1.97 1.57 -1.14 -1.11 0.00 0.00 175.55 172.90 3fki s GLN 1065N -5.32 4.19 0.49 -0.62 2.00 -1.26 -4.04 119.66 115.10 3fki s GLN 1065Ca 0.62 2.44 0.33 0.00 -2.00 0.00 0.00 55.36 56.75 3fki s GLN 1065Cb -0.13 -3.10 1.75 0.00 0.80 0.00 0.00 33.01 32.33 3fki s GLN 1065CO 0.52 -0.60 2.01 0.66 -0.50 0.00 0.00 175.29 177.39 3fki h SER 1066N 5.99 0.00 -0.31 6.67 4.64 -1.83 -1.83 113.55 126.87 3fki h SER 1066Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3fki h SER 1066Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fki h SER 1066CO 0.87 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.37 3fki n ARG 1067N -2.69 2.18 0.00 4.77 5.12 -1.26 -4.45 116.66 120.34 3fki n ARG 1067Ca -0.02 -1.97 0.00 0.00 -1.93 0.00 0.00 57.85 53.93 3fki n ARG 1067Cb 0.08 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 3fki n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fki n GLY 1068N 0.96 2.94 3.76 -0.13 0.00 -0.69 -4.92 105.19 107.10 3fki n GLY 1068Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3fki n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fki s PHE 1069N -2.13 2.53 0.04 1.61 0.40 -1.26 -2.11 117.98 117.06 3fki s PHE 1069Ca 0.00 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 3fki s PHE 1069Cb 0.00 -3.63 -0.03 0.00 0.51 0.00 0.00 43.02 39.87 3fki s PHE 1069CO 0.00 -2.34 -0.04 -1.21 0.70 0.00 0.00 175.22 172.33 3fki s GLU 1070N -2.81 0.50 -0.53 0.44 2.02 -0.32 -4.32 118.70 113.67 3fki s GLU 1070Ca 0.68 -0.91 -0.28 0.00 0.02 0.00 0.00 54.97 54.48 3fki s GLU 1070Cb -0.36 0.05 0.02 0.00 0.10 0.00 0.00 34.13 33.94 3fki s GLU 1070CO 0.43 -0.05 1.24 0.08 0.02 0.00 0.00 175.26 176.98 3fki s VAL 1071N -2.47 4.01 0.19 2.63 1.01 -1.26 -2.81 120.40 121.69 3fki s VAL 1071Ca -0.05 0.95 0.05 0.00 0.00 0.00 0.00 61.98 62.93 3fki s VAL 1071Cb -0.03 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 3fki s VAL 1071CO -0.04 -1.17 0.21 -0.04 0.00 0.00 0.00 175.10 174.07 3fki s MET 1072N 4.93 3.12 -0.01 2.72 -1.94 -1.26 -3.76 119.30 123.09 3fki s MET 1072Ca 0.48 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.71 3fki s MET 1072Cb -0.09 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.98 3fki s MET 1072CO 0.28 0.47 -0.23 0.71 -0.01 0.00 0.00 175.02 176.24 3fki s TYR 1073N -1.85 2.44 0.05 -0.03 1.51 0.15 -2.17 117.35 117.44 3fki s TYR 1073Ca 0.33 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 3fki s TYR 1073Cb -0.10 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.17 3fki s TYR 1073CO 0.26 0.07 1.75 1.21 -1.11 0.00 0.00 175.55 177.73 3fki s ASN 1074N -0.84 6.55 0.39 2.29 3.84 0.33 -2.39 114.94 125.11 3fki s ASN 1074Ca 0.11 2.52 0.06 0.00 0.21 0.00 0.00 52.86 55.76 3fki s ASN 1074Cb -0.10 -2.55 0.80 0.00 -0.55 0.00 0.00 41.25 38.85 3fki s ASN 1074CO 0.01 -0.95 2.03 1.23 -2.79 0.00 0.00 177.10 176.62 3fki h GLY 1075N 9.37 0.60 0.32 1.21 0.00 -1.78 0.13 103.07 112.92 3fki h GLY 1075Ca -0.44 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 46.58 3fki h GLY 1075CO 0.94 0.23 -0.30 0.45 0.00 0.00 0.00 176.54 177.86 3fki h HIS 1076N 0.57 0.23 0.04 5.60 3.86 -1.82 -3.41 115.15 120.22 3fki h HIS 1076Ca 0.15 -0.15 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 3fki h HIS 1076Cb -0.01 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 3fki h HIS 1076CO 0.00 1.07 -2.20 0.25 0.86 0.00 0.00 177.93 177.91 3fki n THR 1077N -4.44 1.59 -0.27 2.45 -2.24 -1.21 -5.00 114.28 105.16 3fki n THR 1077Ca -0.11 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 3fki n THR 1077Cb 0.58 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 3fki n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fki n GLY 1078N 2.01 0.75 3.83 3.38 0.00 0.46 -5.04 105.19 110.57 3fki n GLY 1078Ca -0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3fki n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fki s LYS 1079N -0.73 4.10 0.49 1.61 2.20 -1.26 -4.70 119.74 121.45 3fki s LYS 1079Ca 0.00 1.06 -0.23 0.00 -0.36 0.00 0.00 55.97 56.44 3fki s LYS 1079Cb 0.00 -2.16 -0.07 0.00 -1.51 0.00 0.00 37.83 34.10 3fki s LYS 1079CO 0.00 -0.14 1.24 0.15 -0.36 0.00 0.00 175.35 176.24 3fki s LYS 1080N -3.54 3.55 -0.17 4.03 1.02 -1.26 -0.51 119.74 122.85 3fki s LYS 1080Ca 0.61 1.96 -0.20 0.00 0.02 0.00 0.00 55.97 58.35 3fki s LYS 1080Cb -0.10 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3fki s LYS 1080CO 0.21 -0.78 0.61 -0.51 -0.92 0.00 0.00 175.35 173.95 3fki s LEU 1081N -3.17 4.18 0.21 3.17 1.43 -0.92 -4.80 118.68 118.77 3fki s LEU 1081Ca 0.66 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 54.45 3fki s LEU 1081Cb -0.33 -2.86 0.22 0.00 0.03 0.00 0.00 46.19 43.24 3fki s LEU 1081CO 0.40 -0.21 1.60 -0.03 0.23 0.00 0.00 176.35 178.34 3fki h MET 1082N 7.31 -0.07 -6.44 1.70 1.85 -1.95 -3.40 114.93 113.94 3fki h MET 1082Ca -0.34 0.00 -0.48 0.00 -0.61 0.00 0.00 59.70 58.28 3fki h MET 1082Cb 1.15 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.20 3fki h MET 1082CO 0.77 -0.04 -0.24 0.00 -0.40 0.00 0.00 176.91 176.99 3fki s ALA 1083N -6.13 3.74 0.15 0.39 0.00 -1.26 -5.11 121.76 113.54 3fki s ALA 1083Ca -0.14 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3fki s ALA 1083Cb 0.19 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 3fki s ALA 1083CO 0.72 0.06 0.30 -0.65 0.00 0.00 0.00 175.76 176.19 3fki s GLN 1084N -4.18 3.45 -0.13 0.00 1.11 -1.26 -4.84 119.66 113.82 3fki s GLN 1084Ca 0.39 -0.55 -0.00 0.00 0.01 0.00 0.00 55.36 55.21 3fki s GLN 1084Cb -0.10 -2.95 -0.02 0.00 -1.01 0.00 0.00 33.01 28.94 3fki s GLN 1084CO 0.34 0.51 -0.13 0.42 0.01 0.00 0.00 175.29 176.44 3fki s ILE 1085N -1.75 3.06 0.05 1.08 1.09 -1.12 -4.90 121.20 118.71 3fki s ILE 1085Ca 0.35 -0.66 -0.30 0.00 -1.10 0.00 0.00 60.65 58.94 3fki s ILE 1085Cb -0.11 -2.28 -0.08 0.00 -1.06 0.00 0.00 42.46 38.93 3fki s ILE 1085CO 0.29 0.53 1.63 0.12 -0.10 0.00 0.00 174.94 177.40 3fki s PHE 1086N 0.31 2.41 0.03 3.97 5.36 -1.26 -1.17 117.98 127.62 3fki s PHE 1086Ca -0.10 0.35 0.02 0.00 -0.96 0.00 0.00 56.93 56.23 3fki s PHE 1086Cb -0.16 -3.93 -0.02 0.00 -0.34 0.00 0.00 43.02 38.57 3fki s PHE 1086CO 0.06 -3.74 -0.06 0.12 -1.46 0.00 0.00 175.22 170.13 3fki s PHE 1087N 2.78 0.54 -5.00 10.12 5.36 -0.90 -2.92 117.98 127.97 3fki s PHE 1087Ca 0.73 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 3fki s PHE 1087Cb -0.38 -0.34 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 3fki s PHE 1087CO 0.32 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.38 3fki n GLY 1088N 1.58 -1.00 0.00 13.12 0.00 -1.11 -4.76 105.19 113.02 3fki n GLY 1088Ca -0.23 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3fki n GLY 1088CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fki n PRO 1089N 0.00 0.00 0.00 1.61 -0.02 -1.26 0.28 135.00 135.61 3fki n PRO 1089Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3fki n PRO 1089Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3fki n PRO 1089CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3fki n THR 1090N 0.00 -0.04 -3.35 3.45 -1.04 -1.23 -2.19 114.28 109.88 3fki n THR 1090Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 3fki n THR 1090Cb 0.00 -0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.44 3fki n THR 1090CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3fki s TYR 1091N -0.72 3.67 -0.07 -1.42 5.04 -1.26 -1.72 117.35 120.87 3fki s TYR 1091Ca 0.00 1.04 -0.00 0.00 -2.44 0.00 0.00 57.07 55.67 3fki s TYR 1091Cb 0.00 -2.46 0.02 0.00 0.35 0.00 0.00 41.96 39.87 3fki s TYR 1091CO 0.00 0.43 -0.03 0.71 -1.34 0.00 0.00 175.55 175.32 3fki s TYR 1092N -0.38 0.83 -0.21 4.97 1.51 -0.40 -4.42 117.35 119.24 3fki s TYR 1092Ca 0.27 -0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 55.94 3fki s TYR 1092Cb -0.17 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 3fki s TYR 1092CO 0.14 -0.30 0.20 1.14 -1.11 0.00 0.00 175.55 175.62 3fki s GLN 1093N 1.48 4.15 -0.59 -0.62 -2.07 -0.62 -1.17 119.66 120.23 3fki s GLN 1093Ca -0.02 -0.14 -0.28 0.00 -1.82 0.00 0.00 55.36 53.11 3fki s GLN 1093Cb -0.13 -3.49 0.03 0.00 -1.09 0.00 0.00 33.01 28.33 3fki s GLN 1093CO -0.03 0.14 1.26 0.50 -1.32 0.00 0.00 175.29 175.84 3fki s ARG 1094N 0.80 3.44 0.35 9.60 3.52 -1.26 -3.38 118.95 132.02 3fki s ARG 1094Ca 0.11 0.27 -0.17 0.00 -0.13 0.00 0.00 55.73 55.81 3fki s ARG 1094Cb -0.13 -4.05 -0.10 0.00 -1.56 0.00 0.00 34.95 29.11 3fki s ARG 1094CO 0.03 -1.78 0.80 -0.48 -0.81 0.00 0.00 175.30 173.06 3fki s LEU 1095N 5.30 4.03 0.00 -0.88 0.05 -1.26 -0.89 118.68 125.03 3fki s LEU 1095Ca 0.45 1.40 0.00 0.00 0.05 0.00 0.00 54.13 56.03 3fki s LEU 1095Cb -0.08 -4.21 0.00 0.00 -2.05 0.00 0.00 46.19 39.84 3fki s LEU 1095CO 0.25 -0.25 0.00 -2.11 -0.55 0.00 0.00 176.35 173.69 3fki n ARG 1096N -0.44 1.39 -3.22 1.48 1.85 0.59 -4.62 116.66 113.68 3fki n ARG 1096Ca 0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.75 3fki n ARG 1096Cb 0.53 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.01 3fki n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3fki n HIS 1097N -0.16 -2.48 -1.71 2.89 8.25 -1.26 -4.75 115.22 116.01 3fki n HIS 1097Ca 0.00 0.87 -0.29 0.00 -0.26 0.00 0.00 57.72 58.04 3fki n HIS 1097Cb 0.00 -4.11 0.13 0.00 1.12 0.00 0.00 29.99 27.12 3fki n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3fki s MET 1098N -4.30 1.32 0.09 -0.41 -1.94 -1.26 -4.50 119.30 108.31 3fki s MET 1098Ca 0.43 0.13 -0.22 0.00 -1.71 0.00 0.00 55.69 54.32 3fki s MET 1098Cb -0.06 -1.87 -0.12 0.00 2.01 0.00 0.00 34.83 34.79 3fki s MET 1098CO 0.73 -2.04 1.70 -0.24 -0.01 0.00 0.00 175.02 175.16 3fki h VAL 1099N -1.38 1.07 0.00 -6.03 3.04 -1.93 -2.80 116.25 108.22 3fki h VAL 1099Ca -0.48 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3fki h VAL 1099Cb 1.32 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 3fki h VAL 1099CO 0.60 0.06 0.00 0.47 -1.01 0.00 0.00 177.57 177.69 3fki n ASP 1100N -4.99 0.00 -0.63 3.17 9.92 -1.26 -0.70 116.55 122.07 3fki n ASP 1100Ca -0.05 0.27 0.13 0.00 -0.53 0.00 0.00 54.79 54.61 3fki n ASP 1100Cb 0.06 -0.38 0.40 0.00 -0.64 0.00 0.00 41.12 40.55 3fki n ASP 1100CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3fki n ASP 1101N -1.38 1.96 -0.02 -2.24 8.00 -1.06 -4.41 116.55 117.39 3fki n ASP 1101Ca 0.05 -1.66 -0.02 0.00 0.71 0.00 0.00 54.79 53.87 3fki n ASP 1101Cb 0.13 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3fki n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3fki n LYS 1102N 0.53 2.98 -1.69 -1.24 4.76 0.13 -4.99 118.16 118.65 3fki n LYS 1102Ca 0.18 -0.01 -0.50 0.00 -2.87 0.00 0.00 58.31 55.11 3fki n LYS 1102Cb 0.43 -1.13 -0.05 0.00 -1.84 0.00 0.00 35.03 32.43 3fki n LYS 1102CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3fki n ILE 1103N -2.17 0.49 -5.16 -0.18 -0.00 -1.12 -4.98 119.36 106.24 3fki n ILE 1103Ca -0.08 -0.09 -0.29 0.00 -0.00 0.00 0.00 62.75 62.29 3fki n ILE 1103Cb 0.64 -1.71 -0.16 0.00 -0.00 0.00 0.00 39.64 38.41 3fki n ILE 1103CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 3fki s HIS 1104N 3.78 2.12 -0.12 1.39 2.46 -1.26 -5.04 115.29 118.62 3fki s HIS 1104Ca 0.93 -0.45 -0.05 0.00 0.47 0.00 0.00 55.06 55.95 3fki s HIS 1104Cb -0.78 -1.37 0.05 0.00 -0.13 0.00 0.00 32.58 30.35 3fki s HIS 1104CO 0.54 -0.07 0.26 0.00 -2.47 0.00 0.00 174.74 173.00 3fki s ALA 1105N -0.45 -0.59 -0.02 1.58 0.00 -1.26 -5.14 121.76 115.89 3fki s ALA 1105Ca 0.06 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.05 3fki s ALA 1105Cb -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3fki s ALA 1105CO 0.00 -0.33 -0.02 0.50 0.00 0.00 0.00 175.76 175.91 3fki s ARG 1106N 1.59 0.33 -0.43 0.00 3.52 -1.26 -4.94 118.95 117.76 3fki s ARG 1106Ca -0.06 -0.05 0.05 0.00 -0.13 0.00 0.00 55.73 55.53 3fki s ARG 1106Cb -0.11 -0.39 0.19 0.00 -1.56 0.00 0.00 34.95 33.08 3fki s ARG 1106CO -0.09 -0.01 0.45 0.00 -0.81 0.00 0.00 175.30 174.84 3fki n ALA 1107N 3.47 1.79 -0.58 6.12 0.00 -1.26 -5.06 120.51 124.99 3fki n ALA 1107Ca -0.19 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.56 3fki n ALA 1107Cb 0.55 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3fki n ALA 1107CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fki n ARG 1108N 2.64 -1.26 0.00 0.00 0.63 -1.26 -5.14 116.66 112.27 3fki n ARG 1108Ca 0.26 1.03 0.00 0.00 -0.92 0.00 0.00 57.85 58.22 3fki n ARG 1108Cb 0.51 -0.99 0.00 0.00 0.45 0.00 0.00 32.46 32.43 3fki n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fki n GLY 1109N -0.02 2.55 3.77 5.14 0.00 -1.26 -5.15 105.19 110.21 3fki n GLY 1109Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3fki n GLY 1109CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fki s PRO 1110N 4.81 4.33 -0.08 1.61 0.04 -1.26 -5.05 135.00 139.40 3fki s PRO 1110Ca 0.00 2.24 0.04 0.00 0.04 0.00 0.00 61.00 63.32 3fki s PRO 1110Cb 0.00 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3fki s PRO 1110CO 0.00 -0.23 -0.20 -1.64 0.04 0.00 0.00 177.00 174.96 3fki s MET 1111N -1.59 2.53 0.14 4.56 -1.94 -1.26 -3.70 119.30 118.04 3fki s MET 1111Ca 0.50 -0.74 -0.30 0.00 -1.71 0.00 0.00 55.69 53.44 3fki s MET 1111Cb -0.40 -1.99 -0.08 0.00 2.01 0.00 0.00 34.83 34.38 3fki s MET 1111CO 0.52 0.17 1.28 -1.14 -0.01 0.00 0.00 175.02 175.84 3fki s GLN 1112N 0.34 4.40 0.48 2.03 0.74 -0.69 -4.87 119.66 122.09 3fki s GLN 1112Ca -0.15 1.95 0.20 0.00 0.05 0.00 0.00 55.36 57.41 3fki s GLN 1112Cb -0.16 -3.26 1.21 0.00 1.10 0.00 0.00 33.01 31.90 3fki s GLN 1112CO 0.06 -0.27 2.03 -0.24 -0.55 0.00 0.00 175.29 176.33 3fki h VAL 1113N 4.08 0.89 0.07 1.34 3.04 -1.97 0.59 116.25 124.28 3fki h VAL 1113Ca -0.43 -0.58 -0.24 0.00 -1.01 0.00 0.00 66.70 64.44 3fki h VAL 1113Cb 1.21 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 3fki h VAL 1113CO 0.80 0.15 -1.11 0.25 -1.01 0.00 0.00 177.57 176.65 3fki h LEU 1114N 0.00 0.24 0.00 3.16 5.85 -1.97 -3.39 115.31 119.21 3fki h LEU 1114Ca -0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3fki h LEU 1114Cb 0.32 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3fki h LEU 1114CO 0.02 1.18 -0.95 0.41 -0.34 0.00 0.00 178.44 178.76 3fki n THR 1115N -3.47 0.00 -1.49 1.05 -1.04 -1.09 -5.00 114.28 103.24 3fki n THR 1115Ca -0.05 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.05 61.71 3fki n THR 1115Cb 0.97 0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 69.93 3fki n THR 1115CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3fki n ARG 1116N -1.49 -1.50 -3.75 -2.82 1.74 0.21 -4.43 116.66 104.62 3fki n ARG 1116Ca -0.00 1.07 -0.31 0.00 -0.77 0.00 0.00 57.85 57.84 3fki n ARG 1116Cb 0.04 -5.43 -0.04 0.00 -1.02 0.00 0.00 32.46 26.00 3fki n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fki s GLN 1117N -3.44 3.56 0.31 5.56 -0.21 -1.26 -4.64 119.66 119.55 3fki s GLN 1117Ca 0.00 -0.21 -0.28 0.00 0.02 0.00 0.00 55.36 54.89 3fki s GLN 1117Cb 0.00 -2.90 -0.13 0.00 1.00 0.00 0.00 33.01 30.97 3fki s GLN 1117CO 0.00 0.50 1.10 -2.30 -2.12 0.00 0.00 175.29 172.47 3fki n PRO 1118N 0.09 1.60 -1.42 2.91 -0.02 -1.26 -1.70 135.00 135.21 3fki n PRO 1118Ca -0.03 0.56 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 3fki n PRO 1118Cb 0.52 -2.00 0.17 0.00 -0.02 0.00 0.00 33.50 32.17 3fki n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3fki s VAL 1119N -1.08 1.91 0.13 -1.45 -7.23 -1.24 -4.57 120.40 106.87 3fki s VAL 1119Ca 0.58 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.59 3fki s VAL 1119Cb -0.65 -2.68 -0.07 0.00 0.56 0.00 0.00 36.38 33.54 3fki s VAL 1119CO 0.61 0.00 0.56 -0.70 -0.31 0.00 0.00 175.10 175.26 3fki s GLU 1120N -5.33 4.05 0.00 4.82 2.12 -1.26 -1.85 118.70 121.25 3fki s GLU 1120Ca 0.67 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.58 3fki s GLU 1120Cb -0.13 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3fki s GLU 1120CO 0.55 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 176.19 3fki n GLY 1121N 1.05 -2.20 0.10 -1.50 0.00 -1.26 -4.62 105.19 96.74 3fki n GLY 1121Ca -0.07 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.66 3fki n GLY 1121CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fki n ARG 1122N -1.39 0.27 -0.09 1.61 1.85 -1.26 -2.22 116.66 115.43 3fki n ARG 1122Ca 0.00 0.19 -0.01 0.00 -1.00 0.00 0.00 57.85 57.02 3fki n ARG 1122Cb 0.00 -1.78 0.24 0.00 -1.05 0.00 0.00 32.46 29.87 3fki n ARG 1122CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3fki h SER 1123N 0.00 0.67 -0.45 2.89 4.64 -1.98 -2.83 113.55 116.49 3fki h SER 1123Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3fki h SER 1123Cb 0.74 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3fki h SER 1123CO 0.00 0.66 0.00 0.54 -0.87 0.00 0.00 176.83 177.16 3fki n ARG 1124N -4.30 3.93 -3.31 4.77 1.74 -1.25 -4.81 116.66 113.42 3fki n ARG 1124Ca 0.03 -2.97 -0.18 0.00 -0.77 0.00 0.00 57.85 53.97 3fki n ARG 1124Cb 0.21 -2.02 0.06 0.00 -1.02 0.00 0.00 32.46 29.69 3fki n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fki n ASP 1125N 0.24 -5.21 -2.08 0.55 -0.08 -1.07 -4.73 116.55 104.17 3fki n ASP 1125Ca 0.24 -0.40 -0.00 0.00 -1.51 0.00 0.00 54.79 53.13 3fki n ASP 1125Cb 1.01 -3.84 0.00 0.00 2.34 0.00 0.00 41.12 40.64 3fki n ASP 1125CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fki n GLY 1126N -1.61 -1.32 3.71 0.27 0.00 -0.94 -4.40 105.19 100.89 3fki n GLY 1126Ca 0.01 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 3fki n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fki s GLY 1127N -2.94 2.44 0.40 -0.02 0.00 -0.77 -4.61 107.32 101.82 3fki s GLY 1127Ca 0.00 -2.02 -0.00 0.00 0.00 0.00 0.00 44.72 42.70 3fki s GLY 1127CO 0.00 -1.99 0.62 1.08 0.00 0.00 0.00 173.10 172.81 3fki s LEU 1128N -3.86 3.83 -0.18 0.66 1.43 -1.26 -4.63 118.68 114.67 3fki s LEU 1128Ca 0.37 0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 53.70 3fki s LEU 1128Cb 0.05 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3fki s LEU 1128CO 0.20 -0.48 0.64 -0.60 0.23 0.00 0.00 176.35 176.34 3fki s ARG 1129N -4.46 4.24 -0.85 1.70 6.06 -1.26 -4.99 118.95 119.39 3fki s ARG 1129Ca 0.44 0.65 0.00 0.00 -2.50 0.00 0.00 55.73 54.33 3fki s ARG 1129Cb -0.10 -3.56 0.23 0.00 0.06 0.00 0.00 34.95 31.58 3fki s ARG 1129CO 0.38 -0.21 0.81 0.34 -2.50 0.00 0.00 175.30 174.12 3fki n PHE 1130N 4.93 3.78 -0.58 5.12 7.35 -1.26 -5.04 117.46 131.76 3fki n PHE 1130Ca -0.01 -4.00 0.00 0.00 -0.76 0.00 0.00 57.45 52.68 3fki n PHE 1130Cb 0.50 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.36 3fki n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fki n GLY 1131N 1.88 -2.14 0.27 7.13 0.00 -1.26 -4.67 105.19 106.39 3fki n GLY 1131Ca 0.23 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 3fki n GLY 1131CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fki h GLU 1132N 0.00 0.90 -0.61 1.61 4.81 -2.00 -1.54 114.58 117.75 3fki h GLU 1132Ca 0.00 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3fki h GLU 1132Cb 0.00 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3fki h GLU 1132CO 0.00 0.84 0.38 0.52 -0.73 0.00 0.00 179.01 180.01 3fki h MET 1133N 0.81 0.82 -0.42 1.92 2.86 -2.01 -2.76 114.93 116.16 3fki h MET 1133Ca 0.18 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3fki h MET 1133Cb 0.33 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3fki h MET 1133CO 0.00 0.58 0.08 0.93 1.06 0.00 0.00 176.91 179.56 3fki h GLU 1134N 0.83 0.64 -0.29 1.72 3.07 -1.80 -2.79 114.58 115.95 3fki h GLU 1134Ca 0.22 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 3fki h GLU 1134Cb -0.04 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 3fki h GLU 1134CO -0.04 0.60 0.00 -0.09 -1.40 0.00 0.00 179.01 178.08 3fki h ARG 1135N 0.62 0.50 -0.87 2.33 2.43 -1.09 -3.25 114.38 115.05 3fki h ARG 1135Ca 0.14 -0.16 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 3fki h ARG 1135Cb 0.27 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 3fki h ARG 1135CO 0.00 0.65 0.57 -0.44 -1.51 0.00 0.00 179.97 179.24 3fki h ASP 1136N 0.29 0.65 -0.10 -3.80 3.32 -1.21 -1.20 116.42 114.37 3fki h ASP 1136Ca 0.08 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3fki h ASP 1136Cb 0.42 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3fki h ASP 1136CO 0.01 0.34 -0.15 0.00 -1.72 0.00 0.00 179.24 177.73 3fki h MET 1138N 0.42 0.00 -0.34 0.00 2.86 -1.33 -0.73 114.93 115.81 3fki h MET 1138Ca 0.08 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3fki h MET 1138Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3fki h MET 1138CO 0.03 0.71 -0.07 0.82 1.06 0.00 0.00 176.91 179.46 3fki h ILE 1139N 0.00 1.28 -0.94 -1.22 2.04 -1.20 0.82 117.51 118.29 3fki h ILE 1139Ca -0.01 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.75 3fki h ILE 1139Cb 1.35 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 3fki h ILE 1139CO 0.09 0.37 0.62 0.00 0.00 0.00 0.00 178.15 179.23 3fki h ALA 1140N 0.82 1.20 -0.16 1.87 0.00 -1.02 -1.62 119.26 120.35 3fki h ALA 1140Ca 0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3fki h ALA 1140Cb 0.56 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fki h ALA 1140CO 0.03 0.56 -0.49 0.45 0.00 0.00 0.00 179.25 179.80 3fki h HIS 1141N 1.25 0.53 0.00 0.00 3.86 -1.08 -3.47 115.15 116.23 3fki h HIS 1141Ca 0.35 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3fki h HIS 1141Cb -0.10 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.26 3fki h HIS 1141CO -0.01 0.84 0.00 0.41 0.86 0.00 0.00 177.93 180.03 3fki n GLY 1142N 0.09 0.70 3.56 2.45 0.00 0.24 -4.99 105.19 107.22 3fki n GLY 1142Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 3fki n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fki s ALA 1143N -2.74 1.08 -0.05 4.61 0.00 -0.92 -4.79 121.76 118.96 3fki s ALA 1143Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 3fki s ALA 1143Cb 0.00 -4.57 -0.23 0.00 0.00 0.00 0.00 23.12 18.31 3fki s ALA 1143CO 0.00 -5.50 1.03 0.00 0.00 0.00 0.00 175.76 171.29 3fki h ALA 1144N 12.07 0.03 -0.48 0.00 0.00 -1.94 -2.70 119.26 126.24 3fki h ALA 1144Ca 0.04 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3fki h ALA 1144Cb 1.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3fki h ALA 1144CO 1.09 0.08 0.00 0.77 0.00 0.00 0.00 179.25 181.19 3fki h SER 1145N -0.50 0.77 -0.25 0.00 0.02 -1.99 -2.24 113.55 109.36 3fki h SER 1145Ca -0.03 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.61 3fki h SER 1145Cb 0.99 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3fki h SER 1145CO 0.05 0.84 -0.35 0.15 -1.14 0.00 0.00 176.83 176.38 3fki h PHE 1146N 0.75 0.83 -0.94 3.45 3.57 -1.97 0.16 116.94 122.79 3fki h PHE 1146Ca 0.15 -0.27 0.04 0.00 3.53 0.00 0.00 57.97 61.41 3fki h PHE 1146Cb 0.45 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 3fki h PHE 1146CO 0.02 1.03 0.61 1.25 -2.23 0.00 0.00 178.31 178.99 3fki h LEU 1147N 0.39 1.01 -0.44 0.59 6.46 -1.38 -0.96 115.31 120.98 3fki h LEU 1147Ca 0.03 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.69 3fki h LEU 1147Cb 0.93 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 3fki h LEU 1147CO 0.08 0.68 -0.10 0.50 -0.62 0.00 0.00 178.44 178.98 3fki h LYS 1148N 1.17 0.85 0.00 1.25 3.11 -1.29 -3.05 116.57 118.61 3fki h LYS 1148Ca 0.38 -0.32 -0.04 0.00 -2.81 0.00 0.00 60.65 57.86 3fki h LYS 1148Cb 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 3fki h LYS 1148CO -0.13 0.96 -0.20 1.49 -2.81 0.00 0.00 179.45 178.75 3fki h GLU 1149N 0.69 0.00 -0.25 1.90 4.81 -0.27 0.48 114.58 121.94 3fki h GLU 1149Ca 0.11 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.19 3fki h GLU 1149Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3fki h GLU 1149CO 0.04 0.20 -0.46 0.00 -0.73 0.00 0.00 179.01 178.07 3fki h ARG 1150N 0.00 0.76 0.00 1.92 2.47 -1.19 -3.09 114.38 115.24 3fki h ARG 1150Ca -0.00 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3fki h ARG 1150Cb 0.62 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3fki h ARG 1150CO 0.03 1.10 -0.05 -0.07 0.56 0.00 0.00 179.97 181.54 3fki h LEU 1151N 0.49 0.00 0.00 3.04 4.07 -1.24 -3.33 115.31 118.35 3fki h LEU 1151Ca 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3fki h LEU 1151Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3fki h LEU 1151CO 0.10 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.70 3fki n MET 1152N -2.63 0.00 0.26 1.13 2.81 0.08 -3.55 117.12 115.22 3fki n MET 1152Ca 0.05 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.10 3fki n MET 1152Cb 0.48 0.00 0.88 0.00 -0.71 0.00 0.00 33.22 33.86 3fki n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3fki h GLU 1153N 0.00 0.00 -0.21 0.03 3.07 -1.79 0.16 114.58 115.83 3fki h GLU 1153Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fki h GLU 1153Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fki h GLU 1153CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 3fki n ALA 1154N -1.91 2.55 -2.00 3.43 0.00 -1.17 -4.96 120.51 116.45 3fki n ALA 1154Ca -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.50 3fki n ALA 1154Cb 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3fki n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fki n SER 1155N -0.39 0.00 0.00 0.00 2.88 0.55 -4.93 113.62 111.73 3fki n SER 1155Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3fki n SER 1155Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 3fki n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3fki n ASP 1156N 0.00 0.00 -2.74 -3.46 10.43 -1.16 -4.78 116.55 114.83 3fki n ASP 1156Ca 0.00 0.07 -0.03 0.00 2.57 0.00 0.00 54.79 57.40 3fki n ASP 1156Cb 0.00 -0.01 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3fki n ASP 1156CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fki n ALA 1157N -0.52 -3.18 -3.03 2.24 0.00 -1.22 -4.77 120.51 110.02 3fki n ALA 1157Ca 0.00 1.43 -0.12 0.00 0.00 0.00 0.00 53.44 54.75 3fki n ALA 1157Cb 0.00 -2.90 -0.12 0.00 0.00 0.00 0.00 19.45 16.42 3fki n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3fki s PHE 1158N -0.88 -0.15 -0.37 0.00 5.36 -0.93 -4.89 117.98 116.13 3fki s PHE 1158Ca -0.15 0.36 -0.11 0.00 -0.96 0.00 0.00 56.93 56.07 3fki s PHE 1158Cb 0.01 0.05 0.03 0.00 -0.34 0.00 0.00 43.02 42.77 3fki s PHE 1158CO 0.64 -0.09 0.20 0.50 -1.46 0.00 0.00 175.22 175.01 3fki s ARG 1159N -0.02 2.82 0.27 10.12 3.00 -1.26 -1.93 118.95 131.95 3fki s ARG 1159Ca -0.01 -1.09 0.09 0.00 -1.00 0.00 0.00 55.73 53.73 3fki s ARG 1159Cb -0.01 -3.72 -0.04 0.00 0.00 0.00 0.00 34.95 31.17 3fki s ARG 1159CO 0.00 -0.70 0.02 0.08 0.00 0.00 0.00 175.30 174.70 3fki s VAL 1160N 1.55 3.49 -0.10 7.11 1.01 -1.02 -4.99 120.40 127.46 3fki s VAL 1160Ca 0.02 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.14 3fki s VAL 1160Cb -0.19 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3fki s VAL 1160CO 0.07 -0.36 -0.13 -1.00 0.00 0.00 0.00 175.10 173.68 3fki s HIS 1161N -2.32 2.79 0.13 5.22 3.76 -1.26 -2.25 115.29 121.37 3fki s HIS 1161Ca 0.32 -0.42 0.07 0.00 -0.15 0.00 0.00 55.06 54.88 3fki s HIS 1161Cb -0.06 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 3fki s HIS 1161CO 0.20 -0.03 -0.04 0.42 -0.85 0.00 0.00 174.74 174.44 3fki s ILE 1162N -0.10 3.64 0.41 0.60 1.01 -0.62 -4.27 121.20 121.87 3fki s ILE 1162Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 60.65 59.17 3fki s ILE 1162Cb -0.14 -2.77 -0.09 0.00 0.01 0.00 0.00 42.46 39.48 3fki s ILE 1162CO 0.04 0.01 0.86 0.00 0.00 0.00 0.00 174.94 175.84 3fki h GLY 1164N 1.73 0.31 0.00 0.00 0.00 -1.80 -3.39 103.07 99.92 3fki h GLY 1164Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.51 3fki h GLY 1164CO 0.63 0.31 0.00 1.39 0.00 0.00 0.00 176.54 178.87 3fki n ILE 1165N -3.95 0.00 -2.83 2.60 -0.00 -1.26 -4.84 119.36 109.08 3fki n ILE 1165Ca -0.02 0.50 -0.41 0.00 -0.00 0.00 0.00 62.75 62.81 3fki n ILE 1165Cb 0.56 -1.49 -0.04 0.00 -0.00 0.00 0.00 39.64 38.67 3fki n ILE 1165CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3fki n GLY 1167N 3.07 2.90 3.26 0.00 0.00 -1.26 -3.70 105.19 109.46 3fki n GLY 1167Ca 0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3fki n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fki s LEU 1168N -0.23 2.05 -1.34 0.99 1.43 -1.26 -0.29 118.68 120.03 3fki s LEU 1168Ca 0.32 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 3fki s LEU 1168Cb 0.16 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 3fki s LEU 1168CO -0.01 0.28 2.42 1.15 0.23 0.00 0.00 176.35 180.42 3fki n MET 1169N 2.49 2.83 0.00 1.70 0.00 -1.26 -3.66 117.12 119.22 3fki n MET 1169Ca -0.16 -2.19 0.02 0.00 0.00 0.00 0.00 57.70 55.38 3fki n MET 1169Cb 0.52 -2.95 0.02 0.00 0.00 0.00 0.00 33.22 30.81 3fki n MET 1169CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3fki n THR 1170N 4.58 0.00 -2.46 3.17 -2.24 -1.26 -4.96 114.28 111.11 3fki n THR 1170Ca 0.60 -0.49 -0.40 0.00 -2.27 0.00 0.00 64.05 61.48 3fki n THR 1170Cb 0.30 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 3fki n THR 1170CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3fki s VAL 1171N -0.46 3.46 -0.11 2.28 -7.23 -1.26 -4.95 120.40 112.12 3fki s VAL 1171Ca 0.05 1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 61.39 3fki s VAL 1171Cb 0.04 -3.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 3fki s VAL 1171CO 0.07 0.35 1.23 -0.63 -0.31 0.00 0.00 175.10 175.80 3fki s ILE 1172N -1.11 4.28 -0.91 -0.62 1.09 -1.18 -4.95 121.20 117.79 3fki s ILE 1172Ca 0.45 1.57 -0.01 0.00 -1.10 0.00 0.00 60.65 61.56 3fki s ILE 1172Cb -0.32 -4.01 0.25 0.00 -1.06 0.00 0.00 42.46 37.31 3fki s ILE 1172CO 0.41 -0.07 0.93 0.00 -0.10 0.00 0.00 174.94 176.12 3fki n ALA 1173N 5.92 4.13 -2.51 9.38 0.00 -1.26 -4.27 120.51 131.89 3fki n ALA 1173Ca 0.12 -4.67 -0.41 0.00 0.00 0.00 0.00 53.44 48.49 3fki n ALA 1173Cb 0.45 -1.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 3fki n ALA 1173CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fki s LYS 1174N -1.80 3.72 -1.39 0.00 1.02 -1.15 -4.87 119.74 115.26 3fki s LYS 1174Ca 0.30 -1.67 -0.10 0.00 0.02 0.00 0.00 55.97 54.52 3fki s LYS 1174Cb -0.02 -5.46 -0.06 0.00 -0.52 0.00 0.00 37.83 31.77 3fki s LYS 1174CO -0.06 -2.44 2.60 1.28 -0.92 0.00 0.00 175.35 175.81 3fki n LEU 1175N 9.22 7.35 0.16 3.17 4.77 -1.26 -2.68 117.00 137.73 3fki n LEU 1175Ca 0.45 -3.92 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 3fki n LEU 1175Cb 0.47 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 3fki n LEU 1175CO 0.73 1.46 0.00 -3.20 -1.33 0.00 0.00 177.39 175.05 3fki n ASN 1176N 4.33 -2.73 -1.05 -1.43 5.15 -1.26 -4.91 115.26 113.36 3fki n ASN 1176Ca 0.65 0.62 0.09 0.00 -0.60 0.00 0.00 54.58 55.35 3fki n ASN 1176Cb 0.24 2.68 0.26 0.00 -0.53 0.00 0.00 39.78 42.43 3fki n ASN 1176CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3fki n HIS 1177N -3.18 0.74 0.00 1.20 8.25 -1.23 -4.95 115.22 116.04 3fki n HIS 1177Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3fki n HIS 1177Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3fki n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3fki n ASN 1178N 1.17 0.00 -4.68 0.41 3.02 -1.09 -4.96 115.26 109.13 3fki n ASN 1178Ca 0.19 0.00 -0.49 0.00 -0.03 0.00 0.00 54.58 54.25 3fki n ASN 1178Cb 0.48 -0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 3fki n ASN 1178CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fki n GLN 1179N -1.91 1.98 0.00 3.52 6.02 -1.25 -4.90 117.38 120.83 3fki n GLN 1179Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 3fki n GLN 1179Cb 0.00 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 28.75 3fki n GLN 1179CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3fki n PHE 1180N 5.42 0.00 -0.72 1.08 3.72 -1.26 -2.91 117.46 122.79 3fki n PHE 1180Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3fki n PHE 1180Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3fki n PHE 1180CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3fki n GLU 1181N -0.67 -2.03 -3.06 -1.08 1.02 -1.24 -3.65 120.64 109.94 3fki n GLU 1181Ca 0.00 1.52 -0.21 0.00 -0.02 0.00 0.00 57.16 58.46 3fki n GLU 1181Cb 0.00 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.63 3fki n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fki n LYS 1183N 0.06 2.04 0.00 0.00 -0.00 -1.26 -0.21 118.16 118.79 3fki n LYS 1183Ca 0.27 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 59.32 3fki n LYS 1183Cb 0.58 -2.58 0.00 0.00 -0.00 0.00 0.00 35.03 33.03 3fki n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fki n GLY 1184N 4.42 3.85 0.04 2.58 0.00 -1.26 -4.74 105.19 110.09 3fki n GLY 1184Ca 0.23 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 3fki n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fki n ASP 1186N -2.28 -7.35 -3.61 0.00 -0.08 0.67 -5.02 116.55 98.87 3fki n ASP 1186Ca -0.14 1.02 -0.11 0.00 -1.51 0.00 0.00 54.79 54.05 3fki n ASP 1186Cb 0.71 -4.88 -0.06 0.00 2.34 0.00 0.00 41.12 39.22 3fki n ASP 1186CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3fki s ASN 1187N -1.78 -0.46 0.00 1.67 2.20 -1.26 -4.95 114.94 110.37 3fki s ASN 1187Ca 0.07 0.74 0.12 0.00 -0.94 0.00 0.00 52.86 52.86 3fki s ASN 1187Cb -0.02 0.70 -0.09 0.00 -2.00 0.00 0.00 41.25 39.84 3fki s ASN 1187CO 0.69 -0.25 0.59 0.29 -2.94 0.00 0.00 177.10 175.48 3fki n LYS 1188N 1.66 2.63 -0.08 3.55 5.02 -1.26 -2.55 118.16 127.12 3fki n LYS 1188Ca -0.12 -0.22 -0.10 0.00 -2.02 0.00 0.00 58.31 55.85 3fki n LYS 1188Cb 0.57 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 3fki n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3fki n ILE 1189N -0.94 1.46 -2.57 -0.18 -0.00 -1.26 -4.64 119.36 111.23 3fki n ILE 1189Ca 0.03 0.13 -0.41 0.00 -0.00 0.00 0.00 62.75 62.50 3fki n ILE 1189Cb 0.22 -2.29 -0.03 0.00 -0.00 0.00 0.00 39.64 37.54 3fki n ILE 1189CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3fki s ASP 1190N -6.08 6.43 0.01 4.38 -1.08 -1.26 -4.94 116.67 114.13 3fki s ASP 1190Ca -0.21 -1.25 0.00 0.00 -0.52 0.00 0.00 52.55 50.57 3fki s ASP 1190Cb 0.04 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.93 3fki s ASP 1190CO 0.34 -1.57 -0.02 0.27 0.52 0.00 0.00 175.17 174.71 3fki s ILE 1191N 5.06 0.10 0.02 4.11 -5.25 -1.26 -2.11 121.20 121.87 3fki s ILE 1191Ca 0.43 -0.48 0.04 0.00 -0.99 0.00 0.00 60.65 59.65 3fki s ILE 1191Cb -0.02 -0.17 -0.02 0.00 2.95 0.00 0.00 42.46 45.20 3fki s ILE 1191CO -0.04 -0.24 -0.12 -0.31 -1.79 0.00 0.00 174.94 172.43 3fki s TYR 1192N -0.74 1.05 -0.15 1.37 1.51 -0.89 -4.97 117.35 114.53 3fki s TYR 1192Ca -0.08 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 3fki s TYR 1192Cb -0.05 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 3fki s TYR 1192CO -0.00 0.01 0.15 -1.14 -1.11 0.00 0.00 175.55 173.45 3fki s GLN 1193N -0.87 3.78 0.01 -0.62 0.74 -1.26 -1.59 119.66 119.85 3fki s GLN 1193Ca 0.01 -0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.30 3fki s GLN 1193Cb -0.07 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 3fki s GLN 1193CO 0.01 0.57 -0.07 0.96 -0.55 0.00 0.00 175.29 176.20 3fki s ILE 1194N -0.42 0.55 -0.46 -2.34 -4.36 -0.95 -5.01 121.20 108.21 3fki s ILE 1194Ca 0.12 -0.57 -0.15 0.00 -0.26 0.00 0.00 60.65 59.79 3fki s ILE 1194Cb -0.12 -0.52 0.06 0.00 1.25 0.00 0.00 42.46 43.13 3fki s ILE 1194CO 0.02 -0.03 0.37 -1.00 0.24 0.00 0.00 174.94 174.54 3fki s HIS 1195N -0.57 3.25 0.11 1.37 3.76 -1.26 -2.43 115.29 119.51 3fki s HIS 1195Ca -0.01 -0.85 0.04 0.00 -0.15 0.00 0.00 55.06 54.08 3fki s HIS 1195Cb -0.05 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 3fki s HIS 1195CO 0.00 -0.75 -0.11 0.96 -0.85 0.00 0.00 174.74 174.00 3fki s ILE 1196N 1.65 1.04 0.67 0.60 -4.36 -0.81 -4.96 121.20 115.01 3fki s ILE 1196Ca 0.04 -1.73 -0.17 0.00 -0.26 0.00 0.00 60.65 58.52 3fki s ILE 1196Cb -0.23 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.00 3fki s ILE 1196CO 0.07 -0.58 1.28 -2.84 0.24 0.00 0.00 174.94 173.12 3fki s PRO 1197N -2.97 2.45 0.38 0.37 0.02 -1.26 -2.19 135.00 131.80 3fki s PRO 1197Ca 0.08 2.01 0.17 0.00 0.02 0.00 0.00 61.00 63.28 3fki s PRO 1197Cb -0.02 -1.84 0.74 0.00 0.02 0.00 0.00 34.50 33.40 3fki s PRO 1197CO 0.00 -1.67 1.79 -0.92 -0.33 0.00 0.00 177.00 175.88 3fki h TYR 1198N 0.37 0.00 0.00 6.54 3.20 -1.87 -2.26 116.97 122.95 3fki h TYR 1198Ca -0.50 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.27 3fki h TYR 1198Cb 1.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3fki h TYR 1198CO 0.42 0.38 -0.44 0.00 -1.64 0.00 0.00 178.16 176.88 3fki h ALA 1199N 1.62 1.11 -0.14 1.82 0.00 -1.92 -1.76 119.26 119.99 3fki h ALA 1199Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3fki h ALA 1199Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fki h ALA 1199CO 0.05 0.55 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 3fki h ALA 1200N 1.56 0.23 -0.52 0.00 0.00 -1.79 -0.20 119.26 118.53 3fki h ALA 1200Ca -0.00 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.59 3fki h ALA 1200Cb 0.86 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3fki h ALA 1200CO 0.06 0.26 0.02 -0.22 0.00 0.00 0.00 179.25 179.37 3fki h LYS 1201N 0.07 0.14 0.19 0.00 3.64 -1.28 1.00 116.57 120.32 3fki h LYS 1201Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3fki h LYS 1201Cb 0.90 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3fki h LYS 1201CO 0.07 0.09 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.17 3fki h LEU 1202N 0.14 -0.23 -0.42 5.20 -0.00 -1.30 -1.83 115.31 116.87 3fki h LEU 1202Ca 0.27 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 58.24 3fki h LEU 1202Cb 0.40 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 41.04 3fki h LEU 1202CO -0.42 -0.16 -0.14 0.25 -0.00 0.00 0.00 178.44 177.97 3fki h LEU 1203N -0.26 -0.49 -0.81 1.67 5.85 -0.29 0.47 115.31 121.44 3fki h LEU 1203Ca -0.03 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3fki h LEU 1203Cb 0.20 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3fki h LEU 1203CO 0.04 -0.17 0.29 -0.26 -0.34 0.00 0.00 178.44 177.99 3fki h PHE 1204N -0.04 1.20 -0.14 1.25 0.05 -0.79 -1.78 116.94 116.69 3fki h PHE 1204Ca 0.21 -0.10 -0.20 0.00 3.82 0.00 0.00 57.97 61.70 3fki h PHE 1204Cb 0.36 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.95 3fki h PHE 1204CO -0.40 0.92 -0.72 1.96 -0.18 0.00 0.00 178.31 179.89 3fki h GLN 1205N 1.13 0.63 -0.19 1.51 4.20 -0.46 -1.88 115.11 120.04 3fki h GLN 1205Ca 0.26 -0.49 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 3fki h GLN 1205Cb 0.24 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3fki h GLN 1205CO -0.02 1.11 -0.32 0.93 -0.67 0.00 0.00 178.83 179.87 3fki h GLU 1206N 0.44 0.39 -0.07 1.46 5.08 0.01 -1.27 114.58 120.62 3fki h GLU 1206Ca -0.03 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 3fki h GLU 1206Cb 1.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3fki h GLU 1206CO 0.14 0.67 -0.60 -0.07 -1.00 0.00 0.00 179.01 178.15 3fki h LEU 1207N 0.34 0.25 -0.80 1.33 3.38 -1.29 -3.02 115.31 115.50 3fki h LEU 1207Ca 0.04 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3fki h LEU 1207Cb 0.73 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3fki h LEU 1207CO 0.06 0.79 -0.18 0.24 0.09 0.00 0.00 178.44 179.44 3fki h MET 1208N 0.17 0.71 0.00 1.13 2.86 -0.90 0.31 114.93 119.20 3fki h MET 1208Ca -0.01 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 3fki h MET 1208Cb 1.10 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 3fki h MET 1208CO 0.09 0.84 -0.10 0.00 1.06 0.00 0.00 176.91 178.80 3fki h ALA 1209N 1.17 1.31 -0.48 6.32 0.00 -1.17 -1.02 119.26 125.38 3fki h ALA 1209Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fki h ALA 1209Cb 0.66 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fki h ALA 1209CO 0.05 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.10 3fki n MET 1210N -3.66 4.26 -0.90 0.00 2.00 -0.88 -4.93 117.12 113.01 3fki n MET 1210Ca -0.02 -2.64 0.00 0.00 0.00 0.00 0.00 57.70 55.04 3fki n MET 1210Cb 0.22 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.29 3fki n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3fki n ASN 1211N 0.51 -0.28 -4.70 7.83 2.85 -0.39 -5.00 115.26 116.08 3fki n ASN 1211Ca 0.23 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.33 3fki n ASN 1211Cb 1.05 -0.58 -0.07 0.00 1.24 0.00 0.00 39.78 41.43 3fki n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3fki s ILE 1212N -3.24 5.20 -0.38 -1.44 1.01 0.05 -4.96 121.20 117.43 3fki s ILE 1212Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 3fki s ILE 1212Cb 0.00 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3fki s ILE 1212CO 0.00 0.29 0.32 0.42 0.00 0.00 0.00 174.94 175.97 3fki s THR 1213N 0.98 5.22 -0.96 2.92 -4.23 -1.26 -2.55 115.64 115.75 3fki s THR 1213Ca 0.22 -0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 3fki s THR 1213Cb -0.15 -3.88 0.16 0.00 1.34 0.00 0.00 72.50 69.98 3fki s THR 1213CO 0.08 -0.22 1.09 -2.16 -0.54 0.00 0.00 174.62 172.88 3fki s PRO 1214N 1.84 3.71 0.29 3.99 0.05 -1.26 -5.03 135.00 138.59 3fki s PRO 1214Ca 0.08 -2.12 -0.29 0.00 0.05 0.00 0.00 61.00 58.72 3fki s PRO 1214Cb -0.18 -4.81 -0.10 0.00 0.05 0.00 0.00 34.50 29.46 3fki s PRO 1214CO 0.11 -1.64 1.31 1.03 0.05 0.00 0.00 177.00 177.86 3fki s ARG 1215N 1.75 4.38 -0.32 4.56 1.81 -1.26 -4.72 118.95 125.15 3fki s ARG 1215Ca 0.31 2.16 -0.03 0.00 -1.72 0.00 0.00 55.73 56.45 3fki s ARG 1215Cb -0.06 -3.11 0.05 0.00 -0.45 0.00 0.00 34.95 31.39 3fki s ARG 1215CO -0.08 -0.19 0.04 -0.51 -0.68 0.00 0.00 175.30 173.88 3fki s LEU 1216N -1.29 4.10 -0.01 2.53 1.43 0.60 -4.89 118.68 121.15 3fki s LEU 1216Ca 0.51 -1.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3fki s LEU 1216Cb -0.39 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3fki s LEU 1216CO 0.48 -0.30 -0.04 -0.31 0.23 0.00 0.00 176.35 176.41 3fki s TYR 1217N 1.27 2.97 -0.87 0.29 1.51 -1.26 -4.46 117.35 116.80 3fki s TYR 1217Ca -0.03 0.02 0.17 0.00 -1.01 0.00 0.00 57.07 56.22 3fki s TYR 1217Cb -0.20 -1.65 0.65 0.00 -0.11 0.00 0.00 41.96 40.65 3fki s TYR 1217CO -0.01 0.40 1.57 0.25 -1.11 0.00 0.00 175.55 176.65 3fki n THR 1218N 1.63 1.90 -3.81 -0.71 -2.24 -1.26 -4.95 114.28 104.84 3fki n THR 1218Ca -0.16 -1.31 -0.12 0.00 -2.27 0.00 0.00 64.05 60.20 3fki n THR 1218Cb 0.53 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 3fki n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3fki s ASP 1219N -1.07 -0.12 0.17 3.42 1.47 -1.26 -5.15 116.67 114.12 3fki s ASP 1219Ca 0.47 0.06 -0.30 0.00 1.18 0.00 0.00 52.55 53.96 3fki s ASP 1219Cb 0.32 0.32 -0.07 0.00 -0.34 0.00 0.00 42.92 43.14 3fki s ASP 1219CO 0.20 -0.33 1.06 -0.13 0.68 0.00 0.00 175.17 176.65 3fki s ARG 1220N -1.01 4.64 -0.02 2.11 0.52 -1.26 -4.96 118.95 118.97 3fki s ARG 1220Ca -0.11 1.64 -0.02 0.00 -0.52 0.00 0.00 55.73 56.73 3fki s ARG 1220Cb -0.05 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.10 3fki s ARG 1220CO 0.02 0.14 -0.04 -1.13 0.02 0.00 0.00 175.30 174.31 3fki n SER 1221N 2.41 0.30 0.00 0.23 3.41 -1.26 -4.70 113.62 114.01 3fki n SER 1221Ca 0.02 0.05 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 3fki n SER 1221Cb 0.47 -0.11 0.62 0.00 -0.26 0.00 0.00 64.21 64.93 3fki n SER 1221CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3fki n ARG 1222N -3.17 0.81 0.00 4.33 0.63 -1.26 -4.97 116.66 113.02 3fki n ARG 1222Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 3fki n ARG 1222Cb 0.50 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 32.01 3fki n ARG 1222CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3fki n ASP 1223N -0.90 0.00 0.00 6.15 -0.08 -1.26 -5.36 116.55 115.09 3fki n ASP 1223Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 3fki n ASP 1223Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 3fki n ASP 1223CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81