#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n GLU 21 N 0.00 0.02 -4.09 0.11 -0.00 -1.26 -4.56 120.64 110.86 3k1f n GLU 21 Ca 0.00 0.01 -0.33 0.00 -0.00 0.00 0.00 57.16 56.84 3k1f n GLU 21 Cb 0.00 -1.51 -0.16 0.00 -0.00 0.00 0.00 31.44 29.77 3k1f n GLU 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3k1f s SER 22 N -3.09 3.34 -0.25 -1.84 0.01 -1.26 -2.08 113.70 108.54 3k1f s SER 22 Ca 0.12 -0.66 -0.24 0.00 1.31 0.00 0.00 55.95 56.48 3k1f s SER 22 Cb 0.18 -1.52 0.07 0.00 0.21 0.00 0.00 66.02 64.96 3k1f s SER 22 CO 0.64 -0.01 0.69 0.00 0.41 0.00 0.00 173.24 174.97 3k1f s ALA 23 N 1.30 -1.71 0.22 1.44 0.00 -1.26 -4.94 121.76 116.81 3k1f s ALA 23 Ca 0.04 1.91 -0.32 0.00 0.00 0.00 0.00 51.96 53.59 3k1f s ALA 23 Cb -0.14 -1.06 -0.13 0.00 0.00 0.00 0.00 23.12 21.79 3k1f s ALA 23 CO -0.11 -0.33 1.49 -0.35 0.00 0.00 0.00 175.76 176.46 3k1f n PRO 24 N 2.58 2.18 -3.49 0.00 -0.04 -1.26 -3.08 135.00 131.89 3k1f n PRO 24 Ca -0.14 0.78 -0.37 0.00 -0.04 0.00 0.00 63.50 63.72 3k1f n PRO 24 Cb 0.55 -2.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 3k1f n PRO 24 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3k1f s ILE 25 N 0.29 5.23 1.06 0.52 -4.36 -1.26 -4.82 121.20 117.87 3k1f s ILE 25 Ca 0.71 0.69 -0.18 0.00 -0.26 0.00 0.00 60.65 61.61 3k1f s ILE 25 Cb -0.64 -3.68 0.25 0.00 1.25 0.00 0.00 42.46 39.64 3k1f s ILE 25 CO 0.45 0.42 1.30 0.42 0.24 0.00 0.00 174.94 177.77 3k1f s THR 26 N 0.15 1.88 0.04 8.37 -4.23 -1.26 -4.18 115.64 116.41 3k1f s THR 26 Ca 0.20 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.51 3k1f s THR 26 Cb -0.14 -2.88 -0.14 0.00 1.34 0.00 0.00 72.50 70.68 3k1f s THR 26 CO 0.07 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 175.53 3k1f h ALA 27 N -2.01 0.21 0.00 3.99 0.00 -1.99 -3.08 119.26 116.38 3k1f h ALA 27 Ca -0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 3k1f h ALA 27 Cb 1.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3k1f h ALA 27 CO 0.31 0.04 -0.02 1.49 0.00 0.00 0.00 179.25 181.08 3k1f h GLU 28 N -0.03 0.00 -0.33 0.00 4.57 -1.99 -1.26 114.58 115.54 3k1f h GLU 28 Ca 0.03 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3k1f h GLU 28 Cb 0.60 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 3k1f h GLU 28 CO 0.03 0.02 -0.13 -0.44 -1.18 0.00 0.00 179.01 177.31 3k1f h ASP 29 N 0.00 0.56 0.26 1.04 3.32 -1.91 -2.98 116.42 116.72 3k1f h ASP 29 Ca -0.00 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3k1f h ASP 29 Cb 0.10 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3k1f h ASP 29 CO 0.00 0.72 -0.15 0.77 -1.72 0.00 0.00 179.24 178.86 3k1f h SER 30 N 0.53 0.00 0.21 6.45 4.64 -1.31 -2.73 113.55 121.33 3k1f h SER 30 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3k1f h SER 30 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3k1f h SER 30 CO 0.03 0.15 -0.03 -0.50 -0.87 0.00 0.00 176.83 175.61 3k1f h TRP 31 N 0.00 0.00 -0.07 4.77 4.06 -1.64 -0.81 115.95 122.25 3k1f h TRP 31 Ca -0.00 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 3k1f h TRP 31 Cb 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3k1f h TRP 31 CO 0.00 0.03 -0.77 0.00 -3.56 0.00 0.00 178.44 174.14 3k1f h ALA 32 N 1.97 0.52 -0.22 1.49 0.00 -1.66 -0.72 119.26 120.65 3k1f h ALA 32 Ca -0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 3k1f h ALA 32 Cb 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k1f h ALA 32 CO 0.00 0.76 -0.19 0.28 0.00 0.00 0.00 179.25 180.11 3k1f h VAL 33 N 0.30 1.32 -0.36 0.00 2.07 -1.33 -1.25 116.25 116.99 3k1f h VAL 33 Ca -0.04 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 3k1f h VAL 33 Cb 1.36 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 3k1f h VAL 33 CO 0.14 0.41 0.20 0.40 0.02 0.00 0.00 177.57 178.74 3k1f h ILE 34 N 0.21 1.13 -0.18 4.57 2.04 -1.27 -0.91 117.51 123.10 3k1f h ILE 34 Ca 0.04 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3k1f h ILE 34 Cb 0.72 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3k1f h ILE 34 CO 0.05 0.13 -0.11 0.28 0.00 0.00 0.00 178.15 178.50 3k1f h SER 35 N 0.46 -0.36 -0.83 1.72 0.02 -1.06 -0.99 113.55 112.51 3k1f h SER 35 Ca 0.13 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3k1f h SER 35 Cb 0.04 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 3k1f h SER 35 CO -0.02 -0.14 0.55 0.00 -1.14 0.00 0.00 176.83 176.07 3k1f h ALA 36 N 1.03 1.48 0.06 3.77 0.00 -0.98 0.28 119.26 124.90 3k1f h ALA 36 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k1f h ALA 36 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k1f h ALA 36 CO -0.24 0.44 -0.03 0.35 0.00 0.00 0.00 179.25 179.77 3k1f h PHE 37 N 1.04 -0.07 0.00 0.00 3.57 -0.19 -1.06 116.94 120.23 3k1f h PHE 37 Ca 0.33 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 3k1f h PHE 37 Cb 0.02 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3k1f h PHE 37 CO -0.00 0.16 -0.36 0.74 -2.23 0.00 0.00 178.31 176.62 3k1f h PHE 38 N -0.29 0.00 -0.14 0.41 -1.00 -0.96 0.27 116.94 115.23 3k1f h PHE 38 Ca -0.01 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 3k1f h PHE 38 Cb 0.26 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 3k1f h PHE 38 CO -0.00 0.36 -0.67 0.00 -1.61 0.00 0.00 178.31 176.39 3k1f h ARG 39 N 0.00 0.57 0.00 1.51 3.08 -0.89 -2.99 114.38 115.66 3k1f h ARG 39 Ca -0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3k1f h ARG 39 Cb 0.88 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3k1f h ARG 39 CO 0.05 1.05 -0.32 1.49 -1.07 0.00 0.00 179.97 181.16 3k1f h GLU 40 N 0.41 0.00 0.25 0.04 4.81 -1.07 -3.44 114.58 115.58 3k1f h GLU 40 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3k1f h GLU 40 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3k1f h GLU 40 CO 0.13 0.00 -0.12 0.87 -0.73 0.00 0.00 179.01 179.15 3k1f h LYS 41 N -0.75 -0.33 0.00 1.92 1.57 -1.13 -3.51 116.57 114.34 3k1f h LYS 41 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3k1f h LYS 41 Cb 0.32 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3k1f h LYS 41 CO 0.00 -0.22 0.00 0.41 -0.57 0.00 0.00 179.45 179.07 3k1f n GLY 42 N 0.04 -0.46 0.35 3.86 0.00 -1.13 -4.34 105.19 103.52 3k1f n GLY 42 Ca -0.04 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 43.83 3k1f n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1f n LEU 43 N 0.00 1.75 0.00 0.99 4.32 -1.26 -4.49 117.00 118.31 3k1f n LEU 43 Ca 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 54.96 3k1f n LEU 43 Cb 0.00 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 3k1f n LEU 43 CO 0.00 0.35 -0.00 1.33 -1.22 0.00 0.00 177.39 177.85 3k1f n VAL 44 N 0.48 0.00 0.00 4.08 0.24 -1.26 -4.82 118.33 117.05 3k1f n VAL 44 Ca 0.05 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3k1f n VAL 44 Cb 0.22 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 3k1f n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k1f n SER 45 N -0.86 0.00 -0.27 -1.34 3.41 -1.26 -1.14 113.62 112.16 3k1f n SER 45 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 3k1f n SER 45 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 3k1f n SER 45 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3k1f h GLN 46 N 0.00 -0.03 -0.93 4.33 -0.00 -1.93 0.27 115.11 116.84 3k1f h GLN 46 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 3k1f h GLN 46 Cb 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 27.48 27.43 3k1f h GLN 46 CO 0.00 -0.02 0.61 1.96 -0.00 0.00 0.00 178.83 181.38 3k1f h GLN 47 N -0.03 1.12 0.16 0.06 4.20 -1.53 -1.48 115.11 117.62 3k1f h GLN 47 Ca 0.35 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3k1f h GLN 47 Cb 0.57 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3k1f h GLN 47 CO -0.80 0.74 -0.08 -0.07 -0.67 0.00 0.00 178.83 177.95 3k1f h LEU 48 N 1.15 -0.18 -0.80 1.46 3.38 -0.84 -3.24 115.31 116.25 3k1f h LEU 48 Ca 0.37 -0.29 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3k1f h LEU 48 Cb 0.03 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3k1f h LEU 48 CO -0.12 0.38 0.34 0.44 0.09 0.00 0.00 178.44 179.58 3k1f h ASP 49 N -0.95 0.33 -0.86 -0.43 3.32 -0.96 -0.53 116.42 116.35 3k1f h ASP 49 Ca -0.02 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3k1f h ASP 49 Cb 0.46 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3k1f h ASP 49 CO 0.04 0.11 0.43 0.28 -1.72 0.00 0.00 179.24 178.37 3k1f h SER 50 N 0.47 1.11 -0.29 6.45 0.02 -1.40 -0.24 113.55 119.67 3k1f h SER 50 Ca 0.45 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 3k1f h SER 50 Cb 0.70 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3k1f h SER 50 CO -0.42 0.92 -0.07 0.15 -1.14 0.00 0.00 176.83 176.27 3k1f h PHE 51 N 1.21 0.63 -0.74 3.45 3.57 -1.34 -2.90 116.94 120.81 3k1f h PHE 51 Ca 0.30 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3k1f h PHE 51 Cb 0.09 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3k1f h PHE 51 CO 0.01 0.76 0.49 -0.91 -2.23 0.00 0.00 178.31 176.42 3k1f h ASN 52 N 0.32 0.83 -0.77 0.41 2.35 -0.86 -1.76 115.58 116.10 3k1f h ASN 52 Ca 0.07 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3k1f h ASN 52 Cb 0.55 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 3k1f h ASN 52 CO 0.03 0.59 0.51 -0.61 -1.65 0.00 0.00 177.43 176.30 3k1f h GLN 53 N 0.98 1.01 0.09 0.81 5.75 -1.01 -0.05 115.11 122.69 3k1f h GLN 53 Ca 0.28 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3k1f h GLN 53 Cb -0.07 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.25 3k1f h GLN 53 CO -0.08 0.67 -0.04 0.35 -2.65 0.00 0.00 178.83 177.07 3k1f h PHE 54 N 1.04 -0.12 0.54 3.99 3.57 -1.22 -1.65 116.94 123.09 3k1f h PHE 54 Ca 0.28 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3k1f h PHE 54 Cb -0.11 0.04 0.01 0.00 2.79 0.00 0.00 35.95 38.67 3k1f h PHE 54 CO -0.00 0.27 -0.26 0.28 -2.23 0.00 0.00 178.31 176.37 3k1f h VAL 55 N -0.53 0.44 -0.11 1.41 2.07 -1.08 0.15 116.25 118.61 3k1f h VAL 55 Ca -0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3k1f h VAL 55 Cb 0.43 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3k1f h VAL 55 CO 0.02 0.03 -0.12 0.44 0.02 0.00 0.00 177.57 177.95 3k1f h ASP 56 N -0.83 0.16 0.00 0.57 5.19 -1.13 -3.40 116.42 116.99 3k1f h ASP 56 Ca -0.07 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3k1f h ASP 56 Cb 0.60 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3k1f h ASP 56 CO 0.12 0.31 0.00 -1.22 -3.12 0.00 0.00 179.24 175.33 3k1f n TYR 57 N -4.30 0.00 -0.49 4.55 4.02 -0.62 -4.88 117.16 115.43 3k1f n TYR 57 Ca -0.01 0.00 0.38 0.00 -0.01 0.00 0.00 57.90 58.26 3k1f n TYR 57 Cb 0.25 0.00 0.61 0.00 -0.02 0.00 0.00 39.34 40.18 3k1f n TYR 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3k1f n THR 58 N 0.00 -0.08 -0.32 -0.72 -2.24 -1.17 -0.81 114.28 108.94 3k1f n THR 58 Ca 0.00 1.29 -0.00 0.00 -2.27 0.00 0.00 64.05 63.07 3k1f n THR 58 Cb 0.00 -2.14 0.12 0.00 -2.10 0.00 0.00 70.33 66.22 3k1f n THR 58 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3k1f h LEU 59 N 0.00 0.91 -0.32 3.22 5.85 -1.17 -0.47 115.31 123.33 3k1f h LEU 59 Ca 0.73 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 59.26 3k1f h LEU 59 Cb 2.71 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 43.55 3k1f h LEU 59 CO -0.16 0.61 -0.65 -0.61 -0.34 0.00 0.00 178.44 177.29 3k1f h GLN 60 N 1.06 0.70 -0.61 1.25 5.75 -1.23 -3.24 115.11 118.79 3k1f h GLN 60 Ca 0.36 -0.50 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 3k1f h GLN 60 Cb 0.07 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 3k1f h GLN 60 CO -0.14 1.12 0.35 -0.44 -2.65 0.00 0.00 178.83 177.07 3k1f h ASP 61 N 0.51 0.74 -0.71 -0.69 3.45 -1.40 -2.82 116.42 115.50 3k1f h ASP 61 Ca -0.02 -0.08 0.02 0.00 0.43 0.00 0.00 57.03 57.39 3k1f h ASP 61 Cb 1.25 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.79 3k1f h ASP 61 CO 0.13 0.61 0.45 0.40 -1.57 0.00 0.00 179.24 179.26 3k1f h ILE 62 N 0.82 1.13 -0.21 0.35 2.04 -1.16 -2.90 117.51 117.57 3k1f h ILE 62 Ca 0.22 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 3k1f h ILE 62 Cb 0.01 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3k1f h ILE 62 CO -0.04 0.16 -0.26 0.40 0.00 0.00 0.00 178.15 178.41 3k1f h ILE 63 N 0.90 1.26 -2.27 -0.67 5.03 -1.54 -3.36 117.51 116.86 3k1f h ILE 63 Ca 0.27 -1.25 -0.62 0.00 -0.12 0.00 0.00 64.86 63.15 3k1f h ILE 63 Cb -0.03 1.39 -0.41 0.00 -3.03 0.00 0.00 36.82 34.75 3k1f h ILE 63 CO -0.09 0.39 -0.45 0.00 -0.68 0.00 0.00 178.15 177.32 3k1f n GLU 65 N 0.66 5.01 -0.33 0.00 0.28 -1.23 -4.81 120.64 120.22 3k1f n GLU 65 Ca 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 3k1f n GLU 65 Cb 0.40 -0.42 0.00 0.00 1.43 0.00 0.00 31.44 32.85 3k1f n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3k1f n ASP 66 N -0.00 0.00 -0.36 -1.84 5.75 -1.26 -4.99 116.55 113.85 3k1f n ASP 66 Ca 0.00 -1.51 0.06 0.00 -0.01 0.00 0.00 54.79 53.32 3k1f n ASP 66 Cb 0.00 -0.10 0.14 0.00 -1.03 0.00 0.00 41.12 40.12 3k1f n ASP 66 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3k1f h SER 67 N 0.00 -0.95 -4.10 -1.12 4.64 -1.88 -3.42 113.55 106.72 3k1f h SER 67 Ca 0.00 0.30 -0.48 0.00 -0.47 0.00 0.00 61.79 61.15 3k1f h SER 67 Cb 1.21 0.63 0.03 0.00 -0.31 0.00 0.00 62.40 63.95 3k1f h SER 67 CO 0.00 -0.33 0.38 0.42 -0.87 0.00 0.00 176.83 176.44 3k1f s THR 68 N -6.25 3.79 0.03 2.95 -4.23 -1.26 -3.65 115.64 107.02 3k1f s THR 68 Ca -0.15 1.06 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3k1f s THR 68 Cb 0.27 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 3k1f s THR 68 CO 0.78 -0.30 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.75 3k1f s LEU 69 N -3.69 2.23 0.00 4.79 1.43 -1.26 -5.00 118.68 117.17 3k1f s LEU 69 Ca 0.67 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3k1f s LEU 69 Cb -0.16 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 3k1f s LEU 69 CO 0.23 -0.23 0.69 -0.38 0.23 0.00 0.00 176.35 176.90 3k1f n ILE 70 N 1.67 0.21 -0.58 -0.59 -0.00 -1.26 -4.89 119.36 113.92 3k1f n ILE 70 Ca -0.22 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 3k1f n ILE 70 Cb 0.55 -1.51 0.00 0.00 -0.00 0.00 0.00 39.64 38.69 3k1f n ILE 70 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3k1f n ILE 90 N 2.90 -2.90 -4.02 1.39 -0.00 -1.26 -5.22 119.36 110.25 3k1f n ILE 90 Ca 0.03 0.73 -0.04 0.00 -0.00 0.00 0.00 62.75 63.47 3k1f n ILE 90 Cb 0.06 -1.95 -0.01 0.00 -0.00 0.00 0.00 39.64 37.74 3k1f n ILE 90 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3k1f n SER 91 N -0.06 -0.14 -4.71 4.38 3.41 -0.59 -4.58 113.62 111.33 3k1f n SER 91 Ca 0.00 -1.40 -0.23 0.00 -0.26 0.00 0.00 58.87 56.98 3k1f n SER 91 Cb 0.00 0.32 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 3k1f n SER 91 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3k1f n PHE 92 N -0.12 -1.08 -0.70 7.33 3.01 -1.24 -1.13 117.46 123.54 3k1f n PHE 92 Ca 0.01 -2.15 0.00 0.00 1.01 0.00 0.00 57.45 56.32 3k1f n PHE 92 Cb 0.11 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 3k1f n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k1f n GLY 93 N -1.39 4.75 3.73 1.37 0.00 0.02 -4.67 105.19 109.00 3k1f n GLY 93 Ca 0.03 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3k1f n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k1f s LYS 94 N 3.68 4.30 0.23 1.61 2.20 -1.26 -4.36 119.74 126.14 3k1f s LYS 94 Ca 0.00 2.19 -0.14 0.00 -0.36 0.00 0.00 55.97 57.65 3k1f s LYS 94 Cb 0.00 -3.18 -0.08 0.00 -1.51 0.00 0.00 37.83 33.06 3k1f s LYS 94 CO 0.00 -0.42 0.64 -1.50 -0.36 0.00 0.00 175.35 173.71 3k1f s ILE 95 N 0.53 4.77 -0.05 5.43 2.07 -1.26 -1.33 121.20 131.36 3k1f s ILE 95 Ca 0.62 0.87 -0.02 0.00 -1.41 0.00 0.00 60.65 60.70 3k1f s ILE 95 Cb -0.39 -3.70 0.03 0.00 0.13 0.00 0.00 42.46 38.53 3k1f s ILE 95 CO 0.36 0.04 0.07 -0.31 -1.91 0.00 0.00 174.94 173.19 3k1f s TYR 96 N -1.71 0.05 -0.24 3.50 1.51 0.07 -4.96 117.35 115.57 3k1f s TYR 96 Ca 0.46 0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 56.65 3k1f s TYR 96 Cb -0.13 -0.47 -0.05 0.00 -0.11 0.00 0.00 41.96 41.20 3k1f s TYR 96 CO 0.19 -0.22 0.24 0.54 -1.11 0.00 0.00 175.55 175.19 3k1f s VAL 97 N 2.18 5.30 0.88 0.71 0.11 -1.26 -0.82 120.40 127.51 3k1f s VAL 97 Ca 0.05 0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 59.32 3k1f s VAL 97 Cb -0.12 -3.57 0.17 0.00 -1.53 0.00 0.00 36.38 31.33 3k1f s VAL 97 CO -0.04 0.30 1.22 0.42 -3.33 0.00 0.00 175.10 173.67 3k1f s THR 98 N 1.25 2.04 0.42 5.04 -4.23 -0.11 -5.00 115.64 115.05 3k1f s THR 98 Ca 0.11 -0.17 -0.22 0.00 -1.18 0.00 0.00 61.69 60.24 3k1f s THR 98 Cb -0.14 -2.88 -0.11 0.00 1.34 0.00 0.00 72.50 70.71 3k1f s THR 98 CO 0.06 0.00 0.96 -0.54 -0.54 0.00 0.00 174.62 174.56 3k1f s LYS 99 N -5.66 4.22 -0.68 3.99 -0.14 -1.26 -4.57 119.74 115.65 3k1f s LYS 99 Ca 0.71 1.17 -0.26 0.00 -1.36 0.00 0.00 55.97 56.24 3k1f s LYS 99 Cb -0.05 -2.24 -0.13 0.00 -1.68 0.00 0.00 37.83 33.73 3k1f s LYS 99 CO 0.50 -0.04 2.45 -2.30 -0.76 0.00 0.00 175.35 175.21 3k1f n PRO 100 N -0.53 0.68 -3.98 -1.68 -0.02 -1.26 -4.53 135.00 123.67 3k1f n PRO 100 Ca 0.07 -0.17 -0.19 0.00 -2.02 0.00 0.00 63.50 61.19 3k1f n PRO 100 Cb 0.53 -2.97 -0.16 0.00 -0.02 0.00 0.00 33.50 30.87 3k1f n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3k1f s MET 101 N 8.47 0.50 -0.05 -0.52 -1.94 -0.31 -3.44 119.30 122.00 3k1f s MET 101 Ca 1.06 0.03 0.04 0.00 -1.71 0.00 0.00 55.69 55.11 3k1f s MET 101 Cb -0.41 -0.65 -0.03 0.00 2.01 0.00 0.00 34.83 35.75 3k1f s MET 101 CO 0.29 -0.14 -0.14 0.54 -0.01 0.00 0.00 175.02 175.56 3k1f s VAL 102 N 1.11 3.05 -0.09 -6.03 0.11 -0.69 -4.54 120.40 113.32 3k1f s VAL 102 Ca -0.08 -0.73 -0.10 0.00 -2.93 0.00 0.00 61.98 58.14 3k1f s VAL 102 Cb -0.14 -2.19 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 3k1f s VAL 102 CO -0.01 0.59 0.23 0.21 -3.33 0.00 0.00 175.10 172.79 3k1f s ASN 103 N -0.70 6.52 0.27 3.54 3.84 -1.26 -0.86 114.94 126.29 3k1f s ASN 103 Ca 0.11 0.62 0.03 0.00 0.21 0.00 0.00 52.86 53.83 3k1f s ASN 103 Cb -0.11 -2.13 -0.06 0.00 -0.55 0.00 0.00 41.25 38.40 3k1f s ASN 103 CO 0.01 0.36 0.05 -1.83 -2.79 0.00 0.00 177.10 172.89 3k1f s GLU 104 N -0.91 1.47 0.54 0.43 4.04 -1.25 -4.89 118.70 118.14 3k1f s GLU 104 Ca 0.18 -1.79 -0.22 0.00 0.04 0.00 0.00 54.97 53.18 3k1f s GLU 104 Cb -0.14 -0.59 -0.05 0.00 0.02 0.00 0.00 34.13 33.37 3k1f s GLU 104 CO 0.07 -0.19 1.35 -1.13 -1.84 0.00 0.00 175.26 173.51 3k1f n SER 105 N -0.53 2.65 -3.81 0.83 3.41 -1.17 -3.37 113.62 111.62 3k1f n SER 105 Ca -0.02 0.98 -0.25 0.00 -0.26 0.00 0.00 58.87 59.32 3k1f n SER 105 Cb 0.66 -1.57 0.02 0.00 -0.26 0.00 0.00 64.21 63.06 3k1f n SER 105 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k1f n ASP 106 N -0.95 -2.28 0.00 4.04 8.00 -1.26 -4.90 116.55 119.20 3k1f n ASP 106 Ca 0.10 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.77 3k1f n ASP 106 Cb 0.44 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 3k1f n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1f n GLY 107 N -1.66 0.45 0.76 0.44 0.00 -1.22 -5.18 105.19 98.79 3k1f n GLY 107 Ca -0.18 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 3k1f n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k1f n VAL 108 N -0.08 0.00 -2.32 1.61 0.24 -1.26 -4.53 118.33 111.99 3k1f n VAL 108 Ca 0.00 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.58 3k1f n VAL 108 Cb 0.00 -1.41 -0.02 0.00 -1.47 0.00 0.00 33.84 30.94 3k1f n VAL 108 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3k1f s THR 109 N -0.65 3.93 0.33 3.34 2.01 -1.26 -3.92 115.64 119.41 3k1f s THR 109 Ca 0.13 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 62.89 3k1f s THR 109 Cb -0.01 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 3k1f s THR 109 CO 0.09 -0.59 0.90 -2.28 -0.69 0.00 0.00 174.62 172.04 3k1f s HIS 110 N 5.16 3.59 -1.07 4.92 5.04 -0.04 -4.88 115.29 128.01 3k1f s HIS 110 Ca 0.62 1.65 -0.23 0.00 -1.54 0.00 0.00 55.06 55.56 3k1f s HIS 110 Cb -0.16 -2.84 -0.05 0.00 0.04 0.00 0.00 32.58 29.57 3k1f s HIS 110 CO 0.29 0.16 1.89 0.00 -2.34 0.00 0.00 174.74 174.74 3k1f s ALA 111 N -1.73 1.94 -0.19 1.58 0.00 -1.26 -1.70 121.76 120.39 3k1f s ALA 111 Ca 0.52 -1.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 3k1f s ALA 111 Cb -0.16 -4.61 -0.00 0.00 0.00 0.00 0.00 23.12 18.35 3k1f s ALA 111 CO 0.21 -4.79 1.12 -1.17 0.00 0.00 0.00 175.76 171.13 3k1f s LEU 112 N 9.63 4.15 0.32 0.00 2.96 -1.22 -4.97 118.68 129.55 3k1f s LEU 112 Ca 0.66 1.52 0.08 0.00 -0.22 0.00 0.00 54.13 56.17 3k1f s LEU 112 Cb -0.03 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 3k1f s LEU 112 CO 0.05 -0.67 0.18 -0.31 -1.32 0.00 0.00 176.35 174.28 3k1f s TYR 113 N 3.12 2.81 0.15 5.38 1.51 -1.26 -4.58 117.35 124.48 3k1f s TYR 113 Ca 0.48 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 56.03 3k1f s TYR 113 Cb -0.18 -1.61 0.04 0.00 -0.11 0.00 0.00 41.96 40.10 3k1f s TYR 113 CO 0.11 0.34 1.65 -1.00 -1.11 0.00 0.00 175.55 175.54 3k1f h PRO 114 N 1.49 -0.15 0.00 -1.71 0.13 -1.97 -1.53 132.00 128.26 3k1f h PRO 114 Ca -0.45 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.72 3k1f h PRO 114 Cb 1.25 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3k1f h PRO 114 CO 0.61 -0.10 -0.24 0.37 -0.23 0.00 0.00 178.00 178.40 3k1f h GLN 115 N -0.16 -0.37 -0.42 0.86 5.75 -1.96 -0.83 115.11 117.98 3k1f h GLN 115 Ca 0.14 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 3k1f h GLN 115 Cb 0.38 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 3k1f h GLN 115 CO -0.36 -0.24 0.25 1.49 -2.65 0.00 0.00 178.83 177.32 3k1f h GLU 116 N -0.38 0.49 -0.75 1.69 4.81 -1.94 -1.22 114.58 117.29 3k1f h GLU 116 Ca 0.06 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3k1f h GLU 116 Cb 0.46 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3k1f h GLU 116 CO -0.22 0.33 0.50 0.00 -0.73 0.00 0.00 179.01 178.89 3k1f h ALA 117 N 1.18 1.48 0.17 2.92 0.00 -1.00 -0.90 119.26 123.11 3k1f h ALA 117 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k1f h ALA 117 Cb -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3k1f h ALA 117 CO -0.07 0.48 -0.08 0.00 0.00 0.00 0.00 179.25 179.58 3k1f h ARG 118 N 1.00 -0.22 -0.53 0.00 3.08 -0.48 -0.50 114.38 116.73 3k1f h ARG 118 Ca 0.28 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.41 3k1f h ARG 118 Cb -0.09 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 3k1f h ARG 118 CO -0.06 -0.15 0.20 -0.07 -1.07 0.00 0.00 179.97 178.82 3k1f h LEU 119 N -0.29 0.21 0.00 3.04 3.38 -1.26 -1.96 115.31 118.43 3k1f h LEU 119 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k1f h LEU 119 Cb 0.18 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3k1f h LEU 119 CO 0.04 0.14 0.00 0.54 0.09 0.00 0.00 178.44 179.25 3k1f n ARG 120 N -4.99 0.67 -3.54 1.13 1.74 -0.34 -4.92 116.66 106.40 3k1f n ARG 120 Ca 0.06 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.91 3k1f n ARG 120 Cb 0.21 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.20 3k1f n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k1f n ASN 121 N -1.08 -5.09 -4.29 0.55 5.03 -0.74 -4.78 115.26 104.87 3k1f n ASN 121 Ca 0.17 -0.89 -0.23 0.00 0.87 0.00 0.00 54.58 54.50 3k1f n ASN 121 Cb 0.12 -4.09 -0.12 0.00 -1.02 0.00 0.00 39.78 34.67 3k1f n ASN 121 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k1f s LEU 122 N -6.15 2.32 -0.01 3.41 1.43 -0.21 -4.33 118.68 115.14 3k1f s LEU 122 Ca 0.39 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3k1f s LEU 122 Cb -0.11 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 3k1f s LEU 122 CO 0.81 0.04 1.11 -0.89 0.23 0.00 0.00 176.35 177.65 3k1f s THR 123 N -1.31 4.44 -1.06 5.49 2.01 -1.26 -2.78 115.64 121.16 3k1f s THR 123 Ca 0.08 1.75 -0.23 0.00 0.31 0.00 0.00 61.69 63.60 3k1f s THR 123 Cb -0.09 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 3k1f s THR 123 CO 0.05 0.09 1.77 -0.47 -0.69 0.00 0.00 174.62 175.36 3k1f s TYR 124 N 1.43 2.20 0.10 4.92 5.04 0.55 -4.90 117.35 126.69 3k1f s TYR 124 Ca 0.55 -0.19 0.10 0.00 -2.44 0.00 0.00 57.07 55.09 3k1f s TYR 124 Cb -0.24 -4.33 -0.04 0.00 0.35 0.00 0.00 41.96 37.69 3k1f s TYR 124 CO 0.26 -1.69 -0.24 -1.54 -1.34 0.00 0.00 175.55 170.99 3k1f s SER 125 N 6.23 3.47 -0.02 4.32 1.04 -1.26 -2.51 113.70 124.98 3k1f s SER 125 Ca 0.60 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.41 3k1f s SER 125 Cb -0.02 -0.35 -0.00 0.00 0.10 0.00 0.00 66.02 65.76 3k1f s SER 125 CO 0.01 0.20 -0.09 -0.94 0.98 0.00 0.00 173.24 173.40 3k1f s SER 126 N -1.88 1.12 0.68 7.02 1.04 -0.85 -1.16 113.70 119.67 3k1f s SER 126 Ca 0.15 -0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.23 3k1f s SER 126 Cb -0.10 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.81 3k1f s SER 126 CO 0.06 0.09 1.26 -0.83 0.98 0.00 0.00 173.24 174.80 3k1f s GLY 127 N -0.01 2.68 -0.18 7.32 0.00 -1.26 -1.06 107.32 114.81 3k1f s GLY 127 Ca 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 44.72 45.82 3k1f s GLY 127 CO -0.00 1.52 -0.04 1.08 0.00 0.00 0.00 173.10 175.66 3k1f s LEU 128 N -4.64 1.70 -0.26 0.66 1.02 -1.07 -0.94 118.68 115.16 3k1f s LEU 128 Ca 0.80 -0.76 -0.01 0.00 0.02 0.00 0.00 54.13 54.18 3k1f s LEU 128 Cb -0.35 -0.91 0.03 0.00 0.02 0.00 0.00 46.19 44.99 3k1f s LEU 128 CO 0.41 -0.21 -0.05 -0.36 0.02 0.00 0.00 176.35 176.17 3k1f s PHE 129 N 1.63 3.13 -0.14 0.29 2.99 0.00 -1.18 117.98 124.69 3k1f s PHE 129 Ca -0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 56.93 55.18 3k1f s PHE 129 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 43.02 40.76 3k1f s PHE 129 CO -0.07 -0.76 0.08 0.08 -0.00 0.00 0.00 175.22 174.54 3k1f s VAL 130 N 1.29 4.93 -1.17 -0.44 1.01 -0.29 -0.75 120.40 124.98 3k1f s VAL 130 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 3k1f s VAL 130 Cb -0.18 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3k1f s VAL 130 CO -0.04 0.54 1.85 -1.81 0.00 0.00 0.00 175.10 175.64 3k1f s ASP 131 N -0.30 5.62 -0.10 3.32 1.01 -0.44 -2.48 116.67 123.30 3k1f s ASP 131 Ca 0.09 -1.74 -0.30 0.00 0.71 0.00 0.00 52.55 51.31 3k1f s ASP 131 Cb -0.12 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 3k1f s ASP 131 CO 0.01 -2.43 1.28 -0.69 0.21 0.00 0.00 175.17 173.56 3k1f s VAL 132 N 8.70 4.16 0.00 -1.27 1.01 -1.26 -0.80 120.40 130.95 3k1f s VAL 132 Ca 0.63 1.45 0.03 0.00 0.00 0.00 0.00 61.98 64.09 3k1f s VAL 132 Cb -0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3k1f s VAL 132 CO 0.09 -0.07 -0.05 -0.54 0.00 0.00 0.00 175.10 174.53 3k1f s LYS 133 N 2.95 2.61 0.00 2.72 1.02 -0.28 -4.90 119.74 123.86 3k1f s LYS 133 Ca 0.57 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.87 3k1f s LYS 133 Cb -0.25 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3k1f s LYS 133 CO 0.19 0.61 0.00 0.36 -0.92 0.00 0.00 175.35 175.59 3k1f n LYS 134 N 1.50 1.23 0.00 1.68 0.00 -1.26 -1.53 118.16 119.77 3k1f n LYS 134 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 3k1f n LYS 134 Cb 0.53 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.62 3k1f n LYS 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3k1f n LYS 164 N -1.39 0.00 -4.61 -1.58 4.81 -1.26 -4.70 118.16 109.44 3k1f n LYS 164 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 3k1f n LYS 164 Cb 0.07 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.96 3k1f n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3k1f s VAL 165 N -0.49 1.14 -0.07 3.15 1.01 -1.03 -4.95 120.40 119.15 3k1f s VAL 165 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3k1f s VAL 165 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3k1f s VAL 165 CO 0.00 0.35 0.79 0.12 0.00 0.00 0.00 175.10 176.36 3k1f s PHE 166 N 0.38 3.56 -0.32 5.22 5.36 -1.26 -1.14 117.98 129.78 3k1f s PHE 166 Ca -0.09 1.35 -0.02 0.00 -0.96 0.00 0.00 56.93 57.22 3k1f s PHE 166 Cb -0.13 -2.93 0.12 0.00 -0.34 0.00 0.00 43.02 39.75 3k1f s PHE 166 CO 0.03 -0.01 0.17 0.42 -1.46 0.00 0.00 175.22 174.37 3k1f s ILE 167 N 1.16 0.03 0.22 3.12 1.09 -0.33 -4.86 121.20 121.64 3k1f s ILE 167 Ca 0.41 -1.26 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 3k1f s ILE 167 Cb -0.18 -1.05 0.00 0.00 -1.06 0.00 0.00 42.46 40.17 3k1f s ILE 167 CO 0.19 -0.87 0.00 0.61 -0.10 0.00 0.00 174.94 174.78 3k1f n GLY 168 N 4.61 -2.53 3.35 6.18 0.00 -1.20 -4.58 105.19 111.02 3k1f n GLY 168 Ca 0.04 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3k1f n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1f s ARG 169 N -2.94 2.91 -0.11 1.61 0.52 -1.26 -2.59 118.95 117.08 3k1f s ARG 169 Ca 0.00 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 3k1f s ARG 169 Cb 0.00 -2.40 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 3k1f s ARG 169 CO 0.00 0.35 0.01 -1.17 0.02 0.00 0.00 175.30 174.52 3k1f s LEU 170 N -0.05 3.62 0.34 2.53 0.20 -0.22 -4.16 118.68 120.94 3k1f s LEU 170 Ca -0.05 0.12 -0.27 0.00 0.69 0.00 0.00 54.13 54.62 3k1f s LEU 170 Cb -0.14 -1.85 -0.09 0.00 -0.43 0.00 0.00 46.19 43.67 3k1f s LEU 170 CO 0.04 0.32 1.11 -2.16 -0.29 0.00 0.00 176.35 175.37 3k1f s PRO 171 N -0.52 4.39 -0.07 0.98 0.04 -1.26 -2.01 135.00 136.54 3k1f s PRO 171 Ca 0.09 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.90 3k1f s PRO 171 Cb -0.12 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 3k1f s PRO 171 CO 0.02 0.00 -0.14 0.42 0.04 0.00 0.00 177.00 177.34 3k1f s ILE 172 N -1.34 3.01 0.17 0.56 1.09 -1.04 -4.98 121.20 118.67 3k1f s ILE 172 Ca 0.51 -0.72 -0.30 0.00 -1.10 0.00 0.00 60.65 59.03 3k1f s ILE 172 Cb -0.29 -2.20 -0.07 0.00 -1.06 0.00 0.00 42.46 38.83 3k1f s ILE 172 CO 0.37 0.57 1.05 -0.32 -0.10 0.00 0.00 174.94 176.51 3k1f s MET 173 N -0.39 4.65 0.37 2.79 -2.45 -1.26 -4.45 119.30 118.56 3k1f s MET 173 Ca 0.04 1.63 -0.27 0.00 -1.25 0.00 0.00 55.69 55.84 3k1f s MET 173 Cb -0.12 -3.30 -0.09 0.00 1.25 0.00 0.00 34.83 32.57 3k1f s MET 173 CO 0.02 0.16 1.22 -0.51 1.05 0.00 0.00 175.02 176.96 3k1f s LEU 174 N -0.40 4.29 0.00 4.11 1.02 -0.18 -3.23 118.68 124.30 3k1f s LEU 174 Ca 0.48 2.48 0.00 0.00 0.02 0.00 0.00 54.13 57.10 3k1f s LEU 174 Cb -0.27 -3.87 0.00 0.00 0.02 0.00 0.00 46.19 42.07 3k1f s LEU 174 CO 0.33 -0.61 0.00 0.54 0.02 0.00 0.00 176.35 176.63 3k1f n ARG 175 N 0.38 -0.04 -1.08 1.70 1.74 -1.26 -2.13 116.66 115.97 3k1f n ARG 175 Ca 0.03 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 3k1f n ARG 175 Cb 0.45 -3.32 0.25 0.00 -1.02 0.00 0.00 32.46 28.82 3k1f n ARG 175 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k1f s SER 176 N -2.57 0.61 0.49 0.55 1.04 -1.20 -4.20 113.70 108.42 3k1f s SER 176 Ca 0.00 0.50 0.23 0.00 0.48 0.00 0.00 55.95 57.16 3k1f s SER 176 Cb 0.00 -0.65 1.29 0.00 0.10 0.00 0.00 66.02 66.76 3k1f s SER 176 CO 0.00 -4.30 1.95 0.11 0.98 0.00 0.00 173.24 171.97 3k1f h LYS 177 N -2.71 0.15 0.06 4.02 1.57 -1.93 -2.97 116.57 114.77 3k1f h LYS 177 Ca -0.43 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 57.99 3k1f h LYS 177 Cb 1.28 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 3k1f h LYS 177 CO 0.29 0.10 -2.08 -1.71 -0.57 0.00 0.00 179.45 175.48 3k1f n ASN 178 N -4.40 1.65 -4.67 0.86 5.15 -1.26 -4.93 115.26 107.66 3k1f n ASN 178 Ca 0.13 0.16 -0.42 0.00 -0.60 0.00 0.00 54.58 53.85 3k1f n ASN 178 Cb 0.65 -0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 39.44 3k1f n ASN 178 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k1f n TYR 180 N 6.37 0.81 -0.19 0.00 4.02 -1.26 -1.37 117.16 125.53 3k1f n TYR 180 Ca 0.16 1.07 0.30 0.00 -0.01 0.00 0.00 57.90 59.42 3k1f n TYR 180 Cb 0.43 -1.32 0.70 0.00 -0.02 0.00 0.00 39.34 39.13 3k1f n TYR 180 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3k1f h LEU 181 N 0.00 0.00 -0.66 7.72 3.38 -1.91 -1.66 115.31 122.18 3k1f h LEU 181 Ca 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.61 3k1f h LEU 181 Cb 1.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 3k1f h LEU 181 CO -0.77 0.00 0.34 0.77 0.09 0.00 0.00 178.44 178.88 3k1f h SER 182 N 0.00 0.84 -0.83 -0.43 4.64 -1.39 -3.07 113.55 113.31 3k1f h SER 182 Ca 0.45 -0.11 -0.44 0.00 -0.47 0.00 0.00 61.79 61.23 3k1f h SER 182 Cb 2.06 -0.22 -0.16 0.00 -0.31 0.00 0.00 62.40 63.77 3k1f h SER 182 CO -0.00 0.72 0.40 -0.62 -0.87 0.00 0.00 176.83 176.45 3k1f n GLU 183 N -4.50 2.19 -4.30 4.77 4.71 -0.63 -4.92 120.64 117.96 3k1f n GLU 183 Ca 0.05 -2.07 -0.18 0.00 -0.01 0.00 0.00 57.16 54.95 3k1f n GLU 183 Cb 0.11 -1.95 -0.15 0.00 -1.01 0.00 0.00 31.44 28.44 3k1f n GLU 183 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k1f s ALA 184 N -1.77 0.66 0.65 0.62 0.00 -1.16 -5.11 121.76 115.66 3k1f s ALA 184 Ca 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 3k1f s ALA 184 Cb 0.34 -0.19 0.11 0.00 0.00 0.00 0.00 23.12 23.37 3k1f s ALA 184 CO -0.13 0.15 0.73 0.25 0.00 0.00 0.00 175.76 176.76 3k1f n THR 185 N 2.98 0.00 0.17 0.00 -2.24 -1.26 -4.85 114.28 109.08 3k1f n THR 185 Ca -0.14 -1.12 -0.08 0.00 -2.27 0.00 0.00 64.05 60.43 3k1f n THR 185 Cb 0.57 -1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 67.71 3k1f n THR 185 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3k1f h GLU 186 N 0.00 -0.48 0.00 -0.78 4.57 -1.99 -0.09 114.58 115.81 3k1f h GLU 186 Ca -0.24 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3k1f h GLU 186 Cb 0.88 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3k1f h GLU 186 CO 0.26 -0.32 -0.05 0.66 -1.18 0.00 0.00 179.01 178.38 3k1f h SER 187 N -0.49 0.00 -0.28 1.04 4.64 -1.99 -1.37 113.55 115.11 3k1f h SER 187 Ca -0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3k1f h SER 187 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3k1f h SER 187 CO 0.02 0.05 -0.15 -0.78 -0.87 0.00 0.00 176.83 175.10 3k1f h ASP 188 N 0.00 0.61 -0.14 4.97 1.82 -1.90 -1.32 116.42 120.46 3k1f h ASP 188 Ca -0.00 -0.42 -0.02 0.00 -0.39 0.00 0.00 57.03 56.20 3k1f h ASP 188 Cb 0.13 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 3k1f h ASP 188 CO 0.01 0.89 0.00 -0.07 -1.61 0.00 0.00 179.24 178.46 3k1f h LEU 189 N 0.33 0.24 -0.98 2.28 3.38 0.02 -0.98 115.31 119.60 3k1f h LEU 189 Ca 0.06 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3k1f h LEU 189 Cb 0.67 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3k1f h LEU 189 CO 0.04 0.49 0.64 1.88 0.09 0.00 0.00 178.44 181.58 3k1f h TYR 190 N -0.02 1.20 -0.09 1.13 -1.99 -1.34 -1.03 116.97 114.83 3k1f h TYR 190 Ca 0.04 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 3k1f h TYR 190 Cb 0.36 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 3k1f h TYR 190 CO 0.03 0.70 -0.24 -0.22 -0.00 0.00 0.00 178.16 178.43 3k1f h LYS 191 N 1.25 0.16 0.00 4.88 1.63 -1.08 -2.39 116.57 121.02 3k1f h LYS 191 Ca 0.39 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 3k1f h LYS 191 Cb -0.02 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3k1f h LYS 191 CO -0.12 0.39 0.00 1.28 -3.45 0.00 0.00 179.45 177.56 3k1f n LEU 192 N -4.20 0.00 0.00 5.20 4.77 -0.39 -4.87 117.00 117.51 3k1f n LEU 192 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3k1f n LEU 192 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3k1f n LEU 192 CO 0.39 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.74 3k1f n LYS 193 N -0.58 0.00 -3.25 3.23 4.01 -0.90 -4.80 118.16 115.88 3k1f n LYS 193 Ca 0.04 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.47 3k1f n LYS 193 Cb 0.02 -4.24 -0.06 0.00 -0.51 0.00 0.00 35.03 30.23 3k1f n LYS 193 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3k1f s GLU 194 N -0.82 4.14 0.18 1.97 0.41 -1.03 -4.90 118.70 118.66 3k1f s GLU 194 Ca 0.00 0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 54.95 3k1f s GLU 194 Cb 0.00 -3.01 -0.08 0.00 -1.78 0.00 0.00 34.13 29.25 3k1f s GLU 194 CO 0.00 0.50 1.32 0.00 -0.49 0.00 0.00 175.26 176.59 3k1f h PRO 196 N 5.70 0.00 0.00 0.00 0.13 -1.91 -2.44 132.00 133.47 3k1f h PRO 196 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3k1f h PRO 196 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3k1f h PRO 196 CO 0.79 0.00 -0.39 0.74 -0.23 0.00 0.00 178.00 178.91 3k1f h PHE 197 N 0.00 0.00 -2.19 1.56 -1.00 -1.99 -3.44 116.94 109.88 3k1f h PHE 197 Ca 0.00 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.26 3k1f h PHE 197 Cb 0.44 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.96 3k1f h PHE 197 CO 0.00 0.00 1.30 0.34 -1.61 0.00 0.00 178.31 178.34 3k1f s ASP 198 N -4.73 5.49 0.58 2.17 2.15 -0.92 -4.86 116.67 116.54 3k1f s ASP 198 Ca 0.07 0.45 0.37 0.00 0.43 0.00 0.00 52.55 53.86 3k1f s ASP 198 Cb 0.11 -2.53 1.66 0.00 -0.30 0.00 0.00 42.92 41.86 3k1f s ASP 198 CO 0.68 -2.19 2.09 0.00 -0.17 0.00 0.00 175.17 175.59 3k1f h MET 199 N 14.05 0.00 0.00 4.34 -0.00 -1.88 -3.48 114.93 127.96 3k1f h MET 199 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 3k1f h MET 199 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.75 3k1f h MET 199 CO 1.19 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 178.51 3k1f n GLY 200 N -0.29 -0.71 1.47 -3.00 0.00 -1.26 -4.84 105.19 96.57 3k1f n GLY 200 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3k1f n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1f n GLY 201 N 0.00 0.62 3.31 -0.02 0.00 -0.90 -4.94 105.19 103.25 3k1f n GLY 201 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 3k1f n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k1f s TYR 202 N -2.00 1.47 0.15 1.61 -0.85 -1.26 -4.68 117.35 111.78 3k1f s TYR 202 Ca 0.00 -0.96 0.07 0.00 -0.52 0.00 0.00 57.07 55.66 3k1f s TYR 202 Cb 0.00 -0.85 -0.04 0.00 0.38 0.00 0.00 41.96 41.45 3k1f s TYR 202 CO 0.00 -0.09 -0.03 -0.06 -1.52 0.00 0.00 175.55 173.84 3k1f s PHE 203 N -3.49 2.82 -0.43 -3.49 0.40 -0.33 -1.01 117.98 112.45 3k1f s PHE 203 Ca 0.28 -0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.45 3k1f s PHE 203 Cb 0.06 -1.41 0.12 0.00 0.51 0.00 0.00 43.02 42.30 3k1f s PHE 203 CO 0.08 0.49 0.22 0.42 0.70 0.00 0.00 175.22 177.13 3k1f s ILE 204 N -1.55 3.23 -0.30 0.64 1.01 -1.26 -0.96 121.20 122.01 3k1f s ILE 204 Ca 0.26 -2.22 -0.05 0.00 0.00 0.00 0.00 60.65 58.63 3k1f s ILE 204 Cb -0.10 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3k1f s ILE 204 CO 0.17 -0.71 0.06 -0.63 0.00 0.00 0.00 174.94 173.83 3k1f s ILE 205 N 0.94 3.63 -1.52 2.92 1.09 -0.79 -0.33 121.20 127.13 3k1f s ILE 205 Ca 0.10 -0.98 -0.10 0.00 -1.10 0.00 0.00 60.65 58.56 3k1f s ILE 205 Cb -0.22 -2.96 0.08 0.00 -1.06 0.00 0.00 42.46 38.30 3k1f s ILE 205 CO -0.04 -0.02 0.77 0.59 -0.10 0.00 0.00 174.94 176.14 3k1f n ASN 206 N 4.79 -2.94 0.00 3.58 3.02 -1.23 -1.93 115.26 120.55 3k1f n ASN 206 Ca -0.14 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3k1f n ASN 206 Cb 0.46 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 3k1f n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k1f n GLY 207 N -1.66 2.77 3.77 7.41 0.00 -1.12 -4.28 105.19 112.09 3k1f n GLY 207 Ca -0.07 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3k1f n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1f s SER 208 N 0.55 6.78 -0.52 1.61 1.04 -0.81 -4.60 113.70 117.74 3k1f s SER 208 Ca 0.00 2.22 -0.19 0.00 0.48 0.00 0.00 55.95 58.46 3k1f s SER 208 Cb 0.00 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.58 3k1f s SER 208 CO 0.00 -0.48 0.62 -1.61 0.98 0.00 0.00 173.24 172.75 3k1f s GLU 209 N -2.17 3.09 -0.14 4.02 2.02 -1.26 -1.89 118.70 122.37 3k1f s GLU 209 Ca 0.54 -1.05 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 3k1f s GLU 209 Cb -0.28 -4.14 -0.03 0.00 0.10 0.00 0.00 34.13 29.78 3k1f s GLU 209 CO 0.35 -1.28 -0.03 0.15 0.02 0.00 0.00 175.26 174.47 3k1f s LYS 210 N 2.53 3.51 -0.13 1.61 -0.14 -0.13 -1.19 119.74 125.80 3k1f s LYS 210 Ca 0.13 -0.50 -0.02 0.00 -1.36 0.00 0.00 55.97 54.22 3k1f s LYS 210 Cb -0.21 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 3k1f s LYS 210 CO 0.10 0.34 -0.05 0.08 -0.76 0.00 0.00 175.35 175.06 3k1f s VAL 211 N 0.08 3.81 -0.21 3.17 1.01 0.05 -1.19 120.40 127.13 3k1f s VAL 211 Ca -0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 3k1f s VAL 211 Cb -0.13 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3k1f s VAL 211 CO 0.03 0.53 0.78 -0.76 0.00 0.00 0.00 175.10 175.68 3k1f s LEU 212 N -0.03 4.12 -0.43 3.92 1.43 -1.26 -1.34 118.68 125.08 3k1f s LEU 212 Ca 0.01 1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 3k1f s LEU 212 Cb -0.13 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.98 3k1f s LEU 212 CO 0.03 -0.43 0.47 -0.63 0.23 0.00 0.00 176.35 176.02 3k1f s ILE 213 N 2.45 5.05 0.16 -0.59 -1.09 -1.26 -4.86 121.20 121.06 3k1f s ILE 213 Ca 0.34 -0.34 -0.32 0.00 -2.23 0.00 0.00 60.65 58.11 3k1f s ILE 213 Cb -0.16 -4.08 -0.17 0.00 -1.58 0.00 0.00 42.46 36.47 3k1f s ILE 213 CO 0.09 -0.48 0.85 0.00 -1.23 0.00 0.00 174.94 174.18 3k1f n ALA 214 N 5.70 -2.27 -2.61 9.38 0.00 -1.23 -4.54 120.51 124.94 3k1f n ALA 214 Ca -0.07 0.48 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 3k1f n ALA 214 Cb 0.47 -1.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.05 3k1f n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3k1f s GLN 215 N -0.68 4.04 -0.46 0.00 -1.52 -0.37 -1.16 119.66 119.51 3k1f s GLN 215 Ca 0.72 0.09 -0.29 0.00 -1.95 0.00 0.00 55.36 53.93 3k1f s GLN 215 Cb -0.96 -3.64 0.02 0.00 -0.22 0.00 0.00 33.01 28.21 3k1f s GLN 215 CO 0.56 -0.26 1.27 -2.00 -0.25 0.00 0.00 175.29 174.61 3k1f s GLU 216 N 2.00 3.63 0.36 2.91 2.12 -0.55 -1.15 118.70 128.03 3k1f s GLU 216 Ca 0.16 0.70 0.08 0.00 0.36 0.00 0.00 54.97 56.27 3k1f s GLU 216 Cb -0.16 -3.97 -0.07 0.00 0.26 0.00 0.00 34.13 30.19 3k1f s GLU 216 CO 0.09 -1.50 -0.04 -0.98 -0.54 0.00 0.00 175.26 172.29 3k1f s ARG 217 N 4.73 1.85 0.45 4.30 1.70 0.14 -4.52 118.95 127.60 3k1f s ARG 217 Ca 0.54 -1.99 -0.08 0.00 -0.47 0.00 0.00 55.73 53.72 3k1f s ARG 217 Cb -0.10 -1.60 -0.05 0.00 -0.57 0.00 0.00 34.95 32.63 3k1f s ARG 217 CO 0.32 0.04 0.79 -1.12 -1.08 0.00 0.00 175.30 174.26 3k1f s SER 218 N -3.63 6.38 0.40 -2.89 0.01 -1.26 -0.48 113.70 112.22 3k1f s SER 218 Ca 0.33 1.06 -0.26 0.00 1.31 0.00 0.00 55.95 58.39 3k1f s SER 218 Cb 0.06 -2.30 -0.09 0.00 0.21 0.00 0.00 66.02 63.90 3k1f s SER 218 CO 0.17 -0.51 1.27 0.00 0.41 0.00 0.00 173.24 174.58 3k1f s ALA 219 N -2.60 3.26 0.50 1.44 0.00 -0.21 -4.59 121.76 119.57 3k1f s ALA 219 Ca 0.50 1.18 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 3k1f s ALA 219 Cb -0.10 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3k1f s ALA 219 CO 0.39 -0.74 0.86 0.20 0.00 0.00 0.00 175.76 176.47 3k1f s GLY 220 N -0.79 1.67 -0.89 0.00 0.00 -1.26 -4.20 107.32 101.85 3k1f s GLY 220 Ca 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3k1f s GLY 220 CO 0.47 -0.08 0.00 0.70 0.00 0.00 0.00 173.10 174.19 3k1f n ASN 221 N -2.13 -3.81 -4.77 1.64 3.02 0.10 -4.85 115.26 104.46 3k1f n ASN 221 Ca 0.03 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.39 3k1f n ASN 221 Cb 0.54 -3.05 -0.06 0.00 -0.61 0.00 0.00 39.78 36.61 3k1f n ASN 221 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3k1f s ILE 222 N -1.58 4.38 -0.47 2.41 1.10 -1.26 -4.41 121.20 121.37 3k1f s ILE 222 Ca 0.00 1.74 -0.23 0.00 -0.51 0.00 0.00 60.65 61.65 3k1f s ILE 222 Cb 0.00 -4.16 0.03 0.00 0.15 0.00 0.00 42.46 38.48 3k1f s ILE 222 CO 0.00 0.50 0.80 0.68 -2.11 0.00 0.00 174.94 174.81 3k1f s VAL 223 N -1.02 4.62 -0.09 4.00 -7.23 -1.26 -3.97 120.40 115.45 3k1f s VAL 223 Ca 0.37 0.34 -0.00 0.00 -1.81 0.00 0.00 61.98 60.87 3k1f s VAL 223 Cb -0.23 -4.36 0.02 0.00 0.56 0.00 0.00 36.38 32.37 3k1f s VAL 223 CO 0.27 -0.79 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.11 3k1f s GLN 224 N 3.36 1.20 -0.19 4.82 -0.21 -0.48 -5.03 119.66 123.14 3k1f s GLN 224 Ca 0.29 -0.14 -0.07 0.00 0.02 0.00 0.00 55.36 55.46 3k1f s GLN 224 Cb -0.13 -1.33 -0.04 0.00 1.00 0.00 0.00 33.01 32.52 3k1f s GLN 224 CO 0.21 -0.25 0.06 0.14 -2.12 0.00 0.00 175.29 173.34 3k1f s VAL 225 N 1.66 4.77 0.03 1.09 -7.23 -1.26 -0.58 120.40 118.89 3k1f s VAL 225 Ca 0.03 -0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.24 3k1f s VAL 225 Cb -0.13 -3.15 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 3k1f s VAL 225 CO -0.06 0.45 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.59 3k1f s PHE 226 N 0.43 2.04 -0.64 2.82 2.99 0.04 -1.32 117.98 124.34 3k1f s PHE 226 Ca 0.03 -0.39 -0.27 0.00 0.00 0.00 0.00 56.93 56.30 3k1f s PHE 226 Cb -0.12 -1.24 0.03 0.00 0.00 0.00 0.00 43.02 41.69 3k1f s PHE 226 CO 0.00 0.07 1.19 0.15 -0.00 0.00 0.00 175.22 176.64 3k1f s LYS 227 N -1.05 3.36 0.34 0.44 1.02 -1.26 -1.24 119.74 121.35 3k1f s LYS 227 Ca 0.09 -0.02 -0.26 0.00 0.02 0.00 0.00 55.97 55.79 3k1f s LYS 227 Cb -0.09 -4.09 -0.09 0.00 -0.52 0.00 0.00 37.83 33.04 3k1f s LYS 227 CO 0.01 -1.84 1.03 0.21 -0.92 0.00 0.00 175.35 173.85 3k1f s LYS 228 N 5.10 4.43 0.38 1.68 2.36 -0.19 -4.99 119.74 128.50 3k1f s LYS 228 Ca 0.38 1.55 -0.25 0.00 -2.55 0.00 0.00 55.97 55.11 3k1f s LYS 228 Cb -0.09 -2.83 -0.12 0.00 -1.05 0.00 0.00 37.83 33.74 3k1f s LYS 228 CO 0.20 0.09 0.85 0.00 1.55 0.00 0.00 175.35 178.04 3k1f n ALA 229 N 0.52 -0.58 -0.36 3.13 0.00 -1.26 -4.72 120.51 117.24 3k1f n ALA 229 Ca 0.02 0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.76 3k1f n ALA 229 Cb 0.48 -1.95 0.21 0.00 0.00 0.00 0.00 19.45 18.19 3k1f n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f h ALA 230 N 1.38 1.46 -0.03 0.00 0.00 -1.95 -2.85 119.26 117.28 3k1f h ALA 230 Ca -0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3k1f h ALA 230 Cb 1.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3k1f h ALA 230 CO 0.56 0.35 -0.12 -1.00 0.00 0.00 0.00 179.25 179.03 3k1f h PRO 231 N 1.09 0.05 -6.69 0.00 0.13 -1.95 -3.43 132.00 121.20 3k1f h PRO 231 Ca 0.46 -0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 65.06 3k1f h PRO 231 Cb 0.30 -0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.46 3k1f h PRO 231 CO -0.21 0.17 0.62 0.45 -0.23 0.00 0.00 178.00 178.80 3k1f s SER 232 N -6.99 6.95 0.00 1.44 0.15 -1.08 -4.93 113.70 109.25 3k1f s SER 232 Ca -0.04 2.37 0.10 0.00 0.70 0.00 0.00 55.95 59.07 3k1f s SER 232 Cb 0.16 -2.61 0.61 0.00 -1.71 0.00 0.00 66.02 62.47 3k1f s SER 232 CO 0.70 -0.47 1.10 -0.81 1.20 0.00 0.00 173.24 174.96 3k1f n PRO 233 N 2.43 0.60 -3.70 5.44 -0.04 -1.26 -4.62 135.00 133.85 3k1f n PRO 233 Ca 0.05 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 3k1f n PRO 233 Cb 0.43 -1.27 -0.11 0.00 -0.04 0.00 0.00 33.50 32.52 3k1f n PRO 233 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k1f s ILE 234 N -2.00 5.06 -0.10 0.52 1.09 -1.26 -1.23 121.20 123.28 3k1f s ILE 234 Ca 0.15 0.08 -0.22 0.00 -1.10 0.00 0.00 60.65 59.57 3k1f s ILE 234 Cb 0.07 -3.37 -0.18 0.00 -1.06 0.00 0.00 42.46 37.92 3k1f s ILE 234 CO 0.12 0.33 0.72 -1.28 -0.10 0.00 0.00 174.94 174.73 3k1f h SER 235 N 7.83 -0.05 -4.75 3.58 0.87 -1.63 -3.42 113.55 115.98 3k1f h SER 235 Ca -0.37 -0.60 -0.26 0.00 -1.23 0.00 0.00 61.79 59.34 3k1f h SER 235 Cb 1.18 0.01 -0.22 0.00 -0.44 0.00 0.00 62.40 62.93 3k1f h SER 235 CO 0.61 0.68 -0.73 -1.00 -0.53 0.00 0.00 176.83 175.87 3k1f s HIS 236 N -2.66 0.58 -0.05 2.24 3.76 -1.26 -1.02 115.29 116.88 3k1f s HIS 236 Ca -0.14 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 3k1f s HIS 236 Cb -0.01 -0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.33 3k1f s HIS 236 CO 0.51 -0.10 -0.11 0.08 -0.85 0.00 0.00 174.74 174.27 3k1f s VAL 237 N -1.32 0.99 -0.27 -0.90 1.01 -0.37 -2.51 120.40 117.02 3k1f s VAL 237 Ca -0.10 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3k1f s VAL 237 Cb -0.10 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3k1f s VAL 237 CO 0.00 0.31 0.20 0.00 0.00 0.00 0.00 175.10 175.61 3k1f s ALA 238 N 0.42 3.55 0.05 5.51 0.00 -0.06 -0.78 121.76 130.46 3k1f s ALA 238 Ca -0.08 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 50.92 3k1f s ALA 238 Cb -0.12 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 3k1f s ALA 238 CO 0.02 -0.49 -0.22 -1.21 0.00 0.00 0.00 175.76 173.86 3k1f s GLU 239 N 1.65 1.42 -0.03 0.00 2.02 0.25 -0.94 118.70 123.08 3k1f s GLU 239 Ca 0.08 -1.01 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 3k1f s GLU 239 Cb -0.16 -1.58 0.03 0.00 0.10 0.00 0.00 34.13 32.52 3k1f s GLU 239 CO 0.10 0.40 0.04 -1.50 0.02 0.00 0.00 175.26 174.32 3k1f s ILE 240 N -0.85 -0.06 -1.16 -1.63 2.07 -1.09 -1.38 121.20 117.10 3k1f s ILE 240 Ca 0.08 0.28 -0.05 0.00 -1.41 0.00 0.00 60.65 59.56 3k1f s ILE 240 Cb -0.09 -0.12 0.24 0.00 0.13 0.00 0.00 42.46 42.62 3k1f s ILE 240 CO 0.02 0.12 1.85 0.54 -1.91 0.00 0.00 174.94 175.56 3k1f n ARG 241 N 4.56 4.56 -2.25 3.50 1.74 -1.25 -1.63 116.66 125.89 3k1f n ARG 241 Ca -0.20 -4.13 -0.41 0.00 -0.77 0.00 0.00 57.85 52.34 3k1f n ARG 241 Cb 0.50 -2.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.29 3k1f n ARG 241 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k1f s SER 242 N -0.65 6.93 0.21 0.55 1.04 -1.09 -0.72 113.70 119.96 3k1f s SER 242 Ca 0.40 2.35 -0.12 0.00 0.48 0.00 0.00 55.95 59.06 3k1f s SER 242 Cb 0.12 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.64 3k1f s SER 242 CO -0.02 -0.51 0.41 0.00 0.98 0.00 0.00 173.24 174.10 3k1f s ALA 243 N 0.23 -0.25 0.39 5.32 0.00 -1.25 -1.13 121.76 125.08 3k1f s ALA 243 Ca 0.57 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3k1f s ALA 243 Cb -0.36 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 3k1f s ALA 243 CO 0.37 -0.76 0.59 -0.51 0.00 0.00 0.00 175.76 175.45 3k1f s LEU 244 N -2.98 3.84 0.00 0.00 1.43 -1.26 -4.46 118.68 115.25 3k1f s LEU 244 Ca 0.18 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3k1f s LEU 244 Cb 0.01 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.11 3k1f s LEU 244 CO 0.03 -0.51 0.00 1.21 0.23 0.00 0.00 176.35 177.31 3k1f n GLU 245 N -1.89 0.00 -2.37 1.70 2.13 -1.26 -4.49 120.64 114.46 3k1f n GLU 245 Ca -0.01 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.40 3k1f n GLU 245 Cb 0.57 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.25 3k1f n GLU 245 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3k1f s LYS 246 N 0.00 3.15 0.00 5.31 3.01 -1.26 -4.65 119.74 125.30 3k1f s LYS 246 Ca 0.00 0.30 0.00 0.00 -1.01 0.00 0.00 55.97 55.26 3k1f s LYS 246 Cb 0.00 -4.19 0.00 0.00 -1.01 0.00 0.00 37.83 32.63 3k1f s LYS 246 CO 0.00 -2.14 0.00 0.41 0.51 0.00 0.00 175.35 174.13 3k1f n GLY 247 N 5.37 0.29 5.00 -3.33 0.00 -1.26 -4.93 105.19 106.33 3k1f n GLY 247 Ca 0.11 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3k1f n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k1f n SER 248 N -0.82 0.00 -3.15 1.61 2.88 -1.26 -4.76 113.62 108.11 3k1f n SER 248 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3k1f n SER 248 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 3k1f n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3k1f n ARG 249 N 0.00 -1.86 -1.69 -1.46 1.74 -1.26 -4.87 116.66 107.25 3k1f n ARG 249 Ca 0.00 1.63 -0.40 0.00 -0.77 0.00 0.00 57.85 58.30 3k1f n ARG 249 Cb 0.00 -4.65 -0.03 0.00 -1.02 0.00 0.00 32.46 26.75 3k1f n ARG 249 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3k1f n PHE 250 N -1.07 2.94 -1.55 -1.55 3.01 -1.26 -4.64 117.46 113.34 3k1f n PHE 250 Ca -0.01 -2.26 -0.39 0.00 1.01 0.00 0.00 57.45 55.79 3k1f n PHE 250 Cb 0.54 -2.26 -0.05 0.00 -0.01 0.00 0.00 39.48 37.71 3k1f n PHE 250 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3k1f n ILE 251 N 6.08 2.12 -4.56 4.37 5.41 -1.25 -3.78 119.36 127.75 3k1f n ILE 251 Ca 0.49 -1.99 -0.34 0.00 1.00 0.00 0.00 62.75 61.92 3k1f n ILE 251 Cb 0.42 -2.30 -0.12 0.00 -0.71 0.00 0.00 39.64 36.92 3k1f n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3k1f s SER 252 N 5.22 4.56 -0.08 4.38 1.04 -0.28 -4.99 113.70 123.55 3k1f s SER 252 Ca 0.59 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 3k1f s SER 252 Cb 0.09 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 3k1f s SER 252 CO 0.10 0.23 0.07 0.42 0.98 0.00 0.00 173.24 175.05 3k1f s THR 253 N -0.00 4.87 -0.14 2.02 -4.23 -1.26 -2.69 115.64 114.21 3k1f s THR 253 Ca -0.01 -0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 3k1f s THR 253 Cb -0.14 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 3k1f s THR 253 CO 0.03 0.57 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.36 3k1f s LEU 254 N -1.10 2.92 -0.15 4.79 2.96 -0.65 -4.91 118.68 122.54 3k1f s LEU 254 Ca 0.16 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3k1f s LEU 254 Cb -0.12 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3k1f s LEU 254 CO 0.05 0.17 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.14 3k1f s GLN 255 N 0.35 3.67 -0.47 1.98 -0.21 -1.25 -2.65 119.66 121.08 3k1f s GLN 255 Ca -0.08 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 54.86 3k1f s GLN 255 Cb -0.15 -2.98 0.13 0.00 1.00 0.00 0.00 33.01 31.02 3k1f s GLN 255 CO 0.05 0.31 0.25 0.08 -2.12 0.00 0.00 175.29 173.86 3k1f s VAL 256 N 0.20 1.79 1.03 1.09 1.01 -0.12 -1.34 120.40 124.06 3k1f s VAL 256 Ca -0.00 -2.82 -0.17 0.00 0.00 0.00 0.00 61.98 58.99 3k1f s VAL 256 Cb -0.13 -2.25 0.22 0.00 0.00 0.00 0.00 36.38 34.22 3k1f s VAL 256 CO 0.02 -0.87 1.24 -0.54 0.00 0.00 0.00 175.10 174.95 3k1f s LYS 257 N 0.12 0.14 -0.42 2.72 1.02 0.08 -0.88 119.74 122.51 3k1f s LYS 257 Ca 0.18 -0.23 0.04 0.00 0.02 0.00 0.00 55.97 55.98 3k1f s LYS 257 Cb -0.24 -1.77 0.17 0.00 -0.52 0.00 0.00 37.83 35.47 3k1f s LYS 257 CO -0.00 -2.78 0.43 -1.17 -0.92 0.00 0.00 175.35 170.90 3k1f s LEU 258 N -6.22 0.43 0.83 3.17 0.20 -1.05 -3.60 118.68 112.44 3k1f s LEU 258 Ca 0.72 -2.41 -0.12 0.00 0.69 0.00 0.00 54.13 53.00 3k1f s LEU 258 Cb -0.07 0.30 0.10 0.00 -0.43 0.00 0.00 46.19 46.09 3k1f s LEU 258 CO 0.54 -0.17 1.18 -0.31 -0.29 0.00 0.00 176.35 177.30 3k1f s TYR 259 N 0.59 1.81 0.00 5.38 1.51 -0.65 -2.22 117.35 123.76 3k1f s TYR 259 Ca 0.28 1.70 0.00 0.00 -1.01 0.00 0.00 57.07 58.04 3k1f s TYR 259 Cb -0.03 -3.42 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 3k1f s TYR 259 CO -0.12 -2.77 0.00 0.41 -1.11 0.00 0.00 175.55 171.97 3k1f n GLY 260 N 0.32 -1.21 3.68 0.71 0.00 -0.37 -3.61 105.19 104.71 3k1f n GLY 260 Ca 0.13 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 3k1f n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1f s ARG 261 N -3.62 0.89 -0.51 1.61 1.81 -1.24 -4.29 118.95 113.61 3k1f s ARG 261 Ca 0.00 0.90 -0.32 0.00 -1.72 0.00 0.00 55.73 54.59 3k1f s ARG 261 Cb 0.00 -1.76 -0.12 0.00 -0.45 0.00 0.00 34.95 32.61 3k1f s ARG 261 CO 0.00 -2.51 2.34 -1.91 -0.68 0.00 0.00 175.30 172.54 3k1f n GLU 262 N -4.08 0.85 0.00 3.54 2.13 -1.26 -2.48 120.64 119.34 3k1f n GLU 262 Ca 0.07 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.05 3k1f n GLU 262 Cb 0.55 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.76 3k1f n GLU 262 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k1f n GLY 263 N 6.42 2.84 3.49 8.31 0.00 -1.26 -5.06 105.19 119.94 3k1f n GLY 263 Ca 0.45 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3k1f n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1f n SER 264 N 1.51 -1.35 -3.84 1.61 3.41 -1.03 -5.06 113.62 108.87 3k1f n SER 264 Ca 0.00 0.01 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 3k1f n SER 264 Cb 0.00 -1.27 0.23 0.00 -0.26 0.00 0.00 64.21 62.91 3k1f n SER 264 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3k1f s SER 265 N -2.36 1.45 -0.94 4.04 0.01 -1.26 -4.72 113.70 109.92 3k1f s SER 265 Ca 0.66 0.47 -0.05 0.00 1.31 0.00 0.00 55.95 58.34 3k1f s SER 265 Cb -0.23 -0.62 -0.06 0.00 0.21 0.00 0.00 66.02 65.32 3k1f s SER 265 CO 0.64 -3.78 0.82 0.00 0.41 0.00 0.00 173.24 171.33 3k1f n ALA 266 N -4.50 -2.30 -1.92 1.44 0.00 -1.26 -4.58 120.51 107.38 3k1f n ALA 266 Ca 0.14 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 3k1f n ALA 266 Cb 0.60 -5.17 -0.01 0.00 0.00 0.00 0.00 19.45 14.87 3k1f n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k1f n ARG 267 N -3.02 4.43 -2.46 0.00 5.12 -1.26 -3.33 116.66 116.14 3k1f n ARG 267 Ca -0.06 -3.31 -0.42 0.00 -1.93 0.00 0.00 57.85 52.13 3k1f n ARG 267 Cb 0.60 -2.62 -0.03 0.00 -1.16 0.00 0.00 32.46 29.26 3k1f n ARG 267 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3k1f s THR 268 N -0.97 4.16 -0.56 0.55 -1.32 -1.24 -4.42 115.64 111.83 3k1f s THR 268 Ca 0.56 1.55 -0.18 0.00 -1.21 0.00 0.00 61.69 62.40 3k1f s THR 268 Cb 0.19 -3.99 0.10 0.00 -1.51 0.00 0.00 72.50 67.29 3k1f s THR 268 CO -0.10 0.11 0.64 -0.63 -2.21 0.00 0.00 174.62 172.43 3k1f s ILE 269 N 1.15 4.93 0.13 5.08 1.09 -1.26 -1.64 121.20 130.68 3k1f s ILE 269 Ca 0.58 -1.04 0.07 0.00 -1.10 0.00 0.00 60.65 59.15 3k1f s ILE 269 Cb -0.28 -4.42 -0.04 0.00 -1.06 0.00 0.00 42.46 36.66 3k1f s ILE 269 CO 0.28 -1.01 -0.05 -0.54 -0.10 0.00 0.00 174.94 173.52 3k1f s LYS 270 N 2.40 2.26 0.03 2.79 1.02 -1.24 -2.00 119.74 125.00 3k1f s LYS 270 Ca 0.10 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 55.05 3k1f s LYS 270 Cb -0.25 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 3k1f s LYS 270 CO 0.06 0.49 -0.07 0.00 -0.92 0.00 0.00 175.35 174.91 3k1f s ALA 271 N -1.45 0.50 -0.22 5.17 0.00 -0.05 -0.75 121.76 124.96 3k1f s ALA 271 Ca 0.24 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 3k1f s ALA 271 Cb -0.10 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3k1f s ALA 271 CO 0.16 -0.00 -0.08 0.99 0.00 0.00 0.00 175.76 176.83 3k1f s THR 272 N -1.09 2.93 0.59 0.00 2.01 -0.45 -1.37 115.64 118.27 3k1f s THR 272 Ca -0.08 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 3k1f s THR 272 Cb -0.08 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.06 3k1f s THR 272 CO 0.00 0.36 0.90 -0.76 -0.69 0.00 0.00 174.62 174.43 3k1f s LEU 273 N 1.38 3.22 0.29 4.42 1.02 -1.26 -3.95 118.68 123.81 3k1f s LEU 273 Ca 0.03 0.70 -0.29 0.00 0.02 0.00 0.00 54.13 54.59 3k1f s LEU 273 Cb -0.15 -3.52 -0.10 0.00 0.02 0.00 0.00 46.19 42.44 3k1f s LEU 273 CO -0.06 -1.08 1.32 -2.16 0.02 0.00 0.00 176.35 174.39 3k1f s PRO 274 N -5.00 4.36 0.00 1.29 0.04 -1.26 -3.19 135.00 131.25 3k1f s PRO 274 Ca 0.54 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3k1f s PRO 274 Cb -0.11 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3k1f s PRO 274 CO 0.45 -0.21 0.00 0.66 0.04 0.00 0.00 177.00 177.94 3k1f n TYR 275 N 1.37 0.00 -3.46 0.56 4.01 -1.26 -4.95 117.16 113.43 3k1f n TYR 275 Ca 0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 3k1f n TYR 275 Cb 0.42 -0.75 -0.09 0.00 -0.31 0.00 0.00 39.34 38.60 3k1f n TYR 275 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3k1f s ILE 276 N -1.80 5.17 0.12 -0.72 1.09 -1.19 -4.77 121.20 119.10 3k1f s ILE 276 Ca 0.00 -0.80 -0.20 0.00 -1.10 0.00 0.00 60.65 58.55 3k1f s ILE 276 Cb 0.00 -3.94 -0.07 0.00 -1.06 0.00 0.00 42.46 37.39 3k1f s ILE 276 CO 0.00 -0.38 1.76 0.07 -0.10 0.00 0.00 174.94 176.29 3k1f h LYS 277 N 8.64 0.28 -7.05 2.79 -0.00 -1.85 -3.39 116.57 115.99 3k1f h LYS 277 Ca -0.27 -0.02 -0.56 0.00 -0.00 0.00 0.00 60.65 59.80 3k1f h LYS 277 Cb 1.12 -0.06 0.15 0.00 -0.00 0.00 0.00 32.23 33.44 3k1f h LYS 277 CO 0.76 0.20 0.53 1.04 -0.00 0.00 0.00 179.45 181.99 3k1f n GLN 278 N -4.93 1.38 -2.95 0.07 6.02 -1.26 -4.96 117.38 110.75 3k1f n GLN 278 Ca -0.03 0.52 -0.43 0.00 -0.01 0.00 0.00 57.00 57.04 3k1f n GLN 278 Cb 0.04 -2.53 -0.04 0.00 1.02 0.00 0.00 30.24 28.73 3k1f n GLN 278 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3k1f s ASP 279 N -1.14 6.20 -0.04 1.08 1.11 -1.26 -4.70 116.67 117.92 3k1f s ASP 279 Ca 0.77 -1.02 -0.30 0.00 0.18 0.00 0.00 52.55 52.18 3k1f s ASP 279 Cb -0.40 -2.38 -0.03 0.00 1.07 0.00 0.00 42.92 41.18 3k1f s ASP 279 CO 0.45 -1.28 1.15 -0.63 1.18 0.00 0.00 175.17 176.03 3k1f s ILE 280 N 3.57 4.37 -0.13 0.77 1.09 -0.47 -4.78 121.20 125.63 3k1f s ILE 280 Ca 0.20 1.69 -0.29 0.00 -1.10 0.00 0.00 60.65 61.14 3k1f s ILE 280 Cb -0.18 -4.09 -0.02 0.00 -1.06 0.00 0.00 42.46 37.11 3k1f s ILE 280 CO 0.10 0.03 1.26 -2.16 -0.10 0.00 0.00 174.94 174.08 3k1f s PRO 281 N 1.89 4.26 0.06 2.79 0.04 -1.26 -0.87 135.00 141.91 3k1f s PRO 281 Ca 0.55 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.31 3k1f s PRO 281 Cb -0.24 -3.72 0.22 0.00 0.04 0.00 0.00 34.50 30.80 3k1f s PRO 281 CO 0.23 -0.65 0.25 0.44 0.04 0.00 0.00 177.00 177.31 3k1f n ILE 282 N 5.19 -0.06 -0.03 0.56 -5.35 -0.85 -0.93 119.36 117.88 3k1f n ILE 282 Ca 0.13 0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.84 3k1f n ILE 282 Cb 0.45 -0.52 -0.03 0.00 -1.74 0.00 0.00 39.64 37.79 3k1f n ILE 282 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3k1f h VAL 283 N 0.00 0.86 -0.79 7.28 2.07 -1.88 -1.05 116.25 122.73 3k1f h VAL 283 Ca 0.14 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 3k1f h VAL 283 Cb 0.37 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3k1f h VAL 283 CO -0.12 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.20 3k1f h ILE 284 N 0.02 1.26 -0.63 4.57 2.04 -1.38 -0.91 117.51 122.48 3k1f h ILE 284 Ca 0.08 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3k1f h ILE 284 Cb 0.11 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3k1f h ILE 284 CO -0.15 0.33 0.39 0.40 0.00 0.00 0.00 178.15 179.12 3k1f h ILE 285 N 1.15 1.18 -0.13 -0.67 2.04 -1.58 0.38 117.51 119.89 3k1f h ILE 285 Ca 0.27 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3k1f h ILE 285 Cb 0.20 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3k1f h ILE 285 CO -0.02 0.18 -0.44 -0.26 0.00 0.00 0.00 178.15 177.61 3k1f h PHE 286 N 0.86 0.36 -0.10 1.37 -1.00 -0.84 -1.69 116.94 115.90 3k1f h PHE 286 Ca 0.23 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 3k1f h PHE 286 Cb -0.05 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 3k1f h PHE 286 CO -0.02 0.69 -0.12 0.00 -1.61 0.00 0.00 178.31 177.25 3k1f h ARG 287 N 0.25 0.26 -0.41 1.51 3.08 -0.70 -2.20 114.38 116.18 3k1f h ARG 287 Ca 0.02 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3k1f h ARG 287 Cb 0.87 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3k1f h ARG 287 CO 0.07 0.70 0.24 0.00 -1.07 0.00 0.00 179.97 179.91 3k1f h ALA 288 N 0.56 1.66 -0.73 0.04 0.00 -0.92 -1.60 119.26 118.27 3k1f h ALA 288 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3k1f h ALA 288 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3k1f h ALA 288 CO 0.03 0.30 0.26 -0.07 0.00 0.00 0.00 179.25 179.77 3k1f h LEU 289 N 0.56 1.01 0.00 0.00 3.38 -1.26 -3.47 115.31 115.53 3k1f h LEU 289 Ca 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k1f h LEU 289 Cb -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3k1f h LEU 289 CO -0.03 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.03 3k1f n GLY 290 N -0.87 1.18 3.53 0.83 0.00 -0.60 -4.90 105.19 104.37 3k1f n GLY 290 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3k1f n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1f s ILE 291 N 0.00 3.95 -0.12 -0.61 1.09 -0.85 -4.88 121.20 119.79 3k1f s ILE 291 Ca 0.00 0.34 0.11 0.00 -1.10 0.00 0.00 60.65 60.00 3k1f s ILE 291 Cb 0.00 -4.81 -0.24 0.00 -1.06 0.00 0.00 42.46 36.36 3k1f s ILE 291 CO 0.00 -1.62 0.38 -0.38 -0.10 0.00 0.00 174.94 173.21 3k1f n ILE 292 N 6.33 1.56 -2.34 2.92 5.41 -1.26 -3.13 119.36 128.85 3k1f n ILE 292 Ca 0.03 -0.78 -0.42 0.00 1.00 0.00 0.00 62.75 62.58 3k1f n ILE 292 Cb 0.48 -0.99 -0.03 0.00 -0.71 0.00 0.00 39.64 38.39 3k1f n ILE 292 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3k1f s PRO 293 N -2.55 4.36 0.00 0.38 0.04 -1.26 -4.91 135.00 131.06 3k1f s PRO 293 Ca -0.11 1.84 0.24 0.00 0.04 0.00 0.00 61.00 63.01 3k1f s PRO 293 Cb 0.07 -3.44 1.30 0.00 0.04 0.00 0.00 34.50 32.47 3k1f s PRO 293 CO 0.80 -0.41 1.78 -0.40 0.04 0.00 0.00 177.00 178.81 3k1f n ASP 294 N 4.62 0.00 0.02 6.66 5.68 -1.26 -0.89 116.55 131.38 3k1f n ASP 294 Ca 0.11 -0.38 -0.08 0.00 -0.50 0.00 0.00 54.79 53.94 3k1f n ASP 294 Cb 0.45 -0.15 -0.13 0.00 -1.14 0.00 0.00 41.12 40.15 3k1f n ASP 294 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3k1f h GLY 295 N 3.81 0.01 0.61 6.12 0.00 -2.00 -3.29 103.07 108.32 3k1f h GLY 295 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 3k1f h GLY 295 CO 0.00 0.02 -1.52 -2.09 0.00 0.00 0.00 176.54 172.95 3k1f h GLU 296 N 0.00 0.27 -0.99 4.80 4.81 -1.82 -3.34 114.58 118.31 3k1f h GLU 296 Ca -0.14 -0.45 0.20 0.00 -0.13 0.00 0.00 59.36 58.84 3k1f h GLU 296 Cb 1.88 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 31.34 3k1f h GLU 296 CO 0.11 1.22 0.62 0.82 -0.73 0.00 0.00 179.01 181.04 3k1f h ILE 297 N -0.22 0.67 0.00 2.32 2.04 -1.16 0.24 117.51 121.40 3k1f h ILE 297 Ca -0.32 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 3k1f h ILE 297 Cb 1.83 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3k1f h ILE 297 CO 0.07 0.12 -0.29 -0.07 0.00 0.00 0.00 178.15 177.98 3k1f h LEU 298 N 0.64 0.00 -1.26 1.44 -0.00 -1.69 -3.09 115.31 111.34 3k1f h LEU 298 Ca 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.42 3k1f h LEU 298 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 3k1f h LEU 298 CO -0.33 0.29 -0.12 -0.33 -0.00 0.00 0.00 178.44 177.95 3k1f h GLU 299 N 0.00 0.00 0.00 1.13 4.39 -0.64 -0.40 114.58 119.06 3k1f h GLU 299 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3k1f h GLU 299 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3k1f h GLU 299 CO 0.04 0.12 -0.67 0.45 -1.16 0.00 0.00 179.01 177.79 3k1f h HIS 300 N 0.00 0.00 0.00 4.33 3.86 -1.55 -3.38 115.15 118.41 3k1f h HIS 300 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3k1f h HIS 300 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 3k1f h HIS 300 CO 0.00 0.67 -0.26 0.82 0.86 0.00 0.00 177.93 180.02 3k1f h ILE 301 N 0.00 0.00 -2.75 2.45 2.04 -1.64 -3.33 117.51 114.29 3k1f h ILE 301 Ca -0.01 -0.56 -0.66 0.00 1.00 0.00 0.00 64.86 64.64 3k1f h ILE 301 Cb 1.39 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3k1f h ILE 301 CO 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 178.15 177.74 3k1f n TYR 303 N 1.48 0.00 -3.64 0.00 4.02 -1.26 -4.11 117.16 113.64 3k1f n TYR 303 Ca -0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.38 3k1f n TYR 303 Cb 0.54 -0.29 -0.07 0.00 -0.02 0.00 0.00 39.34 39.49 3k1f n TYR 303 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3k1f s ASP 304 N -3.62 6.34 -0.41 7.72 2.15 -1.26 -3.58 116.67 124.01 3k1f s ASP 304 Ca -0.03 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.34 3k1f s ASP 304 Cb 0.11 -2.13 0.36 0.00 -0.30 0.00 0.00 42.92 40.96 3k1f s ASP 304 CO 0.70 0.16 1.89 0.52 -0.17 0.00 0.00 175.17 178.28 3k1f n VAL 305 N 3.42 2.92 0.00 1.11 0.31 -1.26 -3.81 118.33 121.02 3k1f n VAL 305 Ca -0.14 -1.89 0.00 0.00 -0.01 0.00 0.00 64.34 62.30 3k1f n VAL 305 Cb 0.52 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 3k1f n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3k1f n ASN 306 N -0.33 0.09 -4.11 4.52 3.02 -1.26 -4.99 115.26 112.21 3k1f n ASN 306 Ca 0.43 -0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.56 3k1f n ASN 306 Cb 0.85 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.05 3k1f n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3k1f n ASP 307 N -0.06 3.62 0.23 6.41 2.03 -1.25 -4.76 116.55 122.76 3k1f n ASP 307 Ca 0.00 -2.79 0.15 0.00 0.52 0.00 0.00 54.79 52.67 3k1f n ASP 307 Cb 0.00 -1.56 0.81 0.00 -0.72 0.00 0.00 41.12 39.65 3k1f n ASP 307 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3k1f h TRP 308 N 7.71 0.00 0.14 -0.67 5.08 -1.94 -1.81 115.95 124.46 3k1f h TRP 308 Ca 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.39 3k1f h TRP 308 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 3k1f h TRP 308 CO 1.34 0.00 -0.07 1.96 -1.28 0.00 0.00 178.44 180.39 3k1f h GLN 309 N 0.00 -0.18 -0.90 0.12 7.50 -1.98 0.03 115.11 119.70 3k1f h GLN 309 Ca 0.00 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.21 3k1f h GLN 309 Cb 0.02 0.04 -0.06 0.00 0.05 0.00 0.00 27.48 27.53 3k1f h GLN 309 CO 0.00 0.27 0.58 1.98 -1.50 0.00 0.00 178.83 180.16 3k1f h MET 310 N -0.86 1.06 -0.39 1.46 4.05 -1.86 -1.21 114.93 117.17 3k1f h MET 310 Ca -0.02 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 3k1f h MET 310 Cb 0.53 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 3k1f h MET 310 CO 0.03 0.70 0.18 -0.07 0.23 0.00 0.00 176.91 177.98 3k1f h LEU 311 N 1.09 0.52 -0.40 3.39 3.38 -1.37 -1.38 115.31 120.55 3k1f h LEU 311 Ca 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3k1f h LEU 311 Cb 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3k1f h LEU 311 CO -0.14 0.51 0.00 1.21 0.09 0.00 0.00 178.44 180.11 3k1f n GLU 312 N -4.69 0.15 -0.01 1.13 4.07 -0.00 -1.54 120.64 119.74 3k1f n GLU 312 Ca -0.00 0.33 -0.14 0.00 -0.06 0.00 0.00 57.16 57.28 3k1f n GLU 312 Cb 0.12 -1.76 -0.14 0.00 -0.06 0.00 0.00 31.44 29.60 3k1f n GLU 312 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3k1f n MET 313 N -2.03 0.69 0.11 5.31 2.81 -0.52 -4.27 117.12 119.21 3k1f n MET 313 Ca 0.03 0.28 -0.01 0.00 -1.81 0.00 0.00 57.70 56.19 3k1f n MET 313 Cb 0.25 -1.75 -0.03 0.00 -0.71 0.00 0.00 33.22 30.98 3k1f n MET 313 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3k1f h LEU 314 N 0.03 0.00 -0.99 4.03 3.38 -1.05 -3.39 115.31 117.32 3k1f h LEU 314 Ca -0.35 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.77 3k1f h LEU 314 Cb 2.03 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.62 3k1f h LEU 314 CO 0.08 0.70 -0.39 1.17 0.09 0.00 0.00 178.44 180.09 3k1f n LYS 315 N -3.26 -0.23 -0.31 1.13 4.81 -0.59 -1.60 118.16 118.11 3k1f n LYS 315 Ca 0.01 1.53 -0.05 0.00 -0.87 0.00 0.00 58.31 58.93 3k1f n LYS 315 Cb 0.82 -2.27 0.08 0.00 0.02 0.00 0.00 35.03 33.68 3k1f n LYS 315 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3k1f h PRO 316 N 0.00 1.22 -0.25 1.64 0.13 -1.84 -1.12 132.00 131.79 3k1f h PRO 316 Ca 0.35 -0.19 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 3k1f h PRO 316 Cb 0.59 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 3k1f h PRO 316 CO -0.99 0.95 -0.49 0.00 -0.23 0.00 0.00 178.00 177.24 3k1f h VAL 318 N 0.54 1.19 -0.08 0.00 2.07 -1.11 -1.19 116.25 117.68 3k1f h VAL 318 Ca 0.02 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 3k1f h VAL 318 Cb 1.05 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3k1f h VAL 318 CO 0.10 0.21 -0.30 -0.33 0.02 0.00 0.00 177.57 177.27 3k1f h GLU 319 N 0.68 0.15 -0.14 1.57 5.08 -1.12 -2.69 114.58 118.12 3k1f h GLU 319 Ca 0.18 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3k1f h GLU 319 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3k1f h GLU 319 CO -0.02 0.45 -0.48 0.22 -1.00 0.00 0.00 179.01 178.17 3k1f h ASP 320 N 0.14 0.38 0.41 1.42 3.58 -0.61 -3.28 116.42 118.45 3k1f h ASP 320 Ca 0.02 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.25 3k1f h ASP 320 Cb 0.61 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3k1f h ASP 320 CO 0.04 0.80 -0.20 1.23 -2.88 0.00 0.00 179.24 178.24 3k1f h GLY 321 N 1.23 0.00 -1.08 -0.78 0.00 -0.88 -3.36 103.07 98.20 3k1f h GLY 321 Ca 0.02 0.00 0.39 0.00 0.00 0.00 0.00 47.33 47.73 3k1f h GLY 321 CO 0.08 0.00 0.68 0.33 0.00 0.00 0.00 176.54 177.63 3k1f n PHE 322 N -3.81 0.66 0.23 5.60 7.35 -1.24 -1.43 117.46 124.83 3k1f n PHE 322 Ca -0.02 0.67 0.13 0.00 -0.76 0.00 0.00 57.45 57.47 3k1f n PHE 322 Cb 0.30 -1.08 0.54 0.00 0.35 0.00 0.00 39.48 39.58 3k1f n PHE 322 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3k1f h VAL 323 N 0.00 0.06 -3.55 -2.13 2.07 -1.87 -3.37 116.25 107.47 3k1f h VAL 323 Ca 0.73 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.72 3k1f h VAL 323 Cb 2.26 0.40 -0.33 0.00 -1.52 0.00 0.00 31.29 32.10 3k1f h VAL 323 CO -0.44 0.00 -0.82 -0.63 0.02 0.00 0.00 177.57 175.70 3k1f s ILE 324 N -4.19 1.21 -0.03 4.57 1.01 -0.52 -5.02 121.20 118.23 3k1f s ILE 324 Ca -0.02 -0.54 0.22 0.00 0.00 0.00 0.00 60.65 60.31 3k1f s ILE 324 Cb 0.08 -1.08 0.40 0.00 0.01 0.00 0.00 42.46 41.87 3k1f s ILE 324 CO 0.27 0.37 1.17 1.67 0.00 0.00 0.00 174.94 178.41 3k1f n GLN 325 N 3.62 0.22 -3.51 2.79 -0.06 -1.26 -5.01 117.38 114.16 3k1f n GLN 325 Ca -0.21 -2.11 -0.13 0.00 -2.00 0.00 0.00 57.00 52.54 3k1f n GLN 325 Cb 0.52 -0.25 -0.04 0.00 -4.06 0.00 0.00 30.24 26.41 3k1f n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3k1f s ASP 326 N -2.11 -0.52 0.43 1.69 -4.77 -1.26 -5.05 116.67 105.08 3k1f s ASP 326 Ca 0.32 0.39 0.30 0.00 -3.30 0.00 0.00 52.55 50.26 3k1f s ASP 326 Cb 0.36 0.46 1.38 0.00 -1.09 0.00 0.00 42.92 44.03 3k1f s ASP 326 CO -0.14 -0.60 1.90 -0.09 0.70 0.00 0.00 175.17 176.93 3k1f h ARG 327 N 2.54 0.00 0.15 2.11 2.43 -1.95 -2.04 114.38 117.61 3k1f h ARG 327 Ca -0.25 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3k1f h ARG 327 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3k1f h ARG 327 CO 0.35 0.00 -0.07 1.49 -1.51 0.00 0.00 179.97 180.23 3k1f h GLU 328 N 0.00 -0.19 -0.14 0.20 4.22 -1.97 -2.99 114.58 113.72 3k1f h GLU 328 Ca 0.00 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.38 3k1f h GLU 328 Cb 0.30 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3k1f h GLU 328 CO 0.00 0.17 -0.23 1.15 -2.18 0.00 0.00 179.01 177.92 3k1f h THR 329 N -0.97 1.23 -0.08 0.32 2.02 -1.97 -0.32 112.91 113.14 3k1f h THR 329 Ca -0.02 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 3k1f h THR 329 Cb 0.44 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3k1f h THR 329 CO 0.03 0.32 0.02 0.00 0.37 0.00 0.00 175.52 176.27 3k1f h ALA 330 N 1.55 0.10 0.00 6.16 0.00 -1.49 -1.14 119.26 124.44 3k1f h ALA 330 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3k1f h ALA 330 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3k1f h ALA 330 CO 0.04 -0.28 -0.45 -0.07 0.00 0.00 0.00 179.25 178.48 3k1f h LEU 331 N -0.07 0.00 -0.28 0.00 4.07 -1.42 -3.13 115.31 114.47 3k1f h LEU 331 Ca 0.02 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.79 3k1f h LEU 331 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3k1f h LEU 331 CO -0.00 0.45 -0.61 -0.78 -1.08 0.00 0.00 178.44 176.42 3k1f h ASP 332 N 0.00 0.93 0.09 -0.43 3.58 -0.88 -2.87 116.42 116.84 3k1f h ASP 332 Ca -0.00 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.91 3k1f h ASP 332 Cb 0.83 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.61 3k1f h ASP 332 CO 0.06 1.33 0.00 0.15 -2.88 0.00 0.00 179.24 177.90 3k1f h PHE 333 N 0.61 0.00 -3.45 0.28 3.57 -1.15 -3.40 116.94 113.40 3k1f h PHE 333 Ca -0.00 0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.90 3k1f h PHE 333 Cb 1.22 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.86 3k1f h PHE 333 CO 0.07 0.00 0.04 0.42 -2.23 0.00 0.00 178.31 176.62 3k1f s ILE 334 N -3.84 5.06 0.00 1.41 1.01 -1.08 -4.73 121.20 119.03 3k1f s ILE 334 Ca -0.03 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3k1f s ILE 334 Cb 0.10 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3k1f s ILE 334 CO 0.33 0.13 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3k1f n GLY 335 N 3.90 0.00 2.72 6.18 0.00 -1.26 -4.49 105.19 112.25 3k1f n GLY 335 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3k1f n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1f n ARG 336 N 0.00 3.53 -3.74 1.61 3.00 -1.26 -5.02 116.66 114.78 3k1f n ARG 336 Ca 0.00 -4.51 -0.22 0.00 -0.01 0.00 0.00 57.85 53.11 3k1f n ARG 336 Cb 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 32.46 30.17 3k1f n ARG 336 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3k1f s LYS 345 N -3.70 3.45 0.00 5.56 2.20 -1.26 -4.11 119.74 121.87 3k1f s LYS 345 Ca 0.48 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3k1f s LYS 345 Cb 0.34 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 3k1f s LYS 345 CO -0.20 0.32 0.00 0.39 -0.36 0.00 0.00 175.35 175.50 3k1f n GLU 346 N -1.56 0.00 -0.10 4.03 -0.58 -1.26 -4.34 120.64 116.83 3k1f n GLU 346 Ca -0.07 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.53 3k1f n GLU 346 Cb 0.57 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.40 3k1f n GLU 346 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 3k1f h LYS 347 N 0.00 0.84 0.00 3.49 -0.00 -2.01 -3.22 116.57 115.67 3k1f h LYS 347 Ca 0.00 -0.45 -0.05 0.00 -0.00 0.00 0.00 60.65 60.14 3k1f h LYS 347 Cb 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 32.24 3k1f h LYS 347 CO 0.00 1.09 -0.25 0.07 -0.00 0.00 0.00 179.45 180.36 3k1f h ARG 348 N 0.62 0.00 -0.07 0.07 0.11 -1.88 -0.66 114.38 112.57 3k1f h ARG 348 Ca 0.05 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.95 3k1f h ARG 348 Cb 0.95 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 3k1f h ARG 348 CO 0.09 0.25 -0.72 0.82 0.10 0.00 0.00 179.97 180.51 3k1f h ILE 349 N 0.00 1.39 -0.01 0.08 2.04 -1.77 -1.26 117.51 117.98 3k1f h ILE 349 Ca -0.00 -2.14 -0.07 0.00 1.00 0.00 0.00 64.86 63.65 3k1f h ILE 349 Cb 0.65 2.11 0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3k1f h ILE 349 CO 0.03 0.64 -0.26 -0.61 0.00 0.00 0.00 178.15 177.96 3k1f h GLN 350 N 0.26 0.19 -0.98 2.37 5.75 -1.50 -3.06 115.11 118.14 3k1f h GLN 350 Ca -0.03 -0.19 0.21 0.00 -0.15 0.00 0.00 58.65 58.49 3k1f h GLN 350 Cb 1.29 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 29.78 3k1f h GLN 350 CO 0.12 0.91 0.57 -0.92 -2.65 0.00 0.00 178.83 176.86 3k1f h TYR 351 N -0.46 0.99 0.30 3.99 3.20 -1.13 -1.14 116.97 122.72 3k1f h TYR 351 Ca -0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3k1f h TYR 351 Cb 1.00 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3k1f h TYR 351 CO 0.17 0.15 -0.14 0.00 -1.64 0.00 0.00 178.16 176.70 3k1f h ALA 352 N 1.67 -0.40 -0.46 1.82 0.00 -1.28 -0.24 119.26 120.37 3k1f h ALA 352 Ca 0.59 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.48 3k1f h ALA 352 Cb 1.00 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3k1f h ALA 352 CO -0.42 -0.63 0.33 -0.22 0.00 0.00 0.00 179.25 178.31 3k1f h LYS 353 N -0.60 0.00 0.00 0.00 3.64 -1.23 -1.55 116.57 116.83 3k1f h LYS 353 Ca -0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3k1f h LYS 353 Cb 0.43 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3k1f h LYS 353 CO 0.07 0.00 -0.22 -0.44 -2.27 0.00 0.00 179.45 176.59 3k1f h ASP 354 N 0.00 0.00 -0.67 4.20 3.32 -1.11 -3.25 116.42 118.91 3k1f h ASP 354 Ca 0.22 -0.44 0.15 0.00 0.02 0.00 0.00 57.03 56.97 3k1f h ASP 354 Cb 0.89 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 3k1f h ASP 354 CO -0.00 0.84 0.46 -0.29 -1.72 0.00 0.00 179.24 178.53 3k1f h ILE 355 N -1.00 0.79 0.02 0.35 2.10 -0.76 -1.09 117.51 117.91 3k1f h ILE 355 Ca -0.04 -0.10 -0.08 0.00 1.08 0.00 0.00 64.86 65.71 3k1f h ILE 355 Cb 0.60 0.47 0.01 0.00 -1.09 0.00 0.00 36.82 36.81 3k1f h ILE 355 CO -0.03 0.05 -0.34 -0.07 -1.08 0.00 0.00 178.15 176.68 3k1f h LEU 356 N 0.29 0.27 -0.77 2.19 3.38 -1.46 -0.26 115.31 118.94 3k1f h LEU 356 Ca 0.33 -0.83 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 3k1f h LEU 356 Cb 0.87 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3k1f h LEU 356 CO -0.08 1.07 -0.50 1.56 0.09 0.00 0.00 178.44 180.58 3k1f h GLN 357 N -0.50 0.00 0.00 1.13 4.20 -1.49 -3.30 115.11 115.15 3k1f h GLN 357 Ca -0.05 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 3k1f h GLN 357 Cb 1.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 3k1f h GLN 357 CO 0.07 0.50 -1.37 1.63 -0.67 0.00 0.00 178.83 178.99 3k1f n LYS 358 N -3.60 0.30 0.00 1.46 5.02 -0.45 -3.96 118.16 116.93 3k1f n LYS 358 Ca -0.00 0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 3k1f n LYS 358 Cb 0.58 -1.01 -0.13 0.00 -0.02 0.00 0.00 35.03 34.45 3k1f n LYS 358 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3k1f h GLU 359 N -0.53 0.22 -6.36 1.97 4.39 -1.66 -3.42 114.58 109.20 3k1f h GLU 359 Ca -0.24 -0.32 -0.54 0.00 0.34 0.00 0.00 59.36 58.59 3k1f h GLU 359 Cb 1.05 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3k1f h GLU 359 CO -0.15 1.11 1.00 0.12 -1.16 0.00 0.00 179.01 179.93 3k1f s PHE 360 N -2.62 2.34 -0.69 4.33 5.36 -0.13 -3.66 117.98 122.92 3k1f s PHE 360 Ca -0.15 0.38 -0.05 0.00 -0.96 0.00 0.00 56.93 56.14 3k1f s PHE 360 Cb 0.00 -3.88 0.01 0.00 -0.34 0.00 0.00 43.02 38.81 3k1f s PHE 360 CO 0.78 -3.55 0.66 1.28 -1.46 0.00 0.00 175.22 172.93 3k1f n LEU 361 N 6.15 -5.78 0.01 6.12 4.32 -1.26 -4.76 117.00 121.80 3k1f n LEU 361 Ca 0.16 -0.15 0.04 0.00 -0.02 0.00 0.00 56.01 56.04 3k1f n LEU 361 Cb 0.42 -2.90 0.43 0.00 -1.62 0.00 0.00 43.42 39.75 3k1f n LEU 361 CO 0.62 -0.98 1.16 1.55 -1.22 0.00 0.00 177.39 178.52 3k1f h PRO 362 N 0.68 0.52 -7.44 3.23 0.13 -1.79 -3.40 132.00 123.92 3k1f h PRO 362 Ca -0.16 -0.03 -0.44 0.00 -0.87 0.00 0.00 66.00 64.50 3k1f h PRO 362 Cb 1.10 -0.12 0.16 0.00 0.13 0.00 0.00 31.00 32.28 3k1f h PRO 362 CO 0.29 0.34 0.22 -3.38 -0.23 0.00 0.00 178.00 175.24 3k1f s HIS 363 N -5.48 1.60 0.00 1.56 -3.43 -1.26 -4.00 115.29 104.29 3k1f s HIS 363 Ca -0.08 0.72 0.00 0.00 -0.80 0.00 0.00 55.06 54.90 3k1f s HIS 363 Cb 0.17 -3.44 0.00 0.00 -1.43 0.00 0.00 32.58 27.89 3k1f s HIS 363 CO 0.73 -3.10 0.00 -0.89 -2.00 0.00 0.00 174.74 169.48 3k1f n ILE 364 N -4.25 0.00 -3.46 -5.38 5.41 -1.26 -4.72 119.36 105.69 3k1f n ILE 364 Ca 0.09 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.73 3k1f n ILE 364 Cb 0.59 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.49 3k1f n ILE 364 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3k1f s THR 365 N 0.00 0.00 0.00 1.39 -1.32 -1.26 -5.03 115.64 109.43 3k1f s THR 365 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3k1f s THR 365 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3k1f s THR 365 CO 0.00 0.00 0.37 0.00 -2.21 0.00 0.00 174.62 172.78 3k1f n GLN 366 N -0.26 0.18 0.00 7.08 6.02 -1.26 -4.52 117.38 124.62 3k1f n GLN 366 Ca -0.14 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 3k1f n GLN 366 Cb 0.63 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 31.21 3k1f n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3k1f n LEU 367 N -0.07 0.00 0.20 1.08 4.77 -1.25 -4.28 117.00 117.45 3k1f n LEU 367 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3k1f n LEU 367 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3k1f n LEU 367 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3k1f n GLU 368 N 0.00 0.00 -0.36 3.23 1.02 -1.26 -4.66 120.64 118.60 3k1f n GLU 368 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3k1f n GLU 368 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 3k1f n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1f n GLY 369 N -0.75 1.71 1.03 0.62 0.00 -1.26 -3.56 105.19 102.98 3k1f n GLY 369 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3k1f n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k1f n PHE 370 N 2.61 0.00 -0.22 1.61 3.01 -1.26 -4.94 117.46 118.27 3k1f n PHE 370 Ca 0.14 -0.31 0.01 0.00 1.01 0.00 0.00 57.45 58.30 3k1f n PHE 370 Cb 0.34 0.05 0.12 0.00 -0.01 0.00 0.00 39.48 39.98 3k1f n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3k1f h GLU 371 N 0.43 0.47 -0.95 -1.08 3.07 -1.91 -0.48 114.58 114.13 3k1f h GLU 371 Ca -0.21 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.63 3k1f h GLU 371 Cb 1.57 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 29.33 3k1f h GLU 371 CO -0.01 0.31 0.63 1.03 -1.40 0.00 0.00 179.01 179.57 3k1f h SER 372 N 0.49 1.09 -0.17 1.42 0.87 -1.92 -1.00 113.55 114.33 3k1f h SER 372 Ca 0.33 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3k1f h SER 372 Cb 0.38 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3k1f h SER 372 CO -0.29 0.79 -0.02 0.03 -0.53 0.00 0.00 176.83 176.81 3k1f h ARG 373 N 1.28 0.31 -0.14 2.24 3.08 -1.43 -2.71 114.38 117.01 3k1f h ARG 373 Ca 0.35 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 3k1f h ARG 373 Cb -0.14 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3k1f h ARG 373 CO -0.08 0.55 -0.43 0.87 -1.07 0.00 0.00 179.97 179.81 3k1f h LYS 374 N 0.04 0.32 0.63 0.04 1.57 -1.03 -3.01 116.57 115.12 3k1f h LYS 374 Ca 0.05 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3k1f h LYS 374 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3k1f h LYS 374 CO 0.01 0.70 -0.37 0.00 -0.57 0.00 0.00 179.45 179.22 3k1f h ALA 375 N 1.28 -0.95 -0.12 3.86 0.00 -1.15 -1.46 119.26 120.71 3k1f h ALA 375 Ca 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3k1f h ALA 375 Cb 0.87 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3k1f h ALA 375 CO 0.07 -1.05 0.09 0.74 0.00 0.00 0.00 179.25 179.10 3k1f h PHE 376 N -0.94 0.02 -0.13 0.00 -1.00 -1.52 -1.09 116.94 112.29 3k1f h PHE 376 Ca -0.08 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 3k1f h PHE 376 Cb 0.75 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 3k1f h PHE 376 CO -0.09 0.01 -0.05 0.35 -1.61 0.00 0.00 178.31 176.92 3k1f h PHE 377 N 0.02 0.30 -0.62 -0.55 3.57 -1.37 -0.48 116.94 117.81 3k1f h PHE 377 Ca 0.06 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3k1f h PHE 377 Cb 0.20 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 3k1f h PHE 377 CO -0.00 0.58 0.39 1.25 -2.23 0.00 0.00 178.31 178.31 3k1f h LEU 378 N -0.07 0.66 -1.25 0.59 5.85 -0.42 -1.35 115.31 119.32 3k1f h LEU 378 Ca 0.03 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3k1f h LEU 378 Cb 0.50 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3k1f h LEU 378 CO 0.02 0.47 0.49 1.23 -0.34 0.00 0.00 178.44 180.31 3k1f h GLY 379 N 0.79 1.06 1.63 3.75 0.00 -1.15 -0.98 103.07 108.17 3k1f h GLY 379 Ca 0.24 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 3k1f h GLY 379 CO -0.08 0.40 -0.47 -1.82 0.00 0.00 0.00 176.54 174.57 3k1f h TYR 380 N 1.02 0.49 -0.23 5.60 3.20 -0.47 -0.70 116.97 125.89 3k1f h TYR 380 Ca 0.28 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 3k1f h TYR 380 Cb -0.11 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 3k1f h TYR 380 CO 0.00 0.80 -0.30 0.52 -1.64 0.00 0.00 178.16 177.54 3k1f h MET 381 N 0.32 0.60 -0.17 1.82 2.86 -0.46 -0.93 114.93 118.97 3k1f h MET 381 Ca 0.02 -0.34 -0.09 0.00 -2.06 0.00 0.00 59.70 57.23 3k1f h MET 381 Cb 0.95 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3k1f h MET 381 CO 0.08 0.95 -0.28 0.82 1.06 0.00 0.00 176.91 179.54 3k1f h ILE 382 N 0.30 1.26 0.08 -1.22 2.04 -1.17 -0.86 117.51 117.94 3k1f h ILE 382 Ca 0.03 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 3k1f h ILE 382 Cb 0.87 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3k1f h ILE 382 CO 0.07 0.38 -0.04 -1.13 0.00 0.00 0.00 178.15 177.44 3k1f h ASN 383 N 0.29 -0.09 0.65 1.72 -1.24 -1.04 -0.94 115.58 114.93 3k1f h ASN 383 Ca 0.04 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.93 3k1f h ASN 383 Cb 0.65 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.72 3k1f h ASN 383 CO 0.05 0.07 0.00 0.03 -1.29 0.00 0.00 177.43 176.28 3k1f h ARG 384 N -0.23 0.00 0.00 6.67 3.08 -0.87 -0.16 114.38 122.87 3k1f h ARG 384 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3k1f h ARG 384 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3k1f h ARG 384 CO 0.02 0.00 -0.00 1.25 -1.07 0.00 0.00 179.97 180.17 3k1f h LEU 385 N 0.00 -0.00 -1.96 3.04 5.85 -0.83 -3.29 115.31 118.12 3k1f h LEU 385 Ca 0.00 -0.81 -0.02 0.00 0.84 0.00 0.00 57.88 57.89 3k1f h LEU 385 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3k1f h LEU 385 CO 0.00 0.91 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.84 3k1f h LEU 386 N -1.00 0.00 -0.93 2.25 3.38 -0.93 -1.50 115.31 116.58 3k1f h LEU 386 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3k1f h LEU 386 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3k1f h LEU 386 CO 0.00 0.09 0.43 0.25 0.09 0.00 0.00 178.44 179.31 3k1f h LEU 387 N 0.00 1.08 0.04 1.67 5.85 -1.11 0.13 115.31 122.96 3k1f h LEU 387 Ca -0.00 -0.11 -0.26 0.00 0.84 0.00 0.00 57.88 58.35 3k1f h LEU 387 Cb 0.33 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3k1f h LEU 387 CO 0.01 0.88 -1.36 0.00 -0.34 0.00 0.00 178.44 177.64 3k1f h ALA 389 N 0.83 0.72 0.00 0.00 0.00 -0.87 -2.06 119.26 117.88 3k1f h ALA 389 Ca -0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3k1f h ALA 389 Cb 1.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3k1f h ALA 389 CO 0.13 0.28 -0.31 1.25 0.00 0.00 0.00 179.25 180.60 3k1f h LEU 390 N 0.75 0.00 -2.69 0.00 6.46 -0.88 -3.48 115.31 115.47 3k1f h LEU 390 Ca 0.19 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.87 3k1f h LEU 390 Cb 0.11 0.00 0.06 0.00 -0.73 0.00 0.00 40.66 40.11 3k1f h LEU 390 CO -0.02 0.31 -0.27 -0.67 -0.62 0.00 0.00 178.44 177.16 3k1f n ASP 391 N -3.47 -3.31 -0.02 1.25 2.03 -0.78 -5.01 116.55 107.24 3k1f n ASP 391 Ca -0.00 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.08 3k1f n ASP 391 Cb 0.47 -2.03 -0.07 0.00 -0.72 0.00 0.00 41.12 38.78 3k1f n ASP 391 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3k1f n ARG 392 N -2.05 1.46 -4.22 -0.67 1.74 -0.23 -5.01 116.66 107.67 3k1f n ARG 392 Ca -0.03 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.86 3k1f n ARG 392 Cb 0.54 -1.22 -0.10 0.00 -1.02 0.00 0.00 32.46 30.66 3k1f n ARG 392 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3k1f s LYS 393 N -2.42 0.96 0.36 5.56 2.20 -1.10 -5.02 119.74 120.29 3k1f s LYS 393 Ca -0.04 -1.31 0.09 0.00 -0.36 0.00 0.00 55.97 54.35 3k1f s LYS 393 Cb 0.04 -0.61 -0.06 0.00 -1.51 0.00 0.00 37.83 35.69 3k1f s LYS 393 CO 0.36 0.09 0.01 -0.51 -0.36 0.00 0.00 175.35 174.94 3k1f s ASP 394 N -2.79 4.06 -0.38 1.43 1.01 -1.26 -4.10 116.67 114.63 3k1f s ASP 394 Ca 0.11 -1.12 -0.41 0.00 0.71 0.00 0.00 52.55 51.85 3k1f s ASP 394 Cb -0.00 -0.46 -0.16 0.00 1.01 0.00 0.00 42.92 43.31 3k1f s ASP 394 CO 0.00 -0.31 1.96 1.67 0.21 0.00 0.00 175.17 178.70 3k1f n GLN 395 N -0.96 0.70 -1.71 8.23 7.27 -1.26 -4.84 117.38 124.80 3k1f n GLN 395 Ca -0.04 0.23 -0.42 0.00 0.07 0.00 0.00 57.00 56.84 3k1f n GLN 395 Cb 0.64 -1.99 -0.03 0.00 2.41 0.00 0.00 30.24 31.27 3k1f n GLN 395 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3k1f s ASP 396 N 5.21 6.47 0.09 1.69 -0.00 -0.44 -4.95 116.67 124.75 3k1f s ASP 396 Ca 1.08 2.62 -0.31 0.00 -0.00 0.00 0.00 52.55 55.94 3k1f s ASP 396 Cb -1.17 -2.53 -0.08 0.00 -0.00 0.00 0.00 42.92 39.14 3k1f s ASP 396 CO 0.63 -1.04 1.47 -0.62 -0.00 0.00 0.00 175.17 175.61 3k1f s ASP 397 N 4.30 6.75 0.38 0.27 2.15 -1.26 -4.86 116.67 124.40 3k1f s ASP 397 Ca 0.87 2.35 0.22 0.00 0.43 0.00 0.00 52.55 56.42 3k1f s ASP 397 Cb -0.42 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 39.88 3k1f s ASP 397 CO 0.40 -0.74 1.47 0.03 -0.17 0.00 0.00 175.17 176.16 3k1f h ARG 398 N 7.34 0.00 0.00 4.34 3.08 -1.98 -3.30 114.38 123.87 3k1f h ARG 398 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3k1f h ARG 398 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3k1f h ARG 398 CO 0.89 0.03 0.00 -0.25 -1.07 0.00 0.00 179.97 179.57 3k1f n ASP 399 N -3.02 0.00 -4.68 7.04 8.00 -1.26 -4.82 116.55 117.82 3k1f n ASP 399 Ca 0.03 -0.88 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 3k1f n ASP 399 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 3k1f n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3k1f s HIS 400 N -2.00 3.45 0.40 1.24 2.46 -1.24 -4.86 115.29 114.73 3k1f s HIS 400 Ca 0.41 1.39 0.12 0.00 0.47 0.00 0.00 55.06 57.45 3k1f s HIS 400 Cb 0.19 -3.09 0.93 0.00 -0.13 0.00 0.00 32.58 30.48 3k1f s HIS 400 CO 0.31 -0.24 1.92 0.35 -2.47 0.00 0.00 174.74 174.61 3k1f h PHE 401 N 7.24 0.62 0.00 3.88 3.57 -1.89 -1.52 116.94 128.83 3k1f h PHE 401 Ca -0.29 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 3k1f h PHE 401 Cb 1.13 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 3k1f h PHE 401 CO 0.72 0.26 -0.05 0.78 -2.23 0.00 0.00 178.31 177.79 3k1f h GLY 402 N 0.55 0.00 -2.43 2.40 0.00 -1.94 -1.11 103.07 100.55 3k1f h GLY 402 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3k1f h GLY 402 CO -0.13 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.69 3k1f n LYS 403 N -3.51 3.04 -5.21 4.80 5.02 -0.58 -4.75 118.16 116.96 3k1f n LYS 403 Ca -0.02 -2.60 -0.30 0.00 -2.02 0.00 0.00 58.31 53.37 3k1f n LYS 403 Cb 0.17 -1.60 -0.16 0.00 -0.02 0.00 0.00 35.03 33.42 3k1f n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3k1f s LYS 404 N -1.30 1.99 0.12 1.97 -0.14 -0.42 -1.04 119.74 120.92 3k1f s LYS 404 Ca 0.44 -0.86 0.08 0.00 -1.36 0.00 0.00 55.97 54.26 3k1f s LYS 404 Cb 0.25 -1.91 -0.04 0.00 -1.68 0.00 0.00 37.83 34.45 3k1f s LYS 404 CO 0.26 0.51 -0.18 1.03 -0.76 0.00 0.00 175.35 176.21 3k1f s ARG 405 N -0.54 1.12 -0.34 1.68 1.81 0.36 -4.72 118.95 118.32 3k1f s ARG 405 Ca 0.09 -1.22 0.04 0.00 -1.72 0.00 0.00 55.73 52.91 3k1f s ARG 405 Cb -0.10 -1.23 0.10 0.00 -0.45 0.00 0.00 34.95 33.27 3k1f s ARG 405 CO -0.01 0.27 0.05 -0.51 -0.68 0.00 0.00 175.30 174.42 3k1f s LEU 406 N -2.19 4.68 -0.19 2.53 1.43 -0.10 -0.69 118.68 124.15 3k1f s LEU 406 Ca 0.08 -2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 50.77 3k1f s LEU 406 Cb -0.08 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3k1f s LEU 406 CO 0.04 -0.38 1.80 -1.81 0.23 0.00 0.00 176.35 176.24 3k1f s ASP 407 N 0.92 6.18 0.46 2.29 1.01 -0.30 -4.42 116.67 122.81 3k1f s ASP 407 Ca 0.10 1.80 0.01 0.00 0.71 0.00 0.00 52.55 55.18 3k1f s ASP 407 Cb -0.19 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.27 3k1f s ASP 407 CO -0.08 -1.40 0.39 0.18 0.21 0.00 0.00 175.17 174.47 3k1f n LEU 408 N 9.07 0.00 -0.28 1.23 4.77 -1.26 -1.23 117.00 129.30 3k1f n LEU 408 Ca 0.21 -0.89 0.09 0.00 -0.03 0.00 0.00 56.01 55.39 3k1f n LEU 408 Cb 0.45 -0.24 0.22 0.00 -2.33 0.00 0.00 43.42 41.52 3k1f n LEU 408 CO 0.66 -0.67 0.90 0.00 -1.33 0.00 0.00 177.39 176.95 3k1f h ALA 409 N -0.33 1.05 0.02 -1.18 0.00 -1.89 -0.86 119.26 116.08 3k1f h ALA 409 Ca -0.13 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k1f h ALA 409 Cb 0.50 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3k1f h ALA 409 CO 0.15 -0.42 -0.02 0.78 0.00 0.00 0.00 179.25 179.74 3k1f h GLY 410 N 0.19 -0.55 0.17 0.00 0.00 -1.87 -0.94 103.07 100.08 3k1f h GLY 410 Ca 0.48 0.24 0.20 0.00 0.00 0.00 0.00 47.33 48.25 3k1f h GLY 410 CO -0.63 -0.21 0.62 -2.55 0.00 0.00 0.00 176.54 173.77 3k1f h PRO 411 N -0.04 0.59 0.10 4.80 0.11 -1.73 -0.17 132.00 135.65 3k1f h PRO 411 Ca -0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3k1f h PRO 411 Cb 0.03 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3k1f h PRO 411 CO 0.00 0.39 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.06 3k1f h LEU 412 N 0.61 -0.11 -1.29 2.35 3.38 -1.10 -1.11 115.31 118.04 3k1f h LEU 412 Ca 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 3k1f h LEU 412 Cb 1.05 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3k1f h LEU 412 CO -0.30 0.13 -0.10 -0.07 0.09 0.00 0.00 178.44 178.20 3k1f h LEU 413 N -0.35 0.00 -0.01 1.67 3.38 -0.71 -1.67 115.31 117.61 3k1f h LEU 413 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3k1f h LEU 413 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3k1f h LEU 413 CO 0.02 0.10 -0.04 0.00 0.09 0.00 0.00 178.44 178.61 3k1f h ALA 414 N 1.90 0.02 -0.33 1.53 0.00 -0.88 -0.38 119.26 121.13 3k1f h ALA 414 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3k1f h ALA 414 Cb 0.62 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3k1f h ALA 414 CO 0.01 -0.12 0.21 0.37 0.00 0.00 0.00 179.25 179.72 3k1f h GLN 415 N -0.60 0.44 0.47 0.00 4.15 -1.13 -0.21 115.11 118.23 3k1f h GLN 415 Ca -0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3k1f h GLN 415 Cb 0.71 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.31 3k1f h GLN 415 CO 0.01 0.31 -0.24 1.25 -1.93 0.00 0.00 178.83 178.23 3k1f h LEU 416 N 0.43 -0.57 -1.43 -2.39 6.46 -1.37 -1.84 115.31 114.60 3k1f h LEU 416 Ca 0.12 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 3k1f h LEU 416 Cb -0.02 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 3k1f h LEU 416 CO -0.02 -0.40 0.07 0.15 -0.62 0.00 0.00 178.44 177.62 3k1f h PHE 417 N -0.65 0.46 0.76 1.25 3.57 -0.99 -0.82 116.94 120.51 3k1f h PHE 417 Ca -0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 3k1f h PHE 417 Cb 0.51 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.12 3k1f h PHE 417 CO -0.05 0.40 -0.37 -0.22 -2.23 0.00 0.00 178.31 175.84 3k1f h LYS 418 N 0.45 -0.99 0.00 1.11 3.64 -0.81 0.10 116.57 120.08 3k1f h LYS 418 Ca 0.11 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3k1f h LYS 418 Cb 0.18 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3k1f h LYS 418 CO -0.00 -0.64 -0.14 1.79 -2.27 0.00 0.00 179.45 178.18 3k1f h THR 419 N -1.13 0.92 0.34 1.00 1.35 -1.27 -1.68 112.91 112.44 3k1f h THR 419 Ca -0.10 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 3k1f h THR 419 Cb 0.80 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3k1f h THR 419 CO 0.17 0.14 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.35 3k1f h LEU 420 N 0.00 -0.39 -1.90 3.87 3.38 -0.95 -2.95 115.31 116.38 3k1f h LEU 420 Ca -0.00 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.11 3k1f h LEU 420 Cb 0.29 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3k1f h LEU 420 CO 0.02 -0.15 0.36 0.15 0.09 0.00 0.00 178.44 178.91 3k1f h PHE 421 N -0.71 0.12 0.00 1.13 3.57 -0.77 -0.61 116.94 119.68 3k1f h PHE 421 Ca -0.05 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 3k1f h PHE 421 Cb 0.35 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3k1f h PHE 421 CO 0.05 0.05 -0.53 0.87 -2.23 0.00 0.00 178.31 176.53 3k1f h LYS 422 N 0.11 0.00 0.00 1.11 1.57 -1.37 0.33 116.57 118.32 3k1f h LYS 422 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3k1f h LYS 422 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3k1f h LYS 422 CO -0.03 0.53 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.94 3k1f h LYS 423 N 0.00 0.00 0.06 3.15 3.11 -0.94 -1.69 116.57 120.26 3k1f h LYS 423 Ca -0.01 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 3k1f h LYS 423 Cb 1.02 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.26 3k1f h LYS 423 CO 0.07 0.22 -0.38 1.25 -2.81 0.00 0.00 179.45 177.79 3k1f h LEU 424 N 0.00 0.20 -1.13 5.20 5.85 -1.04 -3.15 115.31 121.25 3k1f h LEU 424 Ca -0.00 -0.97 -0.03 0.00 0.84 0.00 0.00 57.88 57.72 3k1f h LEU 424 Cb 0.95 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3k1f h LEU 424 CO 0.03 1.18 0.26 0.74 -0.34 0.00 0.00 178.44 180.31 3k1f h THR 425 N -0.73 1.21 0.00 1.05 2.02 -0.93 -0.25 112.91 115.29 3k1f h THR 425 Ca -0.07 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3k1f h THR 425 Cb 1.29 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3k1f h THR 425 CO 0.06 0.26 0.00 2.29 0.37 0.00 0.00 175.52 178.50 3k1f n LYS 426 N -4.33 0.12 -0.03 6.66 2.85 -0.64 -2.09 118.16 120.70 3k1f n LYS 426 Ca 0.05 0.24 -0.04 0.00 -1.05 0.00 0.00 58.31 57.51 3k1f n LYS 426 Cb 0.15 -1.69 -0.13 0.00 -0.65 0.00 0.00 35.03 32.71 3k1f n LYS 426 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3k1f n ASP 427 N -1.91 0.42 0.08 -5.58 8.00 -0.57 -3.61 116.55 113.38 3k1f n ASP 427 Ca 0.04 0.19 -0.11 0.00 0.71 0.00 0.00 54.79 55.63 3k1f n ASP 427 Cb 0.29 0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 42.06 3k1f n ASP 427 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k1f h ILE 428 N 0.00 1.45 -0.58 0.53 2.04 -0.95 -0.91 117.51 119.09 3k1f h ILE 428 Ca -0.31 -2.53 -0.07 0.00 1.00 0.00 0.00 64.86 62.94 3k1f h ILE 428 Cb 1.83 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 40.33 3k1f h ILE 428 CO 0.04 0.75 0.07 0.15 0.00 0.00 0.00 178.15 179.16 3k1f h PHE 429 N 0.16 1.01 -0.25 1.37 3.57 -1.59 -0.69 116.94 120.53 3k1f h PHE 429 Ca -0.06 -0.13 -0.12 0.00 3.53 0.00 0.00 57.97 61.18 3k1f h PHE 429 Cb 1.53 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 3k1f h PHE 429 CO 0.04 0.87 -0.37 0.00 -2.23 0.00 0.00 178.31 176.63 3k1f h ARG 430 N 0.90 0.55 -0.15 1.11 3.08 -1.60 -1.33 114.38 116.94 3k1f h ARG 430 Ca 0.18 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3k1f h ARG 430 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3k1f h ARG 430 CO 0.01 0.84 -0.20 -0.92 -1.07 0.00 0.00 179.97 178.63 3k1f h TYR 431 N 0.46 0.27 -0.06 3.04 3.20 -0.51 -2.54 116.97 120.83 3k1f h TYR 431 Ca 0.05 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3k1f h TYR 431 Cb 0.85 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3k1f h TYR 431 CO 0.03 0.45 -0.24 0.52 -1.64 0.00 0.00 178.16 177.28 3k1f h MET 432 N 0.23 0.28 0.00 1.82 2.86 -0.88 -3.19 114.93 116.06 3k1f h MET 432 Ca 0.04 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3k1f h MET 432 Cb 0.50 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3k1f h MET 432 CO 0.03 0.85 0.06 1.04 1.06 0.00 0.00 176.91 179.95 3k1f n GLN 433 N -4.50 0.13 0.02 1.72 6.02 -0.53 -1.16 117.38 119.09 3k1f n GLN 433 Ca -0.08 0.62 0.12 0.00 -0.01 0.00 0.00 57.00 57.65 3k1f n GLN 433 Cb 0.45 -1.98 0.11 0.00 1.02 0.00 0.00 30.24 29.85 3k1f n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k1f n ARG 434 N -2.20 0.19 -2.57 -1.09 3.00 -0.98 -4.82 116.66 108.18 3k1f n ARG 434 Ca -0.01 0.02 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 3k1f n ARG 434 Cb 0.09 -1.58 -0.03 0.00 0.00 0.00 0.00 32.46 30.94 3k1f n ARG 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3k1f s THR 435 N -3.12 3.80 -2.21 0.55 2.01 -0.30 -4.82 115.64 111.54 3k1f s THR 435 Ca 0.07 0.17 0.25 0.00 0.31 0.00 0.00 61.69 62.49 3k1f s THR 435 Cb 0.15 -4.92 0.24 0.00 0.01 0.00 0.00 72.50 67.98 3k1f s THR 435 CO 0.76 -1.84 1.42 0.52 -0.69 0.00 0.00 174.62 174.79 3k1f n VAL 436 N 6.42 0.00 0.00 3.82 0.31 -1.26 -5.07 118.33 122.54 3k1f n VAL 436 Ca 0.07 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3k1f n VAL 436 Cb 0.49 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 3k1f n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1f n GLU 437 N 0.05 0.00 0.00 5.55 4.71 -1.26 -5.29 120.64 124.41 3k1f n GLU 437 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3k1f n GLU 437 Cb 0.43 -0.41 0.00 0.00 -1.01 0.00 0.00 31.44 30.44 3k1f n GLU 437 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3k1f n LEU 446 N -0.21 0.00 -3.73 -4.62 -0.00 -1.26 -5.32 117.00 101.85 3k1f n LEU 446 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 3k1f n LEU 446 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 3k1f n LEU 446 CO 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 177.39 177.27 3k1f n ALA 447 N 1.91 -1.67 -2.68 1.47 0.00 -1.26 -4.94 120.51 113.34 3k1f n ALA 447 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 3k1f n ALA 447 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3k1f n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k1f s ILE 448 N -4.11 4.86 -0.16 0.00 1.09 -1.26 -4.98 121.20 116.65 3k1f s ILE 448 Ca 0.16 1.98 -0.33 0.00 -1.10 0.00 0.00 60.65 61.36 3k1f s ILE 448 Cb -0.09 -4.28 -0.10 0.00 -1.06 0.00 0.00 42.46 36.92 3k1f s ILE 448 CO 0.46 0.18 2.01 -3.20 -0.10 0.00 0.00 174.94 174.29 3k1f n ASN 449 N 3.80 3.21 -0.00 3.58 2.85 -1.26 -4.87 115.26 122.56 3k1f n ASN 449 Ca 0.05 0.73 0.08 0.00 -0.11 0.00 0.00 54.58 55.33 3k1f n ASN 449 Cb 0.51 -1.39 -0.11 0.00 1.24 0.00 0.00 39.78 40.03 3k1f n ASN 449 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k1f n ALA 450 N 8.19 3.51 -0.25 5.20 0.00 -1.26 -4.54 120.51 131.36 3k1f n ALA 450 Ca 0.27 -0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 3k1f n ALA 450 Cb 0.31 -0.60 0.21 0.00 0.00 0.00 0.00 19.45 19.37 3k1f n ALA 450 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3k1f h LYS 451 N 0.00 1.06 -0.23 0.00 1.57 -1.98 -3.18 116.57 113.81 3k1f h LYS 451 Ca 0.00 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3k1f h LYS 451 Cb 0.57 -0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 3k1f h LYS 451 CO 0.00 0.72 -0.47 1.15 -0.57 0.00 0.00 179.45 180.28 3k1f h THR 452 N 1.08 0.08 0.42 -0.16 2.02 -1.99 -1.03 112.91 113.32 3k1f h THR 452 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 3k1f h THR 452 Cb -0.08 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3k1f h THR 452 CO -0.06 0.00 -0.20 0.40 0.37 0.00 0.00 175.52 176.03 3k1f h ILE 453 N -0.47 0.59 -0.06 3.11 2.04 -1.89 -0.89 117.51 119.94 3k1f h ILE 453 Ca 0.08 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3k1f h ILE 453 Cb 0.63 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3k1f h ILE 453 CO -0.47 0.03 -0.53 0.74 0.00 0.00 0.00 178.15 177.92 3k1f h THR 454 N -0.65 0.00 -0.58 -0.27 2.02 -1.62 -2.33 112.91 109.47 3k1f h THR 454 Ca -0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 3k1f h THR 454 Cb 0.48 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3k1f h THR 454 CO 0.09 0.00 0.11 0.77 0.37 0.00 0.00 175.52 176.86 3k1f h SER 455 N -0.61 0.86 -0.13 4.18 4.64 -1.25 -2.57 113.55 118.68 3k1f h SER 455 Ca 0.02 -0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3k1f h SER 455 Cb 0.68 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 3k1f h SER 455 CO -0.39 0.86 -0.17 1.23 -0.87 0.00 0.00 176.83 177.50 3k1f h GLY 456 N 1.01 -0.11 1.24 -0.77 0.00 -0.79 -1.04 103.07 102.60 3k1f h GLY 456 Ca 0.18 0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.61 3k1f h GLY 456 CO 0.01 -0.16 -0.11 1.41 0.00 0.00 0.00 176.54 177.68 3k1f h LEU 457 N -0.21 0.89 0.41 3.11 3.38 -1.40 -1.99 115.31 119.50 3k1f h LEU 457 Ca 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3k1f h LEU 457 Cb 0.35 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3k1f h LEU 457 CO -0.25 1.01 -0.22 0.50 0.09 0.00 0.00 178.44 179.57 3k1f h LYS 458 N 0.80 -0.56 0.73 1.13 3.64 -1.12 -1.58 116.57 119.61 3k1f h LYS 458 Ca 0.13 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3k1f h LYS 458 Cb 0.63 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3k1f h LYS 458 CO 0.04 -0.38 -0.50 -0.92 -2.27 0.00 0.00 179.45 175.43 3k1f h TYR 459 N -0.58 -1.34 -0.64 1.91 3.20 -1.15 -0.80 116.97 117.56 3k1f h TYR 459 Ca -0.05 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.93 3k1f h TYR 459 Cb 0.46 0.49 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 3k1f h TYR 459 CO -0.07 -0.72 0.43 0.00 -1.64 0.00 0.00 178.16 176.16 3k1f h ALA 460 N -1.08 2.08 -0.00 1.82 0.00 -1.39 0.62 119.26 121.31 3k1f h ALA 460 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k1f h ALA 460 Cb 0.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3k1f h ALA 460 CO 0.06 -0.24 -0.38 1.28 0.00 0.00 0.00 179.25 179.98 3k1f n LEU 461 N -4.47 0.54 -0.07 0.00 4.77 -0.60 -4.12 117.00 113.06 3k1f n LEU 461 Ca 0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 3k1f n LEU 461 Cb 0.44 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 3k1f n LEU 461 CO 0.34 0.12 -0.61 0.00 -1.33 0.00 0.00 177.39 175.91 3k1f h ALA 462 N 3.17 0.32 -2.14 -1.18 0.00 0.57 -3.48 119.26 116.51 3k1f h ALA 462 Ca 0.00 -1.27 -0.46 0.00 0.00 0.00 0.00 54.91 53.18 3k1f h ALA 462 Cb 0.49 0.73 0.06 0.00 0.00 0.00 0.00 17.79 19.07 3k1f h ALA 462 CO 0.00 0.90 0.10 0.95 0.00 0.00 0.00 179.25 181.21 3k1f s THR 463 N -2.43 2.94 0.28 0.00 -4.23 -0.28 -4.99 115.64 106.94 3k1f s THR 463 Ca -0.27 -0.34 0.12 0.00 -1.18 0.00 0.00 61.69 60.03 3k1f s THR 463 Cb 0.06 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 70.74 3k1f s THR 463 CO 0.65 -0.16 1.67 1.23 -0.54 0.00 0.00 174.62 177.47 3k1f h GLY 464 N -0.19 0.00 -1.60 3.99 0.00 -1.83 -3.46 103.07 99.99 3k1f h GLY 464 Ca -0.44 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.36 3k1f h GLY 464 CO 0.58 0.00 -0.20 0.70 0.00 0.00 0.00 176.54 177.62 3k1f n ASN 465 N -3.84 -0.94 0.00 0.19 4.13 -1.26 -1.68 115.26 111.87 3k1f n ASN 465 Ca -0.01 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.61 3k1f n ASN 465 Cb 0.56 -1.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 3k1f n ASN 465 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 3k1f n TRP 466 N -3.95 0.00 -1.69 3.10 -0.00 -1.24 -4.68 117.44 108.99 3k1f n TRP 466 Ca 0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.16 3k1f n TRP 466 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.81 3k1f n TRP 466 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 3k1f s GLY 467 N 0.00 0.59 0.55 5.87 0.00 -1.26 -4.48 107.32 108.59 3k1f s GLY 467 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3k1f s GLY 467 CO 0.00 3.69 0.00 1.18 0.00 0.00 0.00 173.10 177.97 3k1f n GLU 468 N 8.66 -4.32 0.03 2.90 1.02 -1.26 -4.64 120.64 123.03 3k1f n GLU 468 Ca 0.28 3.28 -0.02 0.00 -0.02 0.00 0.00 57.16 60.69 3k1f n GLU 468 Cb 0.45 -3.92 -0.01 0.00 -0.02 0.00 0.00 31.44 27.95 3k1f n GLU 468 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3k1f h GLN 469 N 0.98 -0.10 0.00 3.49 4.15 -1.97 -3.28 115.11 118.37 3k1f h GLN 469 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3k1f h GLN 469 Cb 0.45 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3k1f h GLN 469 CO 0.00 -0.07 0.00 1.63 -1.93 0.00 0.00 178.83 178.46 3k1f n LYS 470 N -2.91 0.00 -0.90 1.69 5.02 -1.26 -0.31 118.16 119.49 3k1f n LYS 470 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3k1f n LYS 470 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 3k1f n LYS 470 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k1f n ALA 472 N 4.23 0.00 0.25 7.82 0.00 -1.26 -5.08 120.51 126.46 3k1f n ALA 472 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3k1f n ALA 472 Cb 0.00 -1.11 0.63 0.00 0.00 0.00 0.00 19.45 18.96 3k1f n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f h MET 473 N 0.29 0.00 0.00 0.00 -0.00 -0.72 -3.11 114.93 111.38 3k1f h MET 473 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3k1f h MET 473 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 3k1f h MET 473 CO 0.00 0.16 0.00 -1.13 -0.00 0.00 0.00 176.91 175.94 3k1f n SER 474 N -3.52 0.00 -4.74 -0.10 3.41 -1.26 -4.80 113.62 102.62 3k1f n SER 474 Ca -0.01 -0.57 -0.34 0.00 -0.26 0.00 0.00 58.87 57.69 3k1f n SER 474 Cb 0.32 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.34 3k1f n SER 474 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k1f s SER 475 N -1.94 4.52 -0.90 4.04 1.04 -1.18 -4.82 113.70 114.47 3k1f s SER 475 Ca 0.21 2.25 -0.21 0.00 0.48 0.00 0.00 55.95 58.68 3k1f s SER 475 Cb 0.10 -2.58 -0.23 0.00 0.10 0.00 0.00 66.02 63.40 3k1f s SER 475 CO 0.16 -2.04 2.41 -2.11 0.98 0.00 0.00 173.24 172.64 3k1f n ARG 476 N -2.57 0.22 -3.48 4.02 1.85 -1.26 -4.11 116.66 111.34 3k1f n ARG 476 Ca 0.12 -0.13 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 3k1f n ARG 476 Cb 0.51 -1.90 -0.05 0.00 -1.05 0.00 0.00 32.46 29.97 3k1f n ARG 476 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3k1f s ALA 477 N 6.86 3.62 0.00 2.89 0.00 -1.26 -3.61 121.76 130.27 3k1f s ALA 477 Ca 1.23 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3k1f s ALA 477 Cb -0.79 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3k1f s ALA 477 CO 0.43 0.54 0.00 0.41 0.00 0.00 0.00 175.76 177.14 3k1f n GLY 478 N -0.11 1.80 3.84 0.00 0.00 -0.67 -4.87 105.19 105.17 3k1f n GLY 478 Ca -0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3k1f n GLY 478 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k1f s VAL 479 N -0.39 1.94 -0.77 1.61 -7.23 -1.22 -4.60 120.40 109.74 3k1f s VAL 479 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 3k1f s VAL 479 Cb 0.00 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 3k1f s VAL 479 CO 0.00 0.00 0.71 -0.24 -0.31 0.00 0.00 175.10 175.26 3k1f n SER 480 N -3.81 -6.90 -4.84 4.85 2.88 -1.22 -4.30 113.62 100.27 3k1f n SER 480 Ca 0.11 -0.27 -0.36 0.00 -1.33 0.00 0.00 58.87 57.02 3k1f n SER 480 Cb 0.60 -4.87 -0.06 0.00 -0.75 0.00 0.00 64.21 59.13 3k1f n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3k1f s GLN 481 N -3.45 4.00 -0.48 -1.46 -0.21 -0.45 -4.66 119.66 112.94 3k1f s GLN 481 Ca 0.15 0.51 -0.28 0.00 0.02 0.00 0.00 55.36 55.75 3k1f s GLN 481 Cb -0.02 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3k1f s GLN 481 CO 0.68 0.54 1.57 0.08 -2.12 0.00 0.00 175.29 176.04 3k1f s VAL 482 N -1.34 3.68 -0.02 1.09 1.01 -1.26 -0.77 120.40 122.79 3k1f s VAL 482 Ca 0.34 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.72 3k1f s VAL 482 Cb -0.16 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 3k1f s VAL 482 CO 0.18 -0.85 0.60 -0.11 0.00 0.00 0.00 175.10 174.92 3k1f n LEU 483 N 10.03 0.05 -4.66 3.92 7.94 -0.33 -4.90 117.00 129.05 3k1f n LEU 483 Ca 0.17 0.63 -0.42 0.00 -1.11 0.00 0.00 56.01 55.27 3k1f n LEU 483 Cb 0.49 -0.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3k1f n LEU 483 CO 0.70 -0.98 1.26 0.20 -1.11 0.00 0.00 177.39 177.46 3k1f s ASN 484 N 0.14 6.77 -0.49 1.96 0.01 -1.26 -4.97 114.94 117.11 3k1f s ASN 484 Ca 0.50 2.05 0.07 0.00 -0.71 0.00 0.00 52.86 54.77 3k1f s ASN 484 Cb -0.70 -2.54 0.25 0.00 0.41 0.00 0.00 41.25 38.67 3k1f s ASN 484 CO 0.32 -0.85 0.60 -1.14 -1.51 0.00 0.00 177.10 174.52 3k1f n ARG 485 N 6.79 1.38 0.00 -0.60 3.00 -1.26 -3.83 116.66 122.15 3k1f n ARG 485 Ca 0.16 -3.77 0.00 0.00 -0.00 0.00 0.00 57.85 54.24 3k1f n ARG 485 Cb 0.43 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 31.28 3k1f n ARG 485 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3k1f n TYR 486 N 1.23 0.00 -4.41 -0.14 4.02 -1.26 -4.85 117.16 111.75 3k1f n TYR 486 Ca 0.24 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.87 3k1f n TYR 486 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.69 3k1f n TYR 486 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3k1f s THR 487 N -1.00 2.49 0.48 -0.72 2.01 -1.26 -3.68 115.64 113.97 3k1f s THR 487 Ca 0.00 -2.03 0.17 0.00 0.31 0.00 0.00 61.69 60.14 3k1f s THR 487 Cb 0.00 -2.21 0.33 0.00 0.01 0.00 0.00 72.50 70.62 3k1f s THR 487 CO 0.00 -0.15 2.04 0.22 -0.69 0.00 0.00 174.62 176.03 3k1f h TYR 488 N 3.04 0.20 0.11 4.92 3.20 -1.76 -1.05 116.97 125.64 3k1f h TYR 488 Ca -0.46 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 3k1f h TYR 488 Cb 1.21 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.42 3k1f h TYR 488 CO 0.70 0.10 -0.05 0.66 -1.64 0.00 0.00 178.16 177.93 3k1f h SER 489 N 0.20 -0.13 -0.56 -2.11 4.64 -1.91 -1.53 113.55 112.15 3k1f h SER 489 Ca 0.18 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3k1f h SER 489 Cb 0.47 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3k1f h SER 489 CO -0.03 -0.02 0.08 -1.28 -0.87 0.00 0.00 176.83 174.72 3k1f h SER 490 N -0.24 0.92 -0.31 4.97 0.87 -1.71 -1.59 113.55 116.46 3k1f h SER 490 Ca -0.02 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.38 3k1f h SER 490 Cb 0.19 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3k1f h SER 490 CO 0.03 0.93 0.05 0.74 -0.53 0.00 0.00 176.83 178.05 3k1f h THR 491 N 0.91 0.84 0.01 2.23 2.02 -1.03 -1.26 112.91 116.63 3k1f h THR 491 Ca 0.18 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3k1f h THR 491 Cb 0.42 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3k1f h THR 491 CO 0.01 0.03 -0.00 -0.07 0.37 0.00 0.00 175.52 175.86 3k1f h LEU 492 N 0.16 -0.01 -1.41 2.58 3.38 -1.09 -3.26 115.31 115.67 3k1f h LEU 492 Ca 0.15 -0.34 0.21 0.00 0.09 0.00 0.00 57.88 57.99 3k1f h LEU 492 Cb 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 3k1f h LEU 492 CO -0.20 0.34 0.61 -1.28 0.09 0.00 0.00 178.44 178.00 3k1f h SER 493 N -0.35 0.48 0.65 -0.43 0.87 -1.03 0.22 113.55 113.96 3k1f h SER 493 Ca -0.00 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 3k1f h SER 493 Cb 0.35 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3k1f h SER 493 CO 0.00 0.18 -0.40 -0.74 -0.53 0.00 0.00 176.83 175.34 3k1f h HIS 494 N 0.47 0.00 0.22 2.24 -0.00 -1.28 -3.28 115.15 113.53 3k1f h HIS 494 Ca 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.86 3k1f h HIS 494 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 3k1f h HIS 494 CO -0.00 0.40 -0.11 -0.07 -0.00 0.00 0.00 177.93 178.15 3k1f h LEU 495 N 0.00 -0.25 -5.03 0.26 3.38 -1.05 -3.33 115.31 109.28 3k1f h LEU 495 Ca -0.00 -0.20 -0.40 0.00 0.09 0.00 0.00 57.88 57.36 3k1f h LEU 495 Cb 0.83 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3k1f h LEU 495 CO 0.05 0.26 2.29 0.54 0.09 0.00 0.00 178.44 181.68 3k1f n ARG 496 N -4.97 2.39 -4.23 1.13 1.74 -1.02 -4.83 116.66 106.86 3k1f n ARG 496 Ca -0.07 -1.49 -0.17 0.00 -0.77 0.00 0.00 57.85 55.36 3k1f n ARG 496 Cb 0.22 -2.40 -0.15 0.00 -1.02 0.00 0.00 32.46 29.11 3k1f n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3k1f s ARG 497 N 2.61 0.58 0.02 5.56 3.52 -1.25 -1.38 118.95 128.62 3k1f s ARG 497 Ca 0.50 -0.22 0.08 0.00 -0.13 0.00 0.00 55.73 55.96 3k1f s ARG 497 Cb 0.16 -0.57 -0.02 0.00 -1.56 0.00 0.00 34.95 32.95 3k1f s ARG 497 CO -0.03 0.11 -0.22 -0.08 -0.81 0.00 0.00 175.30 174.26 3k1f s THR 498 N 0.01 1.80 -0.21 4.11 -1.32 -0.20 -3.57 115.64 116.26 3k1f s THR 498 Ca 0.00 -1.15 -0.07 0.00 -1.21 0.00 0.00 61.69 59.27 3k1f s THR 498 Cb -0.04 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.38 3k1f s THR 498 CO -0.00 0.35 0.06 0.21 -2.21 0.00 0.00 174.62 173.02 3k1f s ASN 499 N -0.95 5.28 -0.46 8.08 3.84 -0.31 -1.56 114.94 128.86 3k1f s ASN 499 Ca 0.09 -0.09 -0.09 0.00 0.21 0.00 0.00 52.86 52.98 3k1f s ASN 499 Cb -0.09 -1.92 0.12 0.00 -0.55 0.00 0.00 41.25 38.80 3k1f s ASN 499 CO 0.01 0.07 0.33 -0.89 -2.79 0.00 0.00 177.10 173.83 3k1f s THR 500 N 1.01 4.17 0.92 -5.21 2.01 -1.18 -1.48 115.64 115.88 3k1f s THR 500 Ca 0.04 -1.77 -0.12 0.00 0.31 0.00 0.00 61.69 60.14 3k1f s THR 500 Cb -0.14 -3.74 0.14 0.00 0.01 0.00 0.00 72.50 68.77 3k1f s THR 500 CO 0.03 -0.75 1.10 -2.84 -0.69 0.00 0.00 174.62 171.47 3k1f s PRO 501 N 1.36 1.05 0.38 4.92 0.02 -1.26 -4.82 135.00 136.65 3k1f s PRO 501 Ca 0.06 0.54 0.03 0.00 0.02 0.00 0.00 61.00 61.64 3k1f s PRO 501 Cb -0.26 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.48 3k1f s PRO 501 CO -0.01 -2.31 0.23 0.44 -0.33 0.00 0.00 177.00 175.02 3k1f n ILE 502 N -3.89 0.00 -3.79 2.83 -6.64 -1.26 -5.09 119.36 101.52 3k1f n ILE 502 Ca 0.06 -1.58 -0.37 0.00 -1.77 0.00 0.00 62.75 59.09 3k1f n ILE 502 Cb 0.57 -0.06 -0.06 0.00 -1.44 0.00 0.00 39.64 38.65 3k1f n ILE 502 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 3k1f s LEU 508 N 0.00 4.41 0.00 7.28 0.20 -1.26 -5.27 118.68 124.04 3k1f s LEU 508 Ca 0.18 0.58 0.00 0.00 0.69 0.00 0.00 54.13 55.57 3k1f s LEU 508 Cb -0.01 -2.24 0.00 0.00 -0.43 0.00 0.00 46.19 43.50 3k1f s LEU 508 CO 0.11 0.38 0.00 0.00 -0.29 0.00 0.00 176.35 176.55 3k1f n ALA 509 N 1.85 0.00 0.00 5.97 0.00 -1.26 -4.69 120.51 122.37 3k1f n ALA 509 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3k1f n ALA 509 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3k1f n ALA 509 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3k1f n LYS 510 N 7.84 0.00 0.07 0.00 -0.00 -1.26 -1.82 118.16 122.99 3k1f n LYS 510 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 3k1f n LYS 510 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 3k1f n LYS 510 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 3k1f h PRO 511 N 0.00 0.00 -0.02 -1.58 0.11 -1.96 -3.33 132.00 125.23 3k1f h PRO 511 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3k1f h PRO 511 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3k1f h PRO 511 CO 0.00 0.95 -0.13 0.00 -0.21 0.00 0.00 178.00 178.60 3k1f h ARG 512 N 0.00 0.03 -7.04 1.05 3.08 -1.55 -3.45 114.38 106.49 3k1f h ARG 512 Ca -0.01 -0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.54 3k1f h ARG 512 Cb 1.68 -0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.78 3k1f h ARG 512 CO 0.12 0.16 0.44 -0.65 -1.07 0.00 0.00 179.97 178.97 3k1f s GLN 513 N -4.75 3.66 -0.72 0.04 1.11 -1.23 -4.32 119.66 113.44 3k1f s GLN 513 Ca -0.04 1.61 -0.26 0.00 0.01 0.00 0.00 55.36 56.68 3k1f s GLN 513 Cb 0.16 -2.21 -0.00 0.00 -1.01 0.00 0.00 33.01 29.94 3k1f s GLN 513 CO 0.69 -0.60 1.67 -1.17 0.01 0.00 0.00 175.29 175.90 3k1f s LEU 514 N -3.36 3.25 0.72 2.90 2.96 -1.26 -4.99 118.68 118.90 3k1f s LEU 514 Ca 0.67 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 3k1f s LEU 514 Cb -0.24 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 43.93 3k1f s LEU 514 CO 0.28 -2.21 1.08 -2.28 -1.32 0.00 0.00 176.35 171.90 3k1f s HIS 515 N 7.94 2.84 0.34 5.38 5.65 -1.26 -4.97 115.29 131.21 3k1f s HIS 515 Ca 0.57 1.49 0.02 0.00 0.25 0.00 0.00 55.06 57.39 3k1f s HIS 515 Cb -0.09 -2.98 0.60 0.00 -1.18 0.00 0.00 32.58 28.93 3k1f s HIS 515 CO 0.14 -1.50 1.97 -0.91 -0.65 0.00 0.00 174.74 173.79 3k1f h ASN 516 N -0.80 0.71 0.32 9.88 2.35 -1.94 -2.57 115.58 123.54 3k1f h ASN 516 Ca -0.44 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.20 3k1f h ASN 516 Cb 1.22 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 3k1f h ASN 516 CO 0.54 0.57 -0.31 0.71 -1.65 0.00 0.00 177.43 177.29 3k1f h THR 517 N 0.82 1.20 -0.38 2.81 1.35 -1.93 -3.14 112.91 113.64 3k1f h THR 517 Ca 0.21 -1.06 0.11 0.00 -0.55 0.00 0.00 66.41 65.12 3k1f h THR 517 Cb -0.00 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 3k1f h THR 517 CO -0.04 0.30 0.64 0.45 -0.25 0.00 0.00 175.52 176.63 3k1f h HIS 518 N 0.00 0.00 -1.55 4.73 3.86 -1.82 -3.44 115.15 116.93 3k1f h HIS 518 Ca -0.00 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.48 3k1f h HIS 518 Cb 0.55 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.05 3k1f h HIS 518 CO 0.00 0.00 0.76 1.87 0.86 0.00 0.00 177.93 181.42 3k1f n TRP 519 N -3.25 1.87 -0.39 2.45 -0.00 -1.19 -1.74 117.44 115.20 3k1f n TRP 519 Ca 0.07 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.17 3k1f n TRP 519 Cb 0.79 -2.41 0.00 0.00 -0.00 0.00 0.00 31.31 29.69 3k1f n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3k1f n GLY 520 N 3.68 1.42 0.24 5.87 0.00 -1.26 -4.78 105.19 110.36 3k1f n GLY 520 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3k1f n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1f n LEU 521 N 0.00 2.27 -4.48 0.99 4.77 -0.71 -4.00 117.00 115.84 3k1f n LEU 521 Ca 0.00 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 3k1f n LEU 521 Cb 0.00 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.50 3k1f n LEU 521 CO 0.00 0.58 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.46 3k1f s VAL 522 N -2.28 2.78 0.14 4.08 1.01 -0.88 -1.37 120.40 123.88 3k1f s VAL 522 Ca -0.20 -1.59 -0.31 0.00 0.00 0.00 0.00 61.98 59.89 3k1f s VAL 522 Cb 0.06 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 3k1f s VAL 522 CO 0.31 0.06 1.32 0.00 0.00 0.00 0.00 175.10 176.78 3k1f h PRO 524 N 6.14 0.00 0.03 0.00 0.13 -1.92 -3.35 132.00 133.04 3k1f h PRO 524 Ca -0.43 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.31 3k1f h PRO 524 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 3k1f h PRO 524 CO 0.81 0.29 -2.32 0.00 -0.23 0.00 0.00 178.00 176.56 3k1f n ALA 525 N -2.24 1.25 -1.99 -0.56 0.00 -1.26 -4.91 120.51 110.80 3k1f n ALA 525 Ca 0.00 -0.95 -0.38 0.00 0.00 0.00 0.00 53.44 52.11 3k1f n ALA 525 Cb 0.49 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 3k1f n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3k1f s GLU 526 N -2.53 2.58 -0.20 0.00 2.12 -1.26 -4.27 118.70 115.15 3k1f s GLU 526 Ca -0.32 0.70 -0.14 0.00 0.36 0.00 0.00 54.97 55.58 3k1f s GLU 526 Cb 0.09 -4.40 0.06 0.00 0.26 0.00 0.00 34.13 30.13 3k1f s GLU 526 CO 0.64 -2.77 0.51 -0.08 -0.54 0.00 0.00 175.26 173.02 3k1f s THR 527 N 9.36 -0.01 -0.30 -1.70 -1.32 -1.26 -4.00 115.64 116.41 3k1f s THR 527 Ca 0.70 0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.93 3k1f s THR 527 Cb -0.13 -0.74 0.01 0.00 -1.51 0.00 0.00 72.50 70.13 3k1f s THR 527 CO 0.21 0.02 1.19 -2.84 -2.21 0.00 0.00 174.62 170.99 3k1f s PRO 528 N 1.07 4.01 0.25 7.08 0.02 -1.26 -4.92 135.00 141.25 3k1f s PRO 528 Ca -0.06 1.18 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 3k1f s PRO 528 Cb -0.06 -3.81 -0.14 0.00 0.02 0.00 0.00 34.50 30.51 3k1f s PRO 528 CO -0.10 -0.99 1.19 0.39 -0.33 0.00 0.00 177.00 177.16 3k1f n GLU 529 N 7.07 1.59 -0.64 5.54 1.02 -1.26 -2.08 120.64 131.87 3k1f n GLU 529 Ca 0.13 0.56 0.08 0.00 -0.02 0.00 0.00 57.16 57.92 3k1f n GLU 529 Cb 0.47 -2.07 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 3k1f n GLU 529 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1f n GLY 530 N 1.62 -1.83 2.38 0.62 0.00 -1.26 -4.67 105.19 102.05 3k1f n GLY 530 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3k1f n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1f n GLN 531 N -2.78 0.00 -1.02 1.61 0.00 -1.26 -0.25 117.38 113.67 3k1f n GLN 531 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.88 3k1f n GLN 531 Cb 0.29 0.00 0.17 0.00 0.00 0.00 0.00 30.24 30.71 3k1f n GLN 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k1f n ALA 532 N 0.00 4.77 -2.34 2.61 0.00 -1.26 -4.94 120.51 119.36 3k1f n ALA 532 Ca 0.00 -3.19 -0.35 0.00 0.00 0.00 0.00 53.44 49.90 3k1f n ALA 532 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3k1f n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f n GLY 534 N 6.27 1.09 0.37 0.00 0.00 -1.26 -4.82 105.19 106.83 3k1f n GLY 534 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 3k1f n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1f n LEU 535 N 0.00 1.50 -4.57 0.99 4.77 -0.97 -4.32 117.00 114.40 3k1f n LEU 535 Ca 0.00 0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 3k1f n LEU 535 Cb 0.00 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3k1f n LEU 535 CO 0.00 0.21 1.30 -0.69 -1.33 0.00 0.00 177.39 176.89 3k1f s VAL 536 N -2.45 3.69 -0.19 4.08 1.01 -1.19 -3.08 120.40 122.28 3k1f s VAL 536 Ca -0.27 0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 3k1f s VAL 536 Cb 0.09 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3k1f s VAL 536 CO 0.35 -1.24 0.08 -0.54 0.00 0.00 0.00 175.10 173.74 3k1f s LYS 537 N 5.81 4.00 -0.17 2.72 1.02 -0.60 -4.42 119.74 128.10 3k1f s LYS 537 Ca 0.52 -0.33 -0.14 0.00 0.02 0.00 0.00 55.97 56.04 3k1f s LYS 537 Cb -0.11 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 3k1f s LYS 537 CO 0.22 0.25 0.31 -0.80 -0.92 0.00 0.00 175.35 174.42 3k1f s ASN 538 N 0.46 6.43 0.17 2.83 0.01 -1.26 -1.03 114.94 122.56 3k1f s ASN 538 Ca 0.04 0.50 -0.31 0.00 -0.71 0.00 0.00 52.86 52.39 3k1f s ASN 538 Cb -0.12 -2.19 -0.09 0.00 0.41 0.00 0.00 41.25 39.26 3k1f s ASN 538 CO 0.00 0.06 1.36 -0.22 -1.51 0.00 0.00 177.10 176.79 3k1f s LEU 539 N 0.67 4.39 1.01 0.60 2.96 -0.48 -1.15 118.68 126.69 3k1f s LEU 539 Ca 0.17 2.41 -0.12 0.00 -0.22 0.00 0.00 54.13 56.37 3k1f s LEU 539 Cb -0.13 -3.60 0.19 0.00 0.50 0.00 0.00 46.19 43.15 3k1f s LEU 539 CO 0.05 -0.60 1.08 -0.44 -1.32 0.00 0.00 176.35 175.12 3k1f s SER 540 N 0.65 2.48 0.14 3.68 0.01 -0.47 -3.98 113.70 116.20 3k1f s SER 540 Ca 0.60 1.36 -0.17 0.00 1.31 0.00 0.00 55.95 59.06 3k1f s SER 540 Cb -0.37 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3k1f s SER 540 CO 0.36 -3.25 1.75 -0.07 0.41 0.00 0.00 173.24 172.44 3k1f h LEU 541 N -1.97 0.43 0.05 2.44 3.38 -1.39 -3.30 115.31 114.94 3k1f h LEU 541 Ca -0.54 -0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.06 3k1f h LEU 541 Cb 1.32 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3k1f h LEU 541 CO 0.55 0.38 -1.59 0.24 0.09 0.00 0.00 178.44 178.11 3k1f h MET 542 N 0.45 0.10 -6.48 1.13 2.86 -1.85 -3.48 114.93 107.66 3k1f h MET 542 Ca 0.12 -0.16 -0.61 0.00 -2.06 0.00 0.00 59.70 57.00 3k1f h MET 542 Cb 0.04 0.06 0.11 0.00 0.06 0.00 0.00 31.60 31.86 3k1f h MET 542 CO -0.02 0.82 0.16 -1.13 1.06 0.00 0.00 176.91 177.79 3k1f n SER 543 N -3.25 1.37 -3.93 1.22 3.41 -1.25 -4.55 113.62 106.65 3k1f n SER 543 Ca -0.16 1.18 -0.10 0.00 -0.26 0.00 0.00 58.87 59.53 3k1f n SER 543 Cb 1.03 -1.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.59 3k1f n SER 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1f s ILE 545 N -2.24 5.03 0.03 0.00 1.01 -1.26 -1.12 121.20 122.64 3k1f s ILE 545 Ca -0.08 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 3k1f s ILE 545 Cb -0.03 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 3k1f s ILE 545 CO -0.03 0.53 1.59 -0.94 0.00 0.00 0.00 174.94 176.09 3k1f s SER 546 N -0.77 6.68 0.39 3.58 1.04 -0.09 -4.90 113.70 119.62 3k1f s SER 546 Ca 0.24 2.34 0.11 0.00 0.48 0.00 0.00 55.95 59.13 3k1f s SER 546 Cb -0.17 -2.56 0.78 0.00 0.10 0.00 0.00 66.02 64.18 3k1f s SER 546 CO 0.13 -0.85 1.89 1.62 0.98 0.00 0.00 173.24 177.01 3k1f h VAL 547 N 4.98 1.20 -0.45 5.02 3.04 -1.90 -2.67 116.25 125.46 3k1f h VAL 547 Ca -0.41 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 3k1f h VAL 547 Cb 1.19 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 3k1f h VAL 547 CO 0.93 0.28 0.00 0.61 -1.01 0.00 0.00 177.57 178.37 3k1f n GLY 548 N -0.74 -1.30 2.90 3.17 0.00 -1.26 -4.80 105.19 103.15 3k1f n GLY 548 Ca -0.01 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 3k1f n GLY 548 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k1f n THR 549 N 1.34 0.00 -3.28 2.61 -2.24 -0.54 -4.95 114.28 107.22 3k1f n THR 549 Ca 0.00 -2.02 -0.38 0.00 -2.27 0.00 0.00 64.05 59.38 3k1f n THR 549 Cb 0.00 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 3k1f n THR 549 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k1f s ASP 550 N -3.18 6.72 0.28 3.42 -1.08 -1.26 -4.79 116.67 116.78 3k1f s ASP 550 Ca 0.13 0.85 0.21 0.00 -0.52 0.00 0.00 52.55 53.22 3k1f s ASP 550 Cb 0.01 -2.30 0.11 0.00 -1.46 0.00 0.00 42.92 39.28 3k1f s ASP 550 CO 0.10 -0.02 1.28 1.55 0.52 0.00 0.00 175.17 178.59 3k1f h PRO 551 N 6.76 0.00 -0.84 4.34 0.13 -2.01 -3.40 132.00 136.99 3k1f h PRO 551 Ca -0.41 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.92 3k1f h PRO 551 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 3k1f h PRO 551 CO 0.76 0.12 0.30 1.98 -0.23 0.00 0.00 178.00 180.93 3k1f h MET 552 N 0.00 0.34 -0.94 0.86 4.05 -1.98 -1.12 114.93 116.13 3k1f h MET 552 Ca -0.02 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3k1f h MET 552 Cb 1.14 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 3k1f h MET 552 CO 0.02 0.23 0.60 -1.00 0.23 0.00 0.00 176.91 176.99 3k1f h PRO 553 N 0.35 1.26 -0.05 0.39 0.13 -2.01 -1.15 132.00 130.92 3k1f h PRO 553 Ca 0.50 -0.09 -0.20 0.00 -0.87 0.00 0.00 66.00 65.34 3k1f h PRO 553 Cb 0.91 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 3k1f h PRO 553 CO -0.52 0.85 -0.82 0.82 -0.23 0.00 0.00 178.00 178.09 3k1f h ILE 554 N 1.29 1.39 -0.39 -3.56 5.03 -1.72 -2.89 117.51 116.65 3k1f h ILE 554 Ca 0.34 -2.27 -0.05 0.00 -0.12 0.00 0.00 64.86 62.76 3k1f h ILE 554 Cb -0.11 2.24 -0.01 0.00 -3.03 0.00 0.00 36.82 35.90 3k1f h ILE 554 CO -0.07 0.68 0.04 0.40 -0.68 0.00 0.00 178.15 178.52 3k1f h ILE 555 N 0.27 1.25 -0.62 -0.67 2.04 -0.82 -0.76 117.51 118.19 3k1f h ILE 555 Ca -0.05 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 3k1f h ILE 555 Cb 1.43 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3k1f h ILE 555 CO 0.14 0.31 0.13 0.74 0.00 0.00 0.00 178.15 179.47 3k1f h THR 556 N 0.50 1.25 -0.86 -0.27 2.02 -1.28 -1.03 112.91 113.23 3k1f h THR 556 Ca 0.12 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3k1f h THR 556 Cb 0.41 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3k1f h THR 556 CO 0.01 0.35 0.48 0.15 0.37 0.00 0.00 175.52 176.89 3k1f h PHE 557 N 0.94 1.17 0.13 3.16 3.57 -1.39 -1.81 116.94 122.72 3k1f h PHE 557 Ca 0.20 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3k1f h PHE 557 Cb 0.37 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3k1f h PHE 557 CO 0.02 0.81 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.78 3k1f h LEU 558 N 1.20 -0.15 -1.17 0.59 3.38 -0.41 -2.08 115.31 116.67 3k1f h LEU 558 Ca 0.30 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3k1f h LEU 558 Cb 0.01 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3k1f h LEU 558 CO -0.05 0.06 0.57 0.77 0.09 0.00 0.00 178.44 179.88 3k1f h SER 559 N -0.36 0.92 0.54 -0.43 4.64 -1.11 -2.49 113.55 115.26 3k1f h SER 559 Ca -0.02 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 3k1f h SER 559 Cb 0.29 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3k1f h SER 559 CO 0.03 0.63 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.72 3k1f h GLU 560 N 1.07 0.03 -3.74 4.77 3.07 -1.29 -3.40 114.58 115.10 3k1f h GLU 560 Ca 0.35 -0.02 -0.74 0.00 -0.50 0.00 0.00 59.36 58.45 3k1f h GLU 560 Cb 0.05 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 27.66 3k1f h GLU 560 CO -0.11 0.59 -0.15 -1.58 -1.40 0.00 0.00 179.01 176.36 3k1f s TRP 561 N -3.75 3.57 -1.82 4.33 0.52 -0.79 -4.85 118.94 116.15 3k1f s TRP 561 Ca -0.02 -2.33 -0.23 0.00 0.02 0.00 0.00 56.10 53.55 3k1f s TRP 561 Cb 0.13 -3.51 0.22 0.00 -1.15 0.00 0.00 33.47 29.16 3k1f s TRP 561 CO 0.76 -0.92 0.62 0.41 0.02 0.00 0.00 176.95 177.84 3k1f n GLY 562 N 3.79 -0.41 3.07 0.98 0.00 -1.26 -4.87 105.19 106.49 3k1f n GLY 562 Ca 0.10 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3k1f n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k1f s MET 563 N -7.15 2.49 -0.10 1.61 0.00 -1.25 -3.93 119.30 110.97 3k1f s MET 563 Ca 0.81 -0.93 -0.30 0.00 0.00 0.00 0.00 55.69 55.28 3k1f s MET 563 Cb -0.47 -2.56 -0.01 0.00 0.00 0.00 0.00 34.83 31.79 3k1f s MET 563 CO 0.99 -0.35 1.03 -2.00 0.00 0.00 0.00 175.02 174.69 3k1f s GLU 564 N 1.29 4.41 0.31 4.11 2.12 -0.01 -4.74 118.70 126.20 3k1f s GLU 564 Ca 0.00 1.43 -0.29 0.00 0.36 0.00 0.00 54.97 56.47 3k1f s GLU 564 Cb -0.15 -3.54 -0.10 0.00 0.26 0.00 0.00 34.13 30.60 3k1f s GLU 564 CO -0.10 -0.33 1.17 -1.25 -0.54 0.00 0.00 175.26 174.21 3k1f s PRO 565 N 2.03 4.50 0.61 4.30 0.04 -1.26 -0.70 135.00 144.52 3k1f s PRO 565 Ca 0.49 1.92 0.26 0.00 0.04 0.00 0.00 61.00 63.71 3k1f s PRO 565 Cb -0.19 -3.10 1.10 0.00 0.04 0.00 0.00 34.50 32.35 3k1f s PRO 565 CO 0.18 0.04 1.53 1.25 0.04 0.00 0.00 177.00 180.05 3k1f h LEU 566 N 3.56 0.00 -1.12 -3.56 5.85 -1.76 -1.66 115.31 116.61 3k1f h LEU 566 Ca -0.48 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.36 3k1f h LEU 566 Cb 1.22 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 3k1f h LEU 566 CO 0.66 0.00 0.60 -0.33 -0.34 0.00 0.00 178.44 179.03 3k1f h GLU 567 N 0.00 0.89 -1.86 1.25 4.39 -1.89 -3.01 114.58 114.34 3k1f h GLU 567 Ca 0.32 -0.05 -0.54 0.00 0.34 0.00 0.00 59.36 59.42 3k1f h GLU 567 Cb 2.07 -0.20 -0.41 0.00 -0.10 0.00 0.00 28.75 30.11 3k1f h GLU 567 CO -0.00 0.59 -0.83 -0.40 -1.16 0.00 0.00 179.01 177.21 3k1f n ASP 568 N -4.57 3.59 -4.72 1.42 5.75 -0.62 -4.93 116.55 112.47 3k1f n ASP 568 Ca 0.17 -3.47 -0.42 0.00 -0.01 0.00 0.00 54.79 51.06 3k1f n ASP 568 Cb 0.35 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.87 3k1f n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3k1f s TYR 569 N -3.28 3.61 -0.61 2.11 5.04 -1.14 -4.92 117.35 118.16 3k1f s TYR 569 Ca 0.45 1.59 -0.16 0.00 -2.44 0.00 0.00 57.07 56.51 3k1f s TYR 569 Cb 0.35 -3.21 0.14 0.00 0.35 0.00 0.00 41.96 39.59 3k1f s TYR 569 CO -0.12 -0.39 0.59 0.14 -1.34 0.00 0.00 175.55 174.42 3k1f s VAL 570 N 0.77 5.21 -0.05 3.14 -7.23 -1.26 -5.00 120.40 115.98 3k1f s VAL 570 Ca 0.53 -1.59 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 3k1f s VAL 570 Cb -0.24 -4.39 -0.14 0.00 0.56 0.00 0.00 36.38 32.16 3k1f s VAL 570 CO 0.29 -0.95 0.79 -0.65 -0.31 0.00 0.00 175.10 174.27 3k1f h PRO 571 N 8.75 -0.26 -0.43 4.82 0.11 -1.91 -3.02 132.00 140.06 3k1f h PRO 571 Ca -0.22 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.79 3k1f h PRO 571 Cb 1.09 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3k1f h PRO 571 CO 1.00 0.10 -0.20 1.12 -0.21 0.00 0.00 178.00 179.81 3k1f h HIS 572 N -0.92 1.02 -0.69 0.65 2.07 -1.92 -3.27 115.15 112.09 3k1f h HIS 572 Ca -0.03 -0.25 -0.02 0.00 -2.85 0.00 0.00 60.37 57.22 3k1f h HIS 572 Cb 0.49 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 30.20 3k1f h HIS 572 CO 0.07 1.04 0.34 0.37 -3.07 0.00 0.00 177.93 176.67 3k1f h GLN 573 N 0.72 0.98 -6.45 5.12 4.15 -1.89 -3.41 115.11 114.33 3k1f h GLN 573 Ca 0.10 -0.14 -0.57 0.00 0.77 0.00 0.00 58.65 58.81 3k1f h GLN 573 Cb 0.76 -0.18 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 3k1f h GLN 573 CO 0.06 0.77 0.82 -1.12 -1.93 0.00 0.00 178.83 177.43 3k1f s SER 574 N -6.08 6.71 0.00 -0.69 0.01 -1.14 -4.98 113.70 107.54 3k1f s SER 574 Ca -0.13 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.75 3k1f s SER 574 Cb 0.14 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.84 3k1f s SER 574 CO 0.80 -1.07 0.08 -0.81 0.41 0.00 0.00 173.24 172.65 3k1f n PRO 575 N 7.34 0.00 -2.30 12.44 -0.05 -1.26 -4.42 135.00 146.75 3k1f n PRO 575 Ca 0.11 0.35 -0.43 0.00 -0.05 0.00 0.00 63.50 63.48 3k1f n PRO 575 Cb 0.48 -0.89 0.00 0.00 -0.05 0.00 0.00 33.50 33.04 3k1f n PRO 575 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3k1f n ASP 576 N -1.54 4.66 -4.51 3.54 8.00 -1.26 -4.93 116.55 120.51 3k1f n ASP 576 Ca 0.00 -2.95 -0.43 0.00 0.71 0.00 0.00 54.79 52.13 3k1f n ASP 576 Cb 0.00 -1.63 -0.02 0.00 -0.02 0.00 0.00 41.12 39.45 3k1f n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1f s ALA 577 N 2.57 3.20 -0.76 2.24 0.00 -1.26 -4.76 121.76 122.98 3k1f s ALA 577 Ca 0.47 -2.68 -0.26 0.00 0.00 0.00 0.00 51.96 49.48 3k1f s ALA 577 Cb 0.07 -4.34 0.02 0.00 0.00 0.00 0.00 23.12 18.87 3k1f s ALA 577 CO -0.01 -3.25 1.49 0.99 0.00 0.00 0.00 175.76 174.98 3k1f s THR 578 N 3.65 3.64 0.34 0.00 2.01 -1.19 -4.87 115.64 119.22 3k1f s THR 578 Ca 0.43 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 3k1f s THR 578 Cb -0.01 -4.64 -0.11 0.00 0.01 0.00 0.00 72.50 67.74 3k1f s THR 578 CO -0.06 -1.58 1.55 0.00 -0.69 0.00 0.00 174.62 173.84 3k1f s ARG 579 N 6.03 4.11 -0.30 4.92 1.70 -0.89 -1.67 118.95 132.84 3k1f s ARG 579 Ca 0.47 2.59 -0.06 0.00 -0.47 0.00 0.00 55.73 58.25 3k1f s ARG 579 Cb -0.08 -2.99 0.02 0.00 -0.57 0.00 0.00 34.95 31.33 3k1f s ARG 579 CO 0.12 -0.59 0.08 0.08 -1.08 0.00 0.00 175.30 173.90 3k1f s VAL 580 N -0.57 3.82 -0.18 4.99 1.01 -0.04 -1.09 120.40 128.34 3k1f s VAL 580 Ca 0.58 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3k1f s VAL 580 Cb -0.47 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3k1f s VAL 580 CO 0.56 0.01 -0.13 -0.36 0.00 0.00 0.00 175.10 175.18 3k1f s PHE 581 N 1.46 2.83 -0.24 5.22 0.40 -0.24 -1.61 117.98 125.80 3k1f s PHE 581 Ca 0.01 -1.11 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 3k1f s PHE 581 Cb -0.18 -1.95 0.05 0.00 0.51 0.00 0.00 43.02 41.44 3k1f s PHE 581 CO 0.02 -0.55 -0.11 0.08 0.70 0.00 0.00 175.22 175.36 3k1f s VAL 582 N 1.07 2.31 -1.26 -0.44 1.01 -0.38 -0.02 120.40 122.70 3k1f s VAL 582 Ca -0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 3k1f s VAL 582 Cb -0.15 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 3k1f s VAL 582 CO -0.03 0.13 0.77 0.59 0.00 0.00 0.00 175.10 176.56 3k1f n ASN 583 N 4.52 -1.84 -3.51 3.32 3.02 0.10 -2.66 115.26 118.21 3k1f n ASN 583 Ca -0.16 -0.78 -0.24 0.00 -0.03 0.00 0.00 54.58 53.37 3k1f n ASN 583 Cb 0.45 -4.30 0.07 0.00 -0.61 0.00 0.00 39.78 35.39 3k1f n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k1f n GLY 584 N -1.47 -0.54 2.84 7.41 0.00 -1.26 -4.82 105.19 107.34 3k1f n GLY 584 Ca -0.28 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 3k1f n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 585 N -3.29 0.62 -0.58 1.61 1.01 -1.09 -4.83 120.40 113.85 3k1f s VAL 585 Ca 0.54 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 3k1f s VAL 585 Cb -0.24 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3k1f s VAL 585 CO 0.67 0.29 1.29 0.86 0.00 0.00 0.00 175.10 178.21 3k1f s TRP 586 N 1.67 2.45 -0.11 5.22 -0.11 -1.26 -1.24 118.94 125.56 3k1f s TRP 586 Ca 0.02 0.41 0.16 0.00 1.22 0.00 0.00 56.10 57.90 3k1f s TRP 586 Cb -0.13 -4.47 -0.21 0.00 -1.50 0.00 0.00 33.47 27.16 3k1f s TRP 586 CO -0.05 -1.78 0.56 0.72 -4.62 0.00 0.00 176.95 171.77 3k1f n HIS 587 N 8.97 0.67 -1.57 5.86 8.25 -0.63 -4.85 115.22 131.91 3k1f n HIS 587 Ca 0.10 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 3k1f n HIS 587 Cb 0.49 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.54 3k1f n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k1f n GLY 588 N 1.53 -1.33 3.45 -1.41 0.00 -1.24 -2.20 105.19 103.98 3k1f n GLY 588 Ca -0.18 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 3k1f n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 589 N -2.50 2.66 -0.06 1.61 1.01 0.13 -0.86 120.40 122.39 3k1f s VAL 589 Ca 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.55 3k1f s VAL 589 Cb 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3k1f s VAL 589 CO 0.00 0.18 -0.14 -2.28 0.00 0.00 0.00 175.10 172.86 3k1f s HIS 590 N -1.04 1.58 0.02 5.22 5.04 -0.67 -0.83 115.29 124.60 3k1f s HIS 590 Ca 0.16 -0.56 -0.21 0.00 -1.54 0.00 0.00 55.06 52.90 3k1f s HIS 590 Cb -0.10 -1.12 -0.17 0.00 0.04 0.00 0.00 32.58 31.22 3k1f s HIS 590 CO 0.07 -0.26 1.26 0.00 -2.34 0.00 0.00 174.74 173.47 3k1f h ARG 591 N 6.80 0.31 -3.26 2.88 2.47 -1.86 -3.15 114.38 118.56 3k1f h ARG 591 Ca -0.30 -0.20 -0.69 0.00 -1.26 0.00 0.00 59.98 57.53 3k1f h ARG 591 Cb 1.19 0.03 -0.37 0.00 -1.65 0.00 0.00 29.97 29.17 3k1f h ARG 591 CO 0.48 0.80 -0.20 1.21 0.56 0.00 0.00 179.97 182.81 3k1f s ASN 592 N -6.20 5.73 0.04 7.04 3.84 -1.26 -4.92 114.94 119.21 3k1f s ASN 592 Ca -0.14 -3.76 -0.26 0.00 0.21 0.00 0.00 52.86 48.91 3k1f s ASN 592 Cb 0.04 -1.85 -0.17 0.00 -0.55 0.00 0.00 41.25 38.72 3k1f s ASN 592 CO 0.75 -0.16 1.48 1.55 -2.79 0.00 0.00 177.10 177.94 3k1f h PRO 593 N 5.86 -0.30 -1.00 0.43 0.13 -1.96 -2.97 132.00 132.19 3k1f h PRO 593 Ca 0.16 0.02 0.24 0.00 -0.87 0.00 0.00 66.00 65.54 3k1f h PRO 593 Cb 0.80 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 31.87 3k1f h PRO 593 CO 0.82 -0.07 0.59 0.00 -0.23 0.00 0.00 178.00 179.12 3k1f h ALA 594 N 0.22 1.76 0.02 -0.56 0.00 -1.99 -0.62 119.26 118.10 3k1f h ALA 594 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k1f h ALA 594 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k1f h ALA 594 CO 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 3k1f h ARG 595 N 0.60 -0.03 -0.55 0.00 2.47 -1.98 -1.26 114.38 113.63 3k1f h ARG 595 Ca 0.63 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 59.28 3k1f h ARG 595 Cb 1.17 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 3k1f h ARG 595 CO -0.47 0.35 0.06 1.25 0.56 0.00 0.00 179.97 181.72 3k1f h LEU 596 N -0.40 0.86 -0.46 3.04 5.85 -1.24 0.00 115.31 122.95 3k1f h LEU 596 Ca -0.00 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 3k1f h LEU 596 Cb 0.39 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3k1f h LEU 596 CO 0.00 0.88 0.01 -0.03 -0.34 0.00 0.00 178.44 178.97 3k1f h MET 597 N 0.84 0.81 -0.32 1.25 4.05 -1.18 -0.24 114.93 120.14 3k1f h MET 597 Ca 0.17 -0.25 -0.07 0.00 -0.28 0.00 0.00 59.70 59.27 3k1f h MET 597 Cb 0.42 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 3k1f h MET 597 CO 0.01 0.86 -0.08 1.49 0.23 0.00 0.00 176.91 179.42 3k1f h GLU 598 N 0.66 0.52 -0.03 0.39 4.81 -0.93 -0.36 114.58 119.64 3k1f h GLU 598 Ca 0.13 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3k1f h GLU 598 Cb 0.49 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3k1f h GLU 598 CO 0.02 0.61 -0.02 1.15 -0.73 0.00 0.00 179.01 180.05 3k1f h THR 599 N 0.49 1.34 -0.38 0.32 2.02 -0.77 -3.22 112.91 112.71 3k1f h THR 599 Ca 0.10 -1.03 -0.15 0.00 0.77 0.00 0.00 66.41 66.10 3k1f h THR 599 Cb 0.45 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 3k1f h THR 599 CO 0.02 0.27 -0.33 -0.07 0.37 0.00 0.00 175.52 175.78 3k1f h LEU 600 N -0.34 0.92 -0.35 2.58 3.38 -0.92 -1.90 115.31 118.69 3k1f h LEU 600 Ca 0.01 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.63 3k1f h LEU 600 Cb 0.45 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3k1f h LEU 600 CO 0.01 1.17 0.09 -0.09 0.09 0.00 0.00 178.44 179.70 3k1f h ARG 601 N 0.73 0.21 0.00 1.13 2.43 -1.16 -0.69 114.38 117.03 3k1f h ARG 601 Ca 0.07 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3k1f h ARG 601 Cb 0.90 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3k1f h ARG 601 CO 0.08 0.14 -0.46 1.79 -1.51 0.00 0.00 179.97 180.01 3k1f h THR 602 N 0.22 0.91 -0.46 0.20 1.35 -1.60 -1.37 112.91 112.16 3k1f h THR 602 Ca 0.16 -1.93 -0.05 0.00 -0.55 0.00 0.00 66.41 64.04 3k1f h THR 602 Cb 0.17 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 3k1f h THR 602 CO -0.20 0.45 0.08 0.25 -0.25 0.00 0.00 175.52 175.86 3k1f h LEU 603 N 0.00 0.73 -0.20 3.87 7.12 -0.65 -1.53 115.31 124.65 3k1f h LEU 603 Ca -0.00 -0.26 -0.22 0.00 0.13 0.00 0.00 57.88 57.53 3k1f h LEU 603 Cb 1.16 -0.19 0.01 0.00 -0.53 0.00 0.00 40.66 41.11 3k1f h LEU 603 CO 0.06 0.80 -0.79 -0.09 -0.13 0.00 0.00 178.44 178.29 3k1f h ARG 604 N 0.63 0.71 -1.00 1.25 1.12 -1.13 -2.87 114.38 113.08 3k1f h ARG 604 Ca 0.14 -0.60 0.06 0.00 -1.11 0.00 0.00 59.98 58.47 3k1f h ARG 604 Cb 0.38 0.13 -0.06 0.00 -0.01 0.00 0.00 29.97 30.40 3k1f h ARG 604 CO 0.01 1.21 0.65 0.00 -3.11 0.00 0.00 179.97 178.72 3k1f h ARG 605 N 0.48 1.17 0.00 0.20 3.08 -1.00 -1.25 114.38 117.06 3k1f h ARG 605 Ca -0.05 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 3k1f h ARG 605 Cb 1.41 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3k1f h ARG 605 CO 0.16 0.77 -0.42 -0.22 -1.07 0.00 0.00 179.97 179.19 3k1f h LYS 606 N 1.20 0.00 0.00 0.04 3.64 -1.34 -2.91 116.57 117.21 3k1f h LYS 606 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3k1f h LYS 606 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3k1f h LYS 606 CO -0.16 0.42 0.00 0.41 -2.27 0.00 0.00 179.45 177.86 3k1f n GLY 607 N 0.42 0.81 0.23 5.01 0.00 -0.47 -4.73 105.19 106.45 3k1f n GLY 607 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3k1f n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k1f h ASP 608 N 0.00 0.20 -3.19 1.61 3.32 -1.75 -3.40 116.42 113.22 3k1f h ASP 608 Ca 0.00 -0.05 -0.67 0.00 0.02 0.00 0.00 57.03 56.33 3k1f h ASP 608 Cb 0.00 -0.05 -0.33 0.00 0.22 0.00 0.00 39.33 39.17 3k1f h ASP 608 CO 0.00 0.39 -0.84 0.27 -1.72 0.00 0.00 179.24 177.35 3k1f s ILE 609 N -4.65 2.32 -0.07 0.35 -4.36 -1.23 -5.05 121.20 108.51 3k1f s ILE 609 Ca -0.05 -0.87 -0.07 0.00 -0.26 0.00 0.00 60.65 59.40 3k1f s ILE 609 Cb 0.15 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.86 3k1f s ILE 609 CO 0.73 0.53 0.22 -3.20 0.24 0.00 0.00 174.94 173.46 3k1f n ASN 610 N 4.33 0.17 0.28 4.36 2.85 -1.26 -4.38 115.26 121.60 3k1f n ASN 610 Ca -0.20 0.17 0.19 0.00 -0.11 0.00 0.00 54.58 54.63 3k1f n ASN 610 Cb 0.51 -0.12 0.92 0.00 1.24 0.00 0.00 39.78 42.33 3k1f n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k1f h PRO 611 N 0.70 0.00 -0.10 1.20 0.11 -1.87 -2.92 132.00 129.12 3k1f h PRO 611 Ca -0.06 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 3k1f h PRO 611 Cb 0.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.31 3k1f h PRO 611 CO 0.14 0.00 -0.45 1.49 -0.21 0.00 0.00 178.00 178.96 3k1f h GLU 612 N 0.00 0.48 -5.45 1.05 4.81 -1.90 -3.39 114.58 110.19 3k1f h GLU 612 Ca 0.00 -0.39 -0.77 0.00 -0.13 0.00 0.00 59.36 58.07 3k1f h GLU 612 Cb 0.18 0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.66 3k1f h GLU 612 CO 0.00 1.02 0.43 0.28 -0.73 0.00 0.00 179.01 180.01 3k1f n VAL 613 N -4.28 0.00 -3.08 0.32 0.31 -1.10 -4.86 118.33 105.64 3k1f n VAL 613 Ca -0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 3k1f n VAL 613 Cb 0.57 -0.30 -0.06 0.00 -0.91 0.00 0.00 33.84 33.14 3k1f n VAL 613 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3k1f s SER 614 N 1.80 7.02 -0.21 4.52 0.15 -0.08 -4.94 113.70 121.96 3k1f s SER 614 Ca 0.91 1.43 -0.04 0.00 0.70 0.00 0.00 55.95 58.95 3k1f s SER 614 Cb -1.29 -2.42 0.11 0.00 -1.71 0.00 0.00 66.02 60.70 3k1f s SER 614 CO 0.67 -0.03 0.27 0.00 1.20 0.00 0.00 173.24 175.35 3k1f s MET 615 N -2.20 0.24 -0.00 5.44 0.23 -1.26 -1.29 119.30 120.46 3k1f s MET 615 Ca 0.46 0.31 0.06 0.00 -1.03 0.00 0.00 55.69 55.50 3k1f s MET 615 Cb -0.15 -0.97 -0.02 0.00 -1.53 0.00 0.00 34.83 32.16 3k1f s MET 615 CO 0.20 -0.65 -0.20 0.42 -2.03 0.00 0.00 175.02 172.76 3k1f s ILE 616 N 2.40 1.60 -0.11 3.16 1.01 -0.14 -4.91 121.20 124.21 3k1f s ILE 616 Ca 0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3k1f s ILE 616 Cb -0.16 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.00 3k1f s ILE 616 CO -0.13 0.38 -0.03 -0.60 0.00 0.00 0.00 174.94 174.57 3k1f s ARG 617 N -0.65 1.01 -0.19 2.79 3.00 -1.26 -1.52 118.95 122.13 3k1f s ARG 617 Ca 0.08 -0.14 -0.03 0.00 -1.00 0.00 0.00 55.73 54.64 3k1f s ARG 617 Cb -0.08 -1.41 -0.01 0.00 0.00 0.00 0.00 34.95 33.45 3k1f s ARG 617 CO -0.00 -0.34 -0.07 0.34 0.00 0.00 0.00 175.30 175.22 3k1f s ASP 618 N 1.83 4.17 -0.04 -2.12 -1.08 -0.57 -4.95 116.67 113.92 3k1f s ASP 618 Ca 0.04 -0.38 -0.26 0.00 -0.52 0.00 0.00 52.55 51.43 3k1f s ASP 618 Cb -0.13 -1.69 -0.21 0.00 -1.46 0.00 0.00 42.92 39.43 3k1f s ASP 618 CO -0.07 0.03 1.15 0.40 0.52 0.00 0.00 175.17 177.21 3k1f h ILE 619 N 5.62 1.39 -0.23 4.11 5.03 -1.97 -1.07 117.51 130.39 3k1f h ILE 619 Ca -0.38 -1.32 0.07 0.00 -0.12 0.00 0.00 64.86 63.11 3k1f h ILE 619 Cb 1.17 2.27 -0.01 0.00 -3.03 0.00 0.00 36.82 37.22 3k1f h ILE 619 CO 0.60 0.34 0.30 0.03 -0.68 0.00 0.00 178.15 178.74 3k1f h ARG 620 N -0.61 0.00 -0.00 2.37 3.08 -1.99 -2.46 114.38 114.77 3k1f h ARG 620 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k1f h ARG 620 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3k1f h ARG 620 CO 0.01 0.00 -0.01 -1.91 -1.07 0.00 0.00 179.97 176.99 3k1f n GLU 621 N -3.60 2.73 -3.42 0.04 2.13 -1.25 -5.05 120.64 112.23 3k1f n GLU 621 Ca 0.03 -0.28 -0.20 0.00 0.66 0.00 0.00 57.16 57.37 3k1f n GLU 621 Cb 0.43 -0.78 0.06 0.00 0.27 0.00 0.00 31.44 31.43 3k1f n GLU 621 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3k1f n LYS 622 N -0.46 -2.65 -4.40 5.31 5.02 -0.44 -4.93 118.16 115.60 3k1f n LYS 622 Ca 0.00 0.74 -0.22 0.00 -2.02 0.00 0.00 58.31 56.81 3k1f n LYS 622 Cb 0.01 -5.35 -0.13 0.00 -0.02 0.00 0.00 35.03 29.54 3k1f n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3k1f s GLU 623 N -5.03 1.10 -0.36 1.97 2.02 -0.99 -2.09 118.70 115.33 3k1f s GLU 623 Ca 0.38 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.44 3k1f s GLU 623 Cb -0.08 -1.20 0.11 0.00 0.10 0.00 0.00 34.13 33.07 3k1f s GLU 623 CO 0.78 0.29 0.15 -1.17 0.02 0.00 0.00 175.26 175.33 3k1f s LEU 624 N -1.40 2.48 -0.23 1.80 2.96 -0.25 -1.51 118.68 122.52 3k1f s LEU 624 Ca 0.04 -2.04 -0.11 0.00 -0.22 0.00 0.00 54.13 51.80 3k1f s LEU 624 Cb -0.09 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 3k1f s LEU 624 CO 0.02 -0.36 0.17 -0.54 -1.32 0.00 0.00 176.35 174.32 3k1f s LYS 625 N 1.11 4.09 -0.06 1.98 1.02 -0.57 -1.08 119.74 126.23 3k1f s LYS 625 Ca 0.13 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 55.94 3k1f s LYS 625 Cb -0.20 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3k1f s LYS 625 CO -0.14 0.09 -0.24 0.42 -0.92 0.00 0.00 175.35 174.56 3k1f s ILE 626 N 0.97 1.99 0.01 2.17 1.09 0.98 -0.96 121.20 127.44 3k1f s ILE 626 Ca 0.08 -1.02 0.06 0.00 -1.10 0.00 0.00 60.65 58.67 3k1f s ILE 626 Cb -0.13 -1.69 -0.02 0.00 -1.06 0.00 0.00 42.46 39.56 3k1f s ILE 626 CO 0.04 0.55 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.89 3k1f s PHE 627 N -0.08 1.62 0.00 3.97 0.40 -0.41 -0.72 117.98 122.76 3k1f s PHE 627 Ca -0.05 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3k1f s PHE 627 Cb -0.14 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.38 3k1f s PHE 627 CO 0.04 0.02 0.30 -2.37 0.70 0.00 0.00 175.22 173.91 3k1f n THR 628 N 2.32 0.05 -1.36 0.64 5.66 -1.26 -0.91 114.28 119.42 3k1f n THR 628 Ca -0.16 -0.27 -0.38 0.00 -3.05 0.00 0.00 64.05 60.19 3k1f n THR 628 Cb 0.54 1.43 0.03 0.00 -1.55 0.00 0.00 70.33 70.77 3k1f n THR 628 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3k1f n ASP 629 N -0.03 -2.16 -4.53 1.09 2.03 -1.26 -1.47 116.55 110.23 3k1f n ASP 629 Ca 0.00 0.68 -0.38 0.00 0.52 0.00 0.00 54.79 55.61 3k1f n ASP 629 Cb 0.15 -1.04 -0.11 0.00 -0.72 0.00 0.00 41.12 39.40 3k1f n ASP 629 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1f s ALA 630 N -1.85 3.42 0.00 -1.67 0.00 -1.26 -4.13 121.76 116.27 3k1f s ALA 630 Ca 0.63 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3k1f s ALA 630 Cb -0.45 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3k1f s ALA 630 CO 0.60 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3k1f n GLY 631 N 5.03 0.54 3.68 0.00 0.00 -1.01 -4.78 105.19 108.65 3k1f n GLY 631 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3k1f n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1f s ARG 632 N 0.00 4.37 -0.24 1.61 0.52 -1.26 -0.93 118.95 123.02 3k1f s ARG 632 Ca 0.00 1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 56.38 3k1f s ARG 632 Cb 0.00 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 3k1f s ARG 632 CO 0.00 -0.41 0.67 0.08 0.02 0.00 0.00 175.30 175.66 3k1f s VAL 633 N 2.37 4.96 0.22 3.52 1.01 -1.26 -0.92 120.40 130.30 3k1f s VAL 633 Ca 0.47 1.22 0.11 0.00 0.00 0.00 0.00 61.98 63.78 3k1f s VAL 633 Cb -0.17 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3k1f s VAL 633 CO 0.14 0.02 -0.21 -0.72 0.00 0.00 0.00 175.10 174.33 3k1f s TYR 634 N 2.49 2.19 -0.02 5.22 -0.85 -0.28 -2.86 117.35 123.24 3k1f s TYR 634 Ca 0.28 -0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.48 3k1f s TYR 634 Cb -0.15 -1.04 -0.00 0.00 0.38 0.00 0.00 41.96 41.15 3k1f s TYR 634 CO 0.08 0.53 -0.12 -0.98 -1.52 0.00 0.00 175.55 173.55 3k1f s ARG 635 N -3.00 1.13 0.22 -3.49 1.70 -0.70 -1.21 118.95 113.60 3k1f s ARG 635 Ca 0.23 -0.40 -0.30 0.00 -0.47 0.00 0.00 55.73 54.79 3k1f s ARG 635 Cb -0.06 -1.05 -0.08 0.00 -0.57 0.00 0.00 34.95 33.19 3k1f s ARG 635 CO 0.11 0.18 1.03 -1.25 -1.08 0.00 0.00 175.30 174.29 3k1f s PRO 636 N 0.02 4.70 0.08 3.89 0.05 -1.26 -2.66 135.00 139.83 3k1f s PRO 636 Ca -0.01 1.64 0.03 0.00 0.05 0.00 0.00 61.00 62.71 3k1f s PRO 636 Cb -0.08 -3.27 -0.03 0.00 0.05 0.00 0.00 34.50 31.17 3k1f s PRO 636 CO 0.00 0.27 -0.10 -0.51 0.05 0.00 0.00 177.00 176.72 3k1f s LEU 637 N -0.88 2.37 0.21 -3.56 1.43 -0.33 -4.79 118.68 113.14 3k1f s LEU 637 Ca 0.45 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 3k1f s LEU 637 Cb -0.28 -0.27 -0.08 0.00 0.03 0.00 0.00 46.19 45.59 3k1f s LEU 637 CO 0.35 -0.25 1.12 -0.36 0.23 0.00 0.00 176.35 177.44 3k1f s PHE 638 N -2.19 3.55 -0.06 0.29 2.99 -0.30 -0.83 117.98 121.44 3k1f s PHE 638 Ca 0.02 1.60 -0.23 0.00 0.00 0.00 0.00 56.93 58.31 3k1f s PHE 638 Cb -0.04 -3.31 -0.04 0.00 0.00 0.00 0.00 43.02 39.63 3k1f s PHE 638 CO -0.00 -0.71 0.70 0.42 -0.00 0.00 0.00 175.22 175.63 3k1f s ILE 639 N -0.52 5.02 0.00 0.64 1.01 0.09 -0.75 121.20 126.69 3k1f s ILE 639 Ca 0.48 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.59 3k1f s ILE 639 Cb -0.31 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.12 3k1f s ILE 639 CO 0.37 0.26 0.00 0.52 0.00 0.00 0.00 174.94 176.10 3k1f n VAL 640 N 3.68 0.00 -1.58 2.92 0.31 -0.27 -1.05 118.33 122.34 3k1f n VAL 640 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3k1f n VAL 640 Cb 0.51 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3k1f n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1f n GLU 641 N -0.73 -4.22 -0.22 5.55 -0.58 -1.15 -3.62 120.64 115.66 3k1f n GLU 641 Ca 0.00 3.25 0.00 0.00 -0.42 0.00 0.00 57.16 59.99 3k1f n GLU 641 Cb 0.00 -3.99 0.00 0.00 -0.57 0.00 0.00 31.44 26.88 3k1f n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3k1f n ASP 642 N -2.30 2.57 0.30 1.62 5.75 -1.26 -3.34 116.55 119.89 3k1f n ASP 642 Ca 0.00 -1.63 0.19 0.00 -0.01 0.00 0.00 54.79 53.34 3k1f n ASP 642 Cb 0.40 -0.53 0.93 0.00 -1.03 0.00 0.00 41.12 40.88 3k1f n ASP 642 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3k1f h ASP 643 N 2.33 0.00 -3.61 -1.12 5.19 -1.80 -3.43 116.42 113.98 3k1f h ASP 643 Ca 0.00 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.80 3k1f h ASP 643 Cb 0.50 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.90 3k1f h ASP 643 CO 0.00 0.01 0.49 -0.70 -3.12 0.00 0.00 179.24 175.92 3k1f s GLU 644 N -3.93 3.56 0.36 3.56 2.56 -1.26 -4.90 118.70 118.65 3k1f s GLU 644 Ca -0.02 0.15 0.22 0.00 0.00 0.00 0.00 54.97 55.32 3k1f s GLU 644 Cb 0.11 -3.90 0.22 0.00 2.00 0.00 0.00 34.13 32.56 3k1f s GLU 644 CO 0.49 -1.10 1.43 0.66 -0.56 0.00 0.00 175.26 176.17 3k1f h SER 645 N 8.89 0.00 -2.43 -1.70 4.64 -1.85 -3.38 113.55 117.72 3k1f h SER 645 Ca -0.24 0.00 -0.80 0.00 -0.47 0.00 0.00 61.79 60.28 3k1f h SER 645 Cb 1.08 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.92 3k1f h SER 645 CO 0.98 0.06 1.14 -0.11 -0.87 0.00 0.00 176.83 178.03 3k1f n LEU 646 N -3.00 6.77 0.00 5.97 0.00 -1.26 -4.91 117.00 120.58 3k1f n LEU 646 Ca 0.02 -5.15 0.00 0.00 0.00 0.00 0.00 56.01 50.89 3k1f n LEU 646 Cb 0.56 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.69 3k1f n LEU 646 CO 0.36 1.74 0.00 0.61 0.00 0.00 0.00 177.39 180.11 3k1f n GLY 647 N 1.28 0.96 0.00 -3.96 0.00 -1.26 -5.09 105.19 97.12 3k1f n GLY 647 Ca 0.35 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3k1f n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3k1f n HIS 648 N 0.00 0.00 -1.91 1.61 1.44 -1.26 -5.07 115.22 110.03 3k1f n HIS 648 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 3k1f n HIS 648 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 3k1f n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3k1f s LYS 649 N -0.56 2.38 0.14 -1.40 2.20 -1.26 -4.15 119.74 117.10 3k1f s LYS 649 Ca 0.00 0.39 0.11 0.00 -0.36 0.00 0.00 55.97 56.11 3k1f s LYS 649 Cb 0.00 -4.71 -0.04 0.00 -1.51 0.00 0.00 37.83 31.57 3k1f s LYS 649 CO 0.00 -3.27 -0.24 -2.00 -0.36 0.00 0.00 175.35 169.48 3k1f s GLU 650 N 7.46 1.51 0.37 4.03 2.56 -1.21 -4.87 118.70 128.54 3k1f s GLU 650 Ca 0.76 -1.36 -0.23 0.00 0.00 0.00 0.00 54.97 54.14 3k1f s GLU 650 Cb -0.11 -1.93 -0.15 0.00 2.00 0.00 0.00 34.13 33.94 3k1f s GLU 650 CO 0.12 0.44 0.27 1.28 -0.56 0.00 0.00 175.26 176.81 3k1f n LEU 651 N 0.71 -1.96 -0.23 2.70 4.77 -1.26 -4.38 117.00 117.35 3k1f n LEU 651 Ca -0.16 0.89 0.14 0.00 -0.03 0.00 0.00 56.01 56.85 3k1f n LEU 651 Cb 0.54 -0.95 0.50 0.00 -2.33 0.00 0.00 43.42 41.19 3k1f n LEU 651 CO 0.26 -3.69 0.78 0.29 -1.33 0.00 0.00 177.39 173.70 3k1f n LYS 652 N 1.12 0.94 -3.98 3.23 5.02 -0.21 -4.79 118.16 119.48 3k1f n LYS 652 Ca 0.12 -0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 55.60 3k1f n LYS 652 Cb 0.37 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 3k1f n LYS 652 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k1f s VAL 653 N -2.39 4.61 0.23 -0.18 1.01 -1.26 -4.79 120.40 117.62 3k1f s VAL 653 Ca 0.29 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3k1f s VAL 653 Cb 0.20 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 3k1f s VAL 653 CO 0.47 0.43 0.08 -0.13 0.00 0.00 0.00 175.10 175.95 3k1f s ARG 654 N 0.69 1.30 0.61 2.72 1.81 -1.26 -4.72 118.95 120.09 3k1f s ARG 654 Ca 0.03 -1.68 0.32 0.00 -1.72 0.00 0.00 55.73 52.67 3k1f s ARG 654 Cb -0.13 -0.16 1.82 0.00 -0.45 0.00 0.00 34.95 36.03 3k1f s ARG 654 CO 0.02 -0.28 2.16 -0.22 -0.68 0.00 0.00 175.30 176.30 3k1f h LYS 655 N 2.51 0.00 -0.13 3.54 1.63 -1.72 -0.72 116.57 121.68 3k1f h LYS 655 Ca -0.37 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.39 3k1f h LYS 655 Cb 1.24 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 3k1f h LYS 655 CO 0.60 0.00 -0.05 0.78 -3.45 0.00 0.00 179.45 177.33 3k1f h GLY 656 N 0.00 0.28 1.36 5.01 0.00 -1.66 -0.62 103.07 107.44 3k1f h GLY 656 Ca 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3k1f h GLY 656 CO -0.00 0.22 0.13 0.45 0.00 0.00 0.00 176.54 177.34 3k1f h HIS 657 N -0.07 0.82 0.17 5.60 3.86 -1.35 -1.51 115.15 122.68 3k1f h HIS 657 Ca 0.03 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 3k1f h HIS 657 Cb 0.49 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3k1f h HIS 657 CO 0.06 0.69 -0.08 0.82 0.86 0.00 0.00 177.93 180.28 3k1f h ILE 658 N 0.78 0.95 -0.28 2.45 5.03 -1.25 -3.06 117.51 122.12 3k1f h ILE 658 Ca 0.17 -0.80 0.05 0.00 -0.12 0.00 0.00 64.86 64.17 3k1f h ILE 658 Cb 0.28 1.41 -0.01 0.00 -3.03 0.00 0.00 36.82 35.46 3k1f h ILE 658 CO -0.00 0.18 0.20 0.00 -0.68 0.00 0.00 178.15 177.84 3k1f h ALA 659 N 0.08 2.08 -0.71 1.87 0.00 -1.03 -1.30 119.26 120.24 3k1f h ALA 659 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3k1f h ALA 659 Cb 0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3k1f h ALA 659 CO 0.04 -0.14 0.27 0.87 0.00 0.00 0.00 179.25 180.29 3k1f h LYS 660 N 0.15 1.05 -0.04 0.00 1.57 -1.26 -3.02 116.57 115.02 3k1f h LYS 660 Ca 0.13 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3k1f h LYS 660 Cb 0.32 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3k1f h LYS 660 CO -0.02 0.86 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.53 3k1f h LEU 661 N 1.03 0.19 -1.78 2.94 3.38 -1.14 -3.26 115.31 116.66 3k1f h LEU 661 Ca 0.24 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3k1f h LEU 661 Cb 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3k1f h LEU 661 CO -0.02 0.76 0.00 0.24 0.09 0.00 0.00 178.44 179.52 3k1f h MET 662 N -0.38 0.00 -0.10 1.13 2.86 -1.49 0.08 114.93 117.03 3k1f h MET 662 Ca -0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 3k1f h MET 662 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3k1f h MET 662 CO 0.03 0.00 -0.78 0.00 1.06 0.00 0.00 176.91 177.21 3k1f h ALA 663 N 2.03 0.44 -0.16 6.32 0.00 -1.56 -0.42 119.26 125.90 3k1f h ALA 663 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 54.08 3k1f h ALA 663 Cb 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k1f h ALA 663 CO 0.00 0.73 -0.73 1.15 0.00 0.00 0.00 179.25 180.41 3k1f h THR 664 N 0.38 1.29 0.00 0.00 2.02 -1.12 -2.78 112.91 112.71 3k1f h THR 664 Ca -0.05 -1.95 -0.06 0.00 0.77 0.00 0.00 66.41 65.12 3k1f h THR 664 Cb 1.39 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 3k1f h THR 664 CO 0.15 0.62 -0.28 -0.33 0.37 0.00 0.00 175.52 176.05 3k1f h GLU 665 N 0.52 0.00 -0.08 6.66 5.08 -1.25 -3.08 114.58 122.42 3k1f h GLU 665 Ca -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3k1f h GLU 665 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3k1f h GLU 665 CO 0.15 0.28 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.36 3k1f h TYR 666 N 0.00 0.31 -0.61 4.33 3.20 -0.98 -3.26 116.97 119.97 3k1f h TYR 666 Ca -0.00 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 61.83 3k1f h TYR 666 Cb 0.55 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3k1f h TYR 666 CO 0.00 0.75 0.41 1.96 -1.64 0.00 0.00 178.16 179.64 3k1f h GLN 667 N -0.21 0.51 0.10 1.82 4.20 -1.41 -3.51 115.11 116.61 3k1f h GLN 667 Ca 0.00 -0.03 -0.34 0.00 0.06 0.00 0.00 58.65 58.34 3k1f h GLN 667 Cb 0.73 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3k1f h GLN 667 CO 0.03 0.34 -1.87 -0.25 -0.67 0.00 0.00 178.83 176.41 3k1f n ASP 668 N -4.48 2.08 -0.42 1.46 10.43 -1.18 -5.13 116.55 119.31 3k1f n ASP 668 Ca 0.09 0.25 0.05 0.00 2.57 0.00 0.00 54.79 57.76 3k1f n ASP 668 Cb 0.29 -0.89 0.04 0.00 1.84 0.00 0.00 41.12 42.41 3k1f n ASP 668 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3k1f n GLU 678 N -3.66 0.60 -4.01 -1.24 0.28 -1.26 -5.05 120.64 106.30 3k1f n GLU 678 Ca -0.32 -1.11 -0.31 0.00 -0.16 0.00 0.00 57.16 55.26 3k1f n GLU 678 Cb 0.98 -1.20 -0.15 0.00 1.43 0.00 0.00 31.44 32.50 3k1f n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3k1f s TYR 679 N -0.93 3.65 0.51 -1.84 5.04 -1.26 -5.07 117.35 117.45 3k1f s TYR 679 Ca 0.12 -3.04 -0.07 0.00 -2.44 0.00 0.00 57.07 51.64 3k1f s TYR 679 Cb 0.09 -2.91 0.11 0.00 0.35 0.00 0.00 41.96 39.61 3k1f s TYR 679 CO 0.14 -0.91 0.69 0.25 -1.34 0.00 0.00 175.55 174.39 3k1f n THR 680 N 4.02 0.00 0.10 4.34 -2.24 -1.26 -4.64 114.28 114.59 3k1f n THR 680 Ca 0.04 -0.62 -0.19 0.00 -2.27 0.00 0.00 64.05 61.01 3k1f n THR 680 Cb 0.40 -1.59 -0.15 0.00 -2.10 0.00 0.00 70.33 66.90 3k1f n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3k1f h TRP 681 N -1.22 0.63 -0.71 4.78 2.91 -1.96 -3.31 115.95 117.08 3k1f h TRP 681 Ca -0.23 -0.46 0.05 0.00 1.13 0.00 0.00 58.89 59.38 3k1f h TRP 681 Cb 0.66 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.24 3k1f h TRP 681 CO 0.00 1.42 0.46 1.03 -1.03 0.00 0.00 178.44 180.32 3k1f h SER 682 N 0.09 0.69 -0.57 2.65 0.87 -1.95 -1.44 113.55 113.90 3k1f h SER 682 Ca -0.22 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.25 3k1f h SER 682 Cb 2.05 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 3k1f h SER 682 CO 0.21 0.46 0.03 0.77 -0.53 0.00 0.00 176.83 177.78 3k1f h SER 683 N 0.80 0.98 -0.51 6.23 4.64 -1.95 0.61 113.55 124.34 3k1f h SER 683 Ca 0.29 -0.25 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 3k1f h SER 683 Cb 0.15 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3k1f h SER 683 CO -0.09 1.01 0.02 -0.07 -0.87 0.00 0.00 176.83 176.83 3k1f h LEU 684 N 0.93 0.87 -0.18 5.97 3.38 -1.39 0.14 115.31 125.04 3k1f h LEU 684 Ca 0.18 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3k1f h LEU 684 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3k1f h LEU 684 CO 0.02 0.95 -0.03 0.25 0.09 0.00 0.00 178.44 179.72 3k1f h LEU 685 N 0.76 0.33 -0.81 1.67 5.85 -1.11 -1.58 115.31 120.43 3k1f h LEU 685 Ca 0.15 -0.35 -0.12 0.00 0.84 0.00 0.00 57.88 58.40 3k1f h LEU 685 Cb 0.49 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3k1f h LEU 685 CO 0.02 0.61 -0.57 0.78 -0.34 0.00 0.00 178.44 178.94 3k1f h ASN 686 N 0.06 0.00 0.00 1.25 4.21 -0.84 -2.75 115.58 117.50 3k1f h ASN 686 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3k1f h ASN 686 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 3k1f h ASN 686 CO 0.01 0.57 0.00 -0.62 -1.29 0.00 0.00 177.43 176.10 3k1f n GLU 687 N -3.76 0.94 -3.12 0.81 1.02 0.03 -4.10 120.64 112.47 3k1f n GLU 687 Ca -0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 3k1f n GLU 687 Cb 0.59 -1.22 0.04 0.00 -0.02 0.00 0.00 31.44 30.84 3k1f n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1f n GLY 688 N 0.64 -0.53 0.08 0.62 0.00 -1.04 -4.91 105.19 100.05 3k1f n GLY 688 Ca 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 3k1f n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1f n LEU 689 N -4.20 0.54 -4.07 0.99 4.77 -0.60 -4.83 117.00 109.59 3k1f n LEU 689 Ca -0.09 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 3k1f n LEU 689 Cb 0.61 0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.74 3k1f n LEU 689 CO 0.50 0.23 -0.44 0.68 -1.33 0.00 0.00 177.39 177.03 3k1f s VAL 690 N -2.87 0.84 0.18 4.08 -7.23 -1.19 -0.74 120.40 113.47 3k1f s VAL 690 Ca -0.05 -0.66 0.09 0.00 -1.81 0.00 0.00 61.98 59.54 3k1f s VAL 690 Cb 0.09 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 3k1f s VAL 690 CO 0.83 0.09 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.82 3k1f s GLU 691 N -0.65 1.33 -0.60 4.82 2.12 -0.01 -4.53 118.70 121.19 3k1f s GLU 691 Ca 0.02 -1.45 -0.17 0.00 0.36 0.00 0.00 54.97 53.73 3k1f s GLU 691 Cb -0.06 -1.41 0.13 0.00 0.26 0.00 0.00 34.13 33.05 3k1f s GLU 691 CO 0.00 0.29 0.61 0.71 -0.54 0.00 0.00 175.26 176.33 3k1f s TYR 692 N -2.07 3.22 -0.34 5.30 4.12 -1.26 -1.19 117.35 125.13 3k1f s TYR 692 Ca 0.17 -1.26 -0.25 0.00 0.02 0.00 0.00 57.07 55.76 3k1f s TYR 692 Cb -0.06 -3.88 0.01 0.00 -1.52 0.00 0.00 41.96 36.51 3k1f s TYR 692 CO 0.07 -1.12 0.86 0.42 0.02 0.00 0.00 175.55 175.81 3k1f s ILE 693 N 1.83 4.69 0.79 2.71 1.09 -1.09 -4.90 121.20 126.32 3k1f s ILE 693 Ca 0.08 1.19 -0.11 0.00 -1.10 0.00 0.00 60.65 60.71 3k1f s ILE 693 Cb -0.26 -4.25 0.06 0.00 -1.06 0.00 0.00 42.46 36.96 3k1f s ILE 693 CO 0.03 -0.40 1.09 -0.62 -0.10 0.00 0.00 174.94 174.93 3k1f s ASP 694 N 1.74 4.48 0.34 3.58 3.68 -1.26 -1.73 116.67 127.50 3k1f s ASP 694 Ca 0.35 1.56 0.03 0.00 2.13 0.00 0.00 52.55 56.62 3k1f s ASP 694 Cb -0.13 -2.31 0.62 0.00 -1.45 0.00 0.00 42.92 39.65 3k1f s ASP 694 CO 0.16 -2.01 1.96 0.00 0.13 0.00 0.00 175.17 175.40 3k1f h ALA 695 N -1.11 1.58 0.09 3.66 0.00 -1.88 -2.69 119.26 118.91 3k1f h ALA 695 Ca -0.46 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.15 3k1f h ALA 695 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3k1f h ALA 695 CO 0.55 0.33 -1.43 1.49 0.00 0.00 0.00 179.25 180.19 3k1f h GLU 696 N 0.90 0.18 -1.01 0.00 4.57 -1.89 -3.38 114.58 113.95 3k1f h GLU 696 Ca 0.31 -0.31 0.25 0.00 -1.18 0.00 0.00 59.36 58.43 3k1f h GLU 696 Cb 0.11 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.73 3k1f h GLU 696 CO -0.10 1.15 0.66 1.49 -1.18 0.00 0.00 179.01 181.03 3k1f h GLU 697 N -0.43 0.39 -0.49 1.92 4.81 -1.90 -0.87 114.58 118.01 3k1f h GLU 697 Ca -0.33 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.02 3k1f h GLU 697 Cb 1.68 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.95 3k1f h GLU 697 CO -0.00 0.26 0.55 1.49 -0.73 0.00 0.00 179.01 180.58 3k1f h GLU 698 N 0.40 0.00 0.00 1.92 4.81 -1.65 -1.10 114.58 118.97 3k1f h GLU 698 Ca 0.56 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.79 3k1f h GLU 698 Cb 1.42 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 3k1f h GLU 698 CO -0.26 0.00 -0.03 0.93 -0.73 0.00 0.00 179.01 178.92 3k1f h GLU 699 N 0.00 0.00 0.00 1.92 4.39 -1.40 -3.21 114.58 116.28 3k1f h GLU 699 Ca 0.23 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 3k1f h GLU 699 Cb 1.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3k1f h GLU 699 CO -0.00 0.03 -1.75 -1.13 -1.16 0.00 0.00 179.01 174.99 3k1f n SER 700 N -3.21 1.26 -4.91 1.42 3.41 -0.42 -5.02 113.62 106.15 3k1f n SER 700 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.27 3k1f n SER 700 Cb 0.19 1.73 -0.05 0.00 -0.26 0.00 0.00 64.21 65.83 3k1f n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3k1f s ILE 701 N -3.12 5.40 -0.12 -1.33 -5.25 -1.21 -5.09 121.20 110.46 3k1f s ILE 701 Ca -0.06 -0.21 -0.02 0.00 -0.99 0.00 0.00 60.65 59.37 3k1f s ILE 701 Cb 0.10 -3.58 -0.03 0.00 2.95 0.00 0.00 42.46 41.90 3k1f s ILE 701 CO 0.68 0.25 -0.03 -0.22 -1.79 0.00 0.00 174.94 173.83 3k1f s LEU 702 N -2.17 3.35 -0.06 0.37 2.96 -1.26 -4.95 118.68 116.92 3k1f s LEU 702 Ca 0.31 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 3k1f s LEU 702 Cb -0.13 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3k1f s LEU 702 CO 0.22 0.27 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.76 3k1f s ILE 703 N -0.23 3.18 -0.25 6.68 1.01 -1.25 -1.49 121.20 128.84 3k1f s ILE 703 Ca 0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 3k1f s ILE 703 Cb -0.13 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 3k1f s ILE 703 CO 0.02 0.58 0.16 0.00 0.00 0.00 0.00 174.94 175.71 3k1f s ALA 704 N -0.59 3.55 0.04 9.38 0.00 -0.50 -4.96 121.76 128.67 3k1f s ALA 704 Ca 0.09 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 3k1f s ALA 704 Cb -0.11 -2.34 -0.14 0.00 0.00 0.00 0.00 23.12 20.53 3k1f s ALA 704 CO 0.01 -0.31 1.36 1.98 0.00 0.00 0.00 175.76 178.80 3k1f h MET 705 N 7.80 -0.86 -5.12 0.00 4.05 -1.91 -0.88 114.93 118.01 3k1f h MET 705 Ca -0.37 0.06 -0.63 0.00 -0.28 0.00 0.00 59.70 58.48 3k1f h MET 705 Cb 1.18 0.20 -0.19 0.00 -0.80 0.00 0.00 31.60 31.98 3k1f h MET 705 CO 0.62 -0.57 -0.59 -0.65 0.23 0.00 0.00 176.91 175.94 3k1f s GLN 706 N -4.93 3.82 0.00 0.39 -0.21 -1.26 -4.34 119.66 113.13 3k1f s GLN 706 Ca -0.13 -0.41 -0.25 0.00 0.02 0.00 0.00 55.36 54.59 3k1f s GLN 706 Cb 0.01 -3.27 -0.19 0.00 1.00 0.00 0.00 33.01 30.56 3k1f s GLN 706 CO 0.39 0.05 1.36 -1.00 -2.12 0.00 0.00 175.29 173.97 3k1f h PRO 707 N 7.45 -0.01 -0.05 2.91 0.13 -1.84 0.48 132.00 141.07 3k1f h PRO 707 Ca -0.37 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.78 3k1f h PRO 707 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3k1f h PRO 707 CO 0.63 0.38 0.12 1.05 -0.23 0.00 0.00 178.00 179.95 3k1f h GLU 708 N -0.40 0.00 0.00 0.86 4.11 -1.91 -3.22 114.58 114.02 3k1f h GLU 708 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 3k1f h GLU 708 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3k1f h GLU 708 CO 0.00 0.00 -1.53 -0.25 0.07 0.00 0.00 179.01 177.30 3k1f n ASP 709 N -3.38 2.07 -1.74 3.06 8.00 -1.20 -4.60 116.55 118.75 3k1f n ASP 709 Ca -0.01 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 3k1f n ASP 709 Cb 0.20 -0.21 0.04 0.00 -0.02 0.00 0.00 41.12 41.13 3k1f n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3k1f n LEU 710 N -3.08 5.86 0.03 0.64 4.77 0.17 -3.98 117.00 121.40 3k1f n LEU 710 Ca -0.18 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 3k1f n LEU 710 Cb 0.66 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3k1f n LEU 710 CO 0.05 1.08 -0.06 -0.62 -1.33 0.00 0.00 177.39 176.52 3k1f n GLU 711 N 0.46 0.00 -2.52 3.23 -0.58 -1.22 -4.90 120.64 115.12 3k1f n GLU 711 Ca 0.23 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.59 3k1f n GLU 711 Cb 0.63 -0.07 -0.04 0.00 -0.57 0.00 0.00 31.44 31.39 3k1f n GLU 711 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3k1f s PRO 712 N -2.00 4.34 0.64 3.49 0.04 -1.26 -4.97 135.00 135.29 3k1f s PRO 712 Ca 0.00 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 3k1f s PRO 712 Cb 0.00 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 3k1f s PRO 712 CO 0.00 -0.01 1.16 0.00 0.04 0.00 0.00 177.00 178.19 3k1f s ALA 713 N -1.47 2.43 0.60 8.56 0.00 -1.26 -4.99 121.76 125.63 3k1f s ALA 713 Ca 0.53 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 3k1f s ALA 713 Cb -0.26 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3k1f s ALA 713 CO 0.32 -1.32 1.08 -1.21 0.00 0.00 0.00 175.76 174.64 3k1f s GLU 714 N -3.74 3.21 0.00 0.00 2.02 -1.26 -5.20 118.70 113.72 3k1f s GLU 714 Ca 0.72 1.31 0.00 0.00 0.02 0.00 0.00 54.97 57.03 3k1f s GLU 714 Cb -0.25 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3k1f s GLU 714 CO 0.38 -0.92 0.00 0.00 0.02 0.00 0.00 175.26 174.75 3k1f n ALA 715 N -1.98 0.00 0.00 5.21 0.00 -1.26 -5.28 120.51 117.20 3k1f n ALA 715 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3k1f n ALA 715 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3k1f n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k1f n ASP 722 N 0.00 0.00 -4.18 0.00 8.00 -1.26 -5.38 116.55 113.73 3k1f n ASP 722 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 3k1f n ASP 722 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 3k1f n ASP 722 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k1f s VAL 723 N 0.00 1.56 0.30 2.53 1.01 -1.26 -5.15 120.40 119.39 3k1f s VAL 723 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 3k1f s VAL 723 Cb 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.97 3k1f s VAL 723 CO 0.00 0.44 1.25 -0.62 0.00 0.00 0.00 175.10 176.17 3k1f s ASP 724 N -0.19 6.93 0.13 3.32 2.15 -1.26 -5.00 116.67 122.75 3k1f s ASP 724 Ca 0.01 2.54 -0.14 0.00 0.43 0.00 0.00 52.55 55.39 3k1f s ASP 724 Cb -0.10 -2.64 -0.01 0.00 -0.30 0.00 0.00 42.92 39.87 3k1f s ASP 724 CO 0.01 -0.42 1.57 1.55 -0.17 0.00 0.00 175.17 177.71 3k1f h PRO 725 N 3.73 0.76 0.00 4.34 0.13 -2.02 -3.15 132.00 135.79 3k1f h PRO 725 Ca -0.48 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.37 3k1f h PRO 725 Cb 1.22 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3k1f h PRO 725 CO 0.67 0.85 -0.14 0.00 -0.23 0.00 0.00 178.00 179.15 3k1f h ALA 726 N 0.89 1.11 -2.79 -0.56 0.00 -2.01 -3.45 119.26 112.45 3k1f h ALA 726 Ca 0.12 -0.13 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 3k1f h ALA 726 Cb 0.51 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 18.36 3k1f h ALA 726 CO 0.03 0.18 0.54 0.15 0.00 0.00 0.00 179.25 180.14 3k1f s LYS 727 N -3.89 3.75 0.30 0.00 1.02 -1.19 -4.73 119.74 115.00 3k1f s LYS 727 Ca -0.01 1.94 -0.29 0.00 0.02 0.00 0.00 55.97 57.64 3k1f s LYS 727 Cb 0.11 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.83 3k1f s LYS 727 CO 0.59 -0.61 1.13 -0.98 -0.92 0.00 0.00 175.35 174.56 3k1f s ARG 728 N -2.57 4.53 -0.75 1.68 1.70 -1.26 -4.95 118.95 117.32 3k1f s ARG 728 Ca 0.62 1.85 -0.26 0.00 -0.47 0.00 0.00 55.73 57.47 3k1f s ARG 728 Cb -0.33 -3.09 0.01 0.00 -0.57 0.00 0.00 34.95 30.97 3k1f s ARG 728 CO 0.41 0.09 1.50 0.42 -1.08 0.00 0.00 175.30 176.64 3k1f s ILE 729 N -1.21 3.63 0.77 4.99 1.01 -1.26 -5.02 121.20 124.11 3k1f s ILE 729 Ca 0.47 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 3k1f s ILE 729 Cb -0.32 -4.61 0.05 0.00 0.01 0.00 0.00 42.46 37.59 3k1f s ILE 729 CO 0.42 -1.55 1.10 -0.13 0.00 0.00 0.00 174.94 174.78 3k1f s ARG 730 N 6.09 2.30 0.00 2.79 3.00 -1.26 -5.10 118.95 126.76 3k1f s ARG 730 Ca 0.47 0.56 0.00 0.00 0.00 0.00 0.00 55.73 56.76 3k1f s ARG 730 Cb -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 34.95 32.92 3k1f s ARG 730 CO 0.13 -1.45 0.00 0.28 0.00 0.00 0.00 175.30 174.26 3k1f n VAL 731 N -3.30 0.00 -3.44 3.52 0.31 -1.26 -5.13 118.33 109.03 3k1f n VAL 731 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.29 3k1f n VAL 731 Cb 0.57 -0.01 -0.02 0.00 -0.91 0.00 0.00 33.84 33.47 3k1f n VAL 731 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3k1f s SER 732 N -1.29 -0.53 -1.20 4.52 0.15 -1.26 -5.07 113.70 109.03 3k1f s SER 732 Ca 0.00 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 3k1f s SER 732 Cb 0.00 0.55 0.21 0.00 -1.71 0.00 0.00 66.02 65.06 3k1f s SER 732 CO 0.00 -0.87 2.06 0.00 1.20 0.00 0.00 173.24 175.63 3k1f n HIS 733 N -0.29 2.65 -0.11 3.44 1.44 -1.26 -4.92 115.22 116.17 3k1f n HIS 733 Ca -0.15 -2.71 -0.03 0.00 -2.01 0.00 0.00 57.72 52.82 3k1f n HIS 733 Cb 0.64 -1.59 -0.03 0.00 0.12 0.00 0.00 29.99 29.13 3k1f n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3k1f n HIS 734 N 1.36 -0.12 -4.31 -1.40 8.25 -1.26 -4.75 115.22 112.99 3k1f n HIS 734 Ca 0.51 0.34 -0.16 0.00 -0.26 0.00 0.00 57.72 58.15 3k1f n HIS 734 Cb 0.27 -0.42 -0.10 0.00 1.12 0.00 0.00 29.99 30.86 3k1f n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1f s ALA 735 N -4.35 1.74 -0.35 -1.41 0.00 -1.26 -5.05 121.76 111.08 3k1f s ALA 735 Ca -0.03 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.25 3k1f s ALA 735 Cb 0.03 0.24 0.19 0.00 0.00 0.00 0.00 23.12 23.57 3k1f s ALA 735 CO 0.17 -0.14 2.18 2.41 0.00 0.00 0.00 175.76 180.38 3k1f n THR 736 N -0.34 2.92 0.78 0.00 -1.04 -1.26 -4.24 114.28 111.10 3k1f n THR 736 Ca -0.07 -1.96 0.09 0.00 -2.04 0.00 0.00 64.05 60.07 3k1f n THR 736 Cb 0.62 -1.39 0.03 0.00 -1.82 0.00 0.00 70.33 67.77 3k1f n THR 736 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3k1f n THR 737 N 0.43 0.00 -1.56 12.58 -2.24 -1.26 -4.78 114.28 117.44 3k1f n THR 737 Ca 0.35 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 3k1f n THR 737 Cb 0.58 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 70.05 3k1f n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3k1f n PHE 738 N 0.33 1.62 0.04 4.78 3.01 -1.26 -4.75 117.46 121.23 3k1f n PHE 738 Ca 0.09 0.03 -0.10 0.00 1.01 0.00 0.00 57.45 58.48 3k1f n PHE 738 Cb 0.41 -2.67 -0.13 0.00 -0.01 0.00 0.00 39.48 37.08 3k1f n PHE 738 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3k1f h THR 739 N 7.49 1.31 -3.96 4.37 1.35 -1.84 -3.38 112.91 118.25 3k1f h THR 739 Ca -0.30 -3.05 -0.50 0.00 -0.55 0.00 0.00 66.41 62.01 3k1f h THR 739 Cb 1.26 2.70 -0.22 0.00 -1.73 0.00 0.00 68.15 70.15 3k1f h THR 739 CO 1.08 0.79 -0.81 -1.00 -0.25 0.00 0.00 175.52 175.33 3k1f s HIS 740 N -2.65 1.54 0.08 4.73 3.76 -0.56 -1.11 115.29 121.09 3k1f s HIS 740 Ca -0.03 -0.42 0.10 0.00 -0.15 0.00 0.00 55.06 54.55 3k1f s HIS 740 Cb 0.09 -0.86 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 3k1f s HIS 740 CO 0.83 0.13 -0.27 0.00 -0.85 0.00 0.00 174.74 174.59 3k1f s GLU 742 N -1.60 4.77 -0.01 0.00 2.56 -0.34 -1.15 118.70 122.94 3k1f s GLU 742 Ca 0.13 1.41 -0.05 0.00 0.00 0.00 0.00 54.97 56.46 3k1f s GLU 742 Cb -0.10 -3.30 -0.03 0.00 2.00 0.00 0.00 34.13 32.71 3k1f s GLU 742 CO 0.04 0.47 0.53 0.82 -0.56 0.00 0.00 175.26 176.56 3k1f h ILE 743 N 3.36 0.00 -2.13 -3.70 1.08 -1.86 -3.43 117.51 110.82 3k1f h ILE 743 Ca -0.45 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3k1f h ILE 743 Cb 1.20 0.00 -0.22 0.00 -3.07 0.00 0.00 36.82 34.73 3k1f h ILE 743 CO 0.68 0.00 -0.06 -2.28 -0.69 0.00 0.00 178.15 175.80 3k1f s HIS 744 N -2.37 -1.01 0.50 1.37 2.46 -1.26 -4.91 115.29 110.07 3k1f s HIS 744 Ca -0.02 1.99 0.17 0.00 0.47 0.00 0.00 55.06 57.67 3k1f s HIS 744 Cb 0.00 0.58 1.25 0.00 -0.13 0.00 0.00 32.58 34.28 3k1f s HIS 744 CO 0.07 -0.51 2.11 -1.00 -2.47 0.00 0.00 174.74 172.94 3k1f h PRO 745 N 7.16 0.00 0.00 2.88 0.13 -1.92 -1.90 132.00 138.35 3k1f h PRO 745 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3k1f h PRO 745 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3k1f h PRO 745 CO 0.18 0.06 0.00 -1.13 -0.23 0.00 0.00 178.00 176.88 3k1f n SER 746 N -4.37 0.00 0.06 1.44 3.41 -1.26 -1.40 113.62 111.50 3k1f n SER 746 Ca -0.03 0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 3k1f n SER 746 Cb 0.14 -0.14 0.16 0.00 -0.26 0.00 0.00 64.21 64.11 3k1f n SER 746 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3k1f h MET 747 N 0.00 0.00 0.00 4.33 2.86 -1.77 -3.29 114.93 117.06 3k1f h MET 747 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3k1f h MET 747 Cb 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 3k1f h MET 747 CO 0.00 0.00 -0.12 -0.84 1.06 0.00 0.00 176.91 177.01 3k1f h ILE 748 N 0.00 0.34 -4.21 -1.22 -0.00 -1.44 -3.06 117.51 107.92 3k1f h ILE 748 Ca 0.00 -0.81 -0.50 0.00 -0.00 0.00 0.00 64.86 63.55 3k1f h ILE 748 Cb 0.76 1.61 0.08 0.00 -0.00 0.00 0.00 36.82 39.27 3k1f h ILE 748 CO 0.00 0.12 0.37 -0.76 -0.00 0.00 0.00 178.15 177.89 3k1f s LEU 749 N -6.60 3.42 0.00 0.16 1.43 -1.24 -4.09 118.68 111.76 3k1f s LEU 749 Ca 0.00 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 3k1f s LEU 749 Cb 0.10 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.78 3k1f s LEU 749 CO 0.59 -1.39 0.00 0.61 0.23 0.00 0.00 176.35 176.39 3k1f n GLY 750 N -0.86 0.40 0.39 -3.19 0.00 -1.26 -2.64 105.19 98.02 3k1f n GLY 750 Ca 0.09 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 3k1f n GLY 750 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k1f h VAL 751 N -0.49 0.24 0.04 1.61 2.07 -1.91 -2.71 116.25 115.11 3k1f h VAL 751 Ca 0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 3k1f h VAL 751 Cb 0.00 0.24 0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3k1f h VAL 751 CO 0.00 0.00 -1.12 0.00 0.02 0.00 0.00 177.57 176.47 3k1f h ALA 752 N -0.22 0.09 -0.59 1.67 0.00 -1.88 -3.30 119.26 115.05 3k1f h ALA 752 Ca -0.01 -0.73 0.10 0.00 0.00 0.00 0.00 54.91 54.27 3k1f h ALA 752 Cb 0.67 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3k1f h ALA 752 CO -0.13 0.70 0.39 0.00 0.00 0.00 0.00 179.25 180.22 3k1f h ALA 753 N 0.39 2.03 0.00 0.00 0.00 -1.89 -1.63 119.26 118.16 3k1f h ALA 753 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k1f h ALA 753 Cb 1.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3k1f h ALA 753 CO 0.22 -0.16 0.00 0.77 0.00 0.00 0.00 179.25 180.08 3k1f h SER 754 N 0.39 0.00 0.77 0.00 0.02 -1.55 -1.11 113.55 112.06 3k1f h SER 754 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3k1f h SER 754 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3k1f h SER 754 CO -0.07 0.00 -0.36 -0.38 -1.14 0.00 0.00 176.83 174.88 3k1f n ILE 755 N -2.36 0.11 -2.14 3.27 5.41 -0.61 -4.57 119.36 118.46 3k1f n ILE 755 Ca -0.00 -0.07 -0.43 0.00 1.00 0.00 0.00 62.75 63.25 3k1f n ILE 755 Cb 0.13 -0.08 -0.03 0.00 -0.71 0.00 0.00 39.64 38.95 3k1f n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3k1f s ILE 756 N -3.04 3.80 -0.12 1.39 1.01 -0.42 -4.90 121.20 118.91 3k1f s ILE 756 Ca 0.11 0.95 -0.29 0.00 0.00 0.00 0.00 60.65 61.42 3k1f s ILE 756 Cb 0.17 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 3k1f s ILE 756 CO 0.65 -0.13 1.31 -2.16 0.00 0.00 0.00 174.94 174.61 3k1f s PRO 757 N 4.02 4.25 -1.00 2.79 0.04 -1.26 -3.83 135.00 140.01 3k1f s PRO 757 Ca 0.68 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 3k1f s PRO 757 Cb -0.28 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.52 3k1f s PRO 757 CO 0.25 -0.67 0.71 1.19 0.04 0.00 0.00 177.00 178.53 3k1f n PHE 758 N 6.33 -2.06 0.13 0.56 3.01 -0.37 -4.85 117.46 120.21 3k1f n PHE 758 Ca 0.14 0.62 0.07 0.00 1.01 0.00 0.00 57.45 59.29 3k1f n PHE 758 Cb 0.45 -3.28 0.55 0.00 -0.01 0.00 0.00 39.48 37.18 3k1f n PHE 758 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3k1f h PRO 759 N -1.16 0.24 0.00 -1.08 0.13 -1.84 -2.34 132.00 125.94 3k1f h PRO 759 Ca -0.55 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3k1f h PRO 759 Cb 1.32 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3k1f h PRO 759 CO 0.42 0.16 -0.01 0.38 -0.23 0.00 0.00 178.00 178.72 3k1f h ASP 760 N 0.24 0.00 0.32 1.44 2.03 -1.89 -0.71 116.42 117.85 3k1f h ASP 760 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 3k1f h ASP 760 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 3k1f h ASP 760 CO -0.02 0.01 -0.18 1.41 -1.03 0.00 0.00 179.24 179.43 3k1f n HIS 761 N -3.97 0.00 -4.22 4.15 8.25 -0.88 -4.93 115.22 113.61 3k1f n HIS 761 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 3k1f n HIS 761 Cb 0.10 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 30.96 3k1f n HIS 761 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3k1f s ASN 762 N -2.51 4.55 -0.23 0.41 3.84 -0.27 -3.81 114.94 116.91 3k1f s ASN 762 Ca 0.26 -0.42 -0.29 0.00 0.21 0.00 0.00 52.86 52.62 3k1f s ASN 762 Cb 0.20 -0.90 -0.02 0.00 -0.55 0.00 0.00 41.25 39.98 3k1f s ASN 762 CO 0.50 0.13 1.47 -1.58 -2.79 0.00 0.00 177.10 174.83 3k1f s GLN 763 N -2.62 3.92 0.02 0.43 0.74 -1.25 -4.95 119.66 115.94 3k1f s GLN 763 Ca 0.25 1.57 -0.03 0.00 0.05 0.00 0.00 55.36 57.19 3k1f s GLN 763 Cb -0.10 -3.95 0.01 0.00 1.10 0.00 0.00 33.01 30.07 3k1f s GLN 763 CO 0.16 -1.13 0.17 0.45 -0.55 0.00 0.00 175.29 174.39 3k1f n SER 764 N 7.86 -0.10 0.31 6.67 2.88 -1.26 -1.20 113.62 128.78 3k1f n SER 764 Ca 0.17 0.20 0.18 0.00 -1.33 0.00 0.00 58.87 58.08 3k1f n SER 764 Cb 0.45 -0.03 0.99 0.00 -0.75 0.00 0.00 64.21 64.88 3k1f n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3k1f h PRO 765 N 0.00 0.00 -0.22 -1.46 0.13 -1.98 -2.15 132.00 126.31 3k1f h PRO 765 Ca 0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 3k1f h PRO 765 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 3k1f h PRO 765 CO -0.11 0.01 -0.47 0.00 -0.23 0.00 0.00 178.00 177.20 3k1f h ARG 766 N 0.00 0.72 0.00 0.86 2.47 -1.49 -2.07 114.38 114.86 3k1f h ARG 766 Ca -0.00 -0.47 -0.02 0.00 -1.26 0.00 0.00 59.98 58.23 3k1f h ARG 766 Cb 0.05 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3k1f h ARG 766 CO 0.00 1.09 -0.09 -0.91 0.56 0.00 0.00 179.97 180.63 3k1f h ASN 767 N 0.44 0.00 -0.02 7.04 2.35 -1.50 -1.17 115.58 122.71 3k1f h ASN 767 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3k1f h ASN 767 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3k1f h ASN 767 CO 0.10 0.09 -0.20 0.74 -1.65 0.00 0.00 177.43 176.51 3k1f h THR 768 N 0.00 1.52 -0.04 2.81 2.02 -1.16 -2.52 112.91 115.54 3k1f h THR 768 Ca -0.00 -1.82 -0.00 0.00 0.77 0.00 0.00 66.41 65.35 3k1f h THR 768 Cb 0.37 2.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.43 3k1f h THR 768 CO 0.01 0.50 0.01 1.88 0.37 0.00 0.00 175.52 178.29 3k1f h TYR 769 N -0.48 0.06 -0.77 3.16 0.99 -1.04 -2.96 116.97 115.94 3k1f h TYR 769 Ca -0.02 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.81 3k1f h TYR 769 Cb 0.92 -0.02 -0.05 0.00 1.00 0.00 0.00 36.73 38.58 3k1f h TYR 769 CO 0.17 0.23 0.50 0.37 -0.00 0.00 0.00 178.16 179.43 3k1f h GLN 770 N -0.13 0.63 0.00 4.88 5.75 -1.32 0.15 115.11 125.07 3k1f h GLN 770 Ca 0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3k1f h GLN 770 Cb 0.19 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3k1f h GLN 770 CO -0.00 0.42 -0.05 0.77 -2.65 0.00 0.00 178.83 177.32 3k1f h SER 771 N 0.65 0.00 0.00 -0.69 0.02 -1.29 -1.69 113.55 110.55 3k1f h SER 771 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3k1f h SER 771 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3k1f h SER 771 CO -0.13 0.05 -0.58 0.00 -1.14 0.00 0.00 176.83 175.02 3k1f n ALA 772 N -2.14 3.54 0.03 3.77 0.00 -0.04 -4.66 120.51 121.01 3k1f n ALA 772 Ca -0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 3k1f n ALA 772 Cb 0.23 -0.43 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 3k1f n ALA 772 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3k1f h MET 773 N 0.00 0.31 0.00 0.00 2.07 -0.29 -3.35 114.93 113.67 3k1f h MET 773 Ca 0.00 -0.52 0.00 0.00 -2.07 0.00 0.00 59.70 57.11 3k1f h MET 773 Cb 0.29 0.20 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 3k1f h MET 773 CO 0.00 1.25 0.06 0.41 1.07 0.00 0.00 176.91 179.70 3k1f n GLY 774 N 1.93 -0.35 0.12 8.32 0.00 -0.68 -1.18 105.19 113.35 3k1f n GLY 774 Ca -0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3k1f n GLY 774 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1f h LYS 775 N 0.00 0.26 0.00 1.61 1.57 -1.85 -3.29 116.57 114.87 3k1f h LYS 775 Ca 0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3k1f h LYS 775 Cb 0.11 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3k1f h LYS 775 CO 0.00 1.21 0.00 1.04 -0.57 0.00 0.00 179.45 181.13 3k1f n GLN 776 N -4.06 0.07 -2.13 3.15 3.00 -0.32 -4.58 117.38 112.51 3k1f n GLN 776 Ca -0.19 0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.46 3k1f n GLN 776 Cb 0.85 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 29.56 3k1f n GLN 776 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k1f s ALA 777 N -2.91 3.53 0.12 -1.58 0.00 -1.04 0.02 121.76 119.89 3k1f s ALA 777 Ca 0.14 1.23 -0.26 0.00 0.00 0.00 0.00 51.96 53.07 3k1f s ALA 777 Cb 0.16 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3k1f s ALA 777 CO 0.43 -0.62 0.80 1.41 0.00 0.00 0.00 175.76 177.79 3k1f s MET 778 N -1.14 4.57 0.00 0.00 1.75 0.60 -4.48 119.30 120.59 3k1f s MET 778 Ca 0.52 1.17 0.00 0.00 -1.25 0.00 0.00 55.69 56.14 3k1f s MET 778 Cb -0.39 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 33.97 3k1f s MET 778 CO 0.47 0.43 0.00 0.41 -0.65 0.00 0.00 175.02 175.68 3k1f n GLY 779 N 1.95 3.81 2.87 2.11 0.00 -1.26 -3.69 105.19 110.97 3k1f n GLY 779 Ca -0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3k1f n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 780 N 0.06 1.01 -0.03 1.61 1.01 -1.22 -1.37 120.40 121.47 3k1f s VAL 780 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3k1f s VAL 780 Cb 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 36.38 34.86 3k1f s VAL 780 CO 0.00 0.10 0.72 2.19 0.00 0.00 0.00 175.10 178.10 3k1f h PHE 781 N 8.14 0.63 -2.93 5.22 -5.15 -1.85 -3.26 116.94 117.73 3k1f h PHE 781 Ca -0.23 -0.46 -0.13 0.00 -0.20 0.00 0.00 57.97 56.96 3k1f h PHE 781 Cb 1.11 -0.03 -0.23 0.00 0.22 0.00 0.00 35.95 37.03 3k1f h PHE 781 CO 0.43 1.58 -0.28 -0.51 -2.00 0.00 0.00 178.31 177.53 3k1f s LEU 782 N -7.18 0.71 0.39 2.10 1.43 -1.26 -4.38 118.68 110.49 3k1f s LEU 782 Ca -0.14 0.45 0.19 0.00 -1.03 0.00 0.00 54.13 53.60 3k1f s LEU 782 Cb 0.06 1.26 0.76 0.00 0.03 0.00 0.00 46.19 48.29 3k1f s LEU 782 CO 0.85 -0.27 1.78 0.71 0.23 0.00 0.00 176.35 179.65 3k1f h THR 783 N 4.26 0.91 -0.04 5.49 1.35 -1.97 -3.27 112.91 119.64 3k1f h THR 783 Ca -0.28 -1.41 -0.19 0.00 -0.55 0.00 0.00 66.41 63.99 3k1f h THR 783 Cb 1.18 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 3k1f h THR 783 CO 0.33 0.35 -0.79 -0.55 -0.25 0.00 0.00 175.52 174.61 3k1f h ASN 784 N 0.00 0.38 0.00 5.36 -1.07 -1.93 -3.43 115.58 114.90 3k1f h ASN 784 Ca -0.00 -0.27 0.00 0.00 0.07 0.00 0.00 56.30 56.09 3k1f h ASN 784 Cb 0.82 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 3k1f h ASN 784 CO 0.05 1.03 0.00 0.00 0.07 0.00 0.00 177.43 178.57 3k1f n TYR 785 N -3.77 0.00 -0.07 4.14 0.18 -1.24 -0.84 117.16 115.57 3k1f n TYR 785 Ca -0.04 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.86 3k1f n TYR 785 Cb 0.75 -0.09 0.52 0.00 -0.38 0.00 0.00 39.34 40.14 3k1f n TYR 785 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 3k1f h ASN 786 N 0.00 0.32 0.05 9.48 4.21 -1.90 -1.44 115.58 126.31 3k1f h ASN 786 Ca 0.00 0.01 -0.27 0.00 1.21 0.00 0.00 56.30 57.25 3k1f h ASN 786 Cb 0.00 -0.06 0.02 0.00 -1.12 0.00 0.00 38.32 37.16 3k1f h ASN 786 CO 0.00 0.19 -1.09 0.58 -1.29 0.00 0.00 177.43 175.83 3k1f h VAL 787 N 0.36 1.29 -2.74 2.81 2.07 -1.35 -3.45 116.25 115.24 3k1f h VAL 787 Ca 0.27 -2.32 -0.54 0.00 0.82 0.00 0.00 66.70 64.93 3k1f h VAL 787 Cb 0.57 2.54 0.01 0.00 -1.52 0.00 0.00 31.29 32.89 3k1f h VAL 787 CO -0.07 0.71 0.97 -0.13 0.02 0.00 0.00 177.57 179.07 3k1f s ARG 788 N -3.16 4.22 -1.18 1.57 0.52 -0.54 -4.95 118.95 115.43 3k1f s ARG 788 Ca -0.10 2.18 -0.12 0.00 -0.52 0.00 0.00 55.73 57.16 3k1f s ARG 788 Cb 0.06 -3.69 0.20 0.00 0.52 0.00 0.00 34.95 32.04 3k1f s ARG 788 CO 0.92 -0.71 1.34 -1.64 0.02 0.00 0.00 175.30 175.23 3k1f s MET 789 N 2.93 4.12 -0.18 3.54 -1.94 -1.26 -4.93 119.30 121.59 3k1f s MET 789 Ca 0.70 -2.76 -0.10 0.00 -1.71 0.00 0.00 55.69 51.82 3k1f s MET 789 Cb -0.35 -4.92 -0.05 0.00 2.01 0.00 0.00 34.83 31.52 3k1f s MET 789 CO 0.30 -1.62 0.16 0.16 -0.01 0.00 0.00 175.02 174.00 3k1f s ASP 790 N 2.41 6.28 -0.76 3.03 3.84 -1.26 -4.87 116.67 125.34 3k1f s ASP 790 Ca 0.39 0.32 -0.26 0.00 -0.00 0.00 0.00 52.55 53.00 3k1f s ASP 790 Cb -0.05 -2.10 0.00 0.00 -1.38 0.00 0.00 42.92 39.39 3k1f s ASP 790 CO -0.02 0.22 1.62 0.42 -0.00 0.00 0.00 175.17 177.41 3k1f s THR 791 N 0.08 3.57 0.10 2.11 -4.23 -1.26 -3.39 115.64 112.62 3k1f s THR 791 Ca 0.11 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 3k1f s THR 791 Cb -0.12 -4.43 0.00 0.00 1.34 0.00 0.00 72.50 69.30 3k1f s THR 791 CO 0.00 -1.37 0.00 0.80 -0.54 0.00 0.00 174.62 173.51 3k1f n MET 792 N 9.16 -2.10 -3.66 3.99 0.00 -1.25 -4.84 117.12 118.42 3k1f n MET 792 Ca 0.19 1.69 -0.14 0.00 -0.00 0.00 0.00 57.70 59.45 3k1f n MET 792 Cb 0.50 -1.62 -0.07 0.00 0.00 0.00 0.00 33.22 32.03 3k1f n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k1f s ALA 793 N -0.62 -1.11 -0.04 -5.12 0.00 -1.04 -4.96 121.76 108.86 3k1f s ALA 793 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3k1f s ALA 793 Cb 0.00 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.34 3k1f s ALA 793 CO 0.00 -0.39 -0.10 -0.80 0.00 0.00 0.00 175.76 174.48 3k1f s ASN 794 N -1.65 1.40 -0.05 0.00 0.01 -1.26 -0.88 114.94 112.51 3k1f s ASN 794 Ca -0.09 -0.22 0.02 0.00 -0.71 0.00 0.00 52.86 51.86 3k1f s ASN 794 Cb -0.02 -0.54 0.01 0.00 0.41 0.00 0.00 41.25 41.11 3k1f s ASN 794 CO 0.02 0.03 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.92 3k1f s ILE 795 N 0.50 0.93 0.32 0.60 1.09 -0.55 -4.53 121.20 119.56 3k1f s ILE 795 Ca -0.09 -0.37 -0.28 0.00 -1.10 0.00 0.00 60.65 58.81 3k1f s ILE 795 Cb -0.13 -0.87 -0.09 0.00 -1.06 0.00 0.00 42.46 40.31 3k1f s ILE 795 CO 0.02 0.31 1.12 -0.22 -0.10 0.00 0.00 174.94 176.06 3k1f s LEU 796 N 0.68 4.42 0.00 2.97 2.96 -0.47 -0.22 118.68 129.02 3k1f s LEU 796 Ca -0.13 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 3k1f s LEU 796 Cb -0.15 -3.78 0.00 0.00 0.50 0.00 0.00 46.19 42.76 3k1f s LEU 796 CO 0.02 -0.31 0.22 -1.22 -1.32 0.00 0.00 176.35 173.75 3k1f n TYR 797 N 0.79 0.00 -3.54 5.38 4.02 -0.29 -4.49 117.16 119.02 3k1f n TYR 797 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 3k1f n TYR 797 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 3k1f n TYR 797 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3k1f s TYR 798 N -0.45 3.27 0.49 -0.72 1.51 -1.26 -5.08 117.35 115.12 3k1f s TYR 798 Ca 0.00 -1.10 -0.10 0.00 -1.01 0.00 0.00 57.07 54.85 3k1f s TYR 798 Cb 0.00 -2.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3k1f s TYR 798 CO 0.00 -0.74 0.87 -1.25 -1.11 0.00 0.00 175.55 173.32 3k1f s PRO 799 N 1.55 3.71 -0.03 -1.71 0.05 -1.26 -4.90 135.00 132.41 3k1f s PRO 799 Ca 0.03 0.56 0.02 0.00 0.05 0.00 0.00 61.00 61.67 3k1f s PRO 799 Cb -0.22 -2.27 0.00 0.00 0.05 0.00 0.00 34.50 32.07 3k1f s PRO 799 CO 0.06 -0.24 -0.09 -0.65 0.05 0.00 0.00 177.00 176.12 3k1f s GLN 800 N -4.41 0.97 -0.05 4.56 -0.21 -0.63 -5.03 119.66 114.85 3k1f s GLN 800 Ca 0.53 -0.30 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 3k1f s GLN 800 Cb -0.10 -0.90 -0.03 0.00 1.00 0.00 0.00 33.01 32.98 3k1f s GLN 800 CO 0.40 0.11 1.08 -1.59 -2.12 0.00 0.00 175.29 173.17 3k1f s LYS 801 N 0.21 4.43 0.39 2.91 0.00 -1.26 -4.49 119.74 121.92 3k1f s LYS 801 Ca -0.03 1.53 -0.24 0.00 0.00 0.00 0.00 55.97 57.22 3k1f s LYS 801 Cb -0.09 -3.51 -0.12 0.00 0.00 0.00 0.00 37.83 34.11 3k1f s LYS 801 CO 0.00 -0.30 0.79 -0.35 0.00 0.00 0.00 175.35 175.49 3k1f n PRO 802 N 4.74 0.94 0.13 1.78 -0.04 -1.26 -4.89 135.00 136.40 3k1f n PRO 802 Ca 0.09 0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 3k1f n PRO 802 Cb 0.48 -1.73 0.15 0.00 -0.04 0.00 0.00 33.50 32.36 3k1f n PRO 802 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3k1f h LEU 803 N 1.25 0.00 -8.29 1.53 3.38 -1.94 -3.40 115.31 107.84 3k1f h LEU 803 Ca -0.41 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.85 3k1f h LEU 803 Cb 1.37 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.87 3k1f h LEU 803 CO 0.55 0.63 -0.48 -0.83 0.09 0.00 0.00 178.44 178.40 3k1f s GLY 804 N -4.48 1.95 -0.05 0.83 0.00 -1.26 -1.34 107.32 102.97 3k1f s GLY 804 Ca -0.00 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 42.88 3k1f s GLY 804 CO 0.76 0.90 -0.19 -0.51 0.00 0.00 0.00 173.10 174.06 3k1f s THR 805 N 1.53 1.55 0.26 0.90 -4.23 -0.43 -4.67 115.64 110.56 3k1f s THR 805 Ca 0.02 -0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 3k1f s THR 805 Cb -0.21 -1.33 -0.09 0.00 1.34 0.00 0.00 72.50 72.21 3k1f s THR 805 CO 0.05 0.44 0.92 -0.89 -0.54 0.00 0.00 174.62 174.61 3k1f s THR 806 N -0.02 4.16 0.57 3.99 2.01 -1.26 -1.03 115.64 124.06 3k1f s THR 806 Ca -0.03 1.94 0.25 0.00 0.31 0.00 0.00 61.69 64.16 3k1f s THR 806 Cb -0.12 -4.19 0.33 0.00 0.01 0.00 0.00 72.50 68.53 3k1f s THR 806 CO 0.02 0.37 2.21 0.03 -0.69 0.00 0.00 174.62 176.56 3k1f h ARG 807 N 3.82 0.00 0.00 4.92 2.47 -1.92 -1.61 114.38 122.06 3k1f h ARG 807 Ca -0.46 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 3k1f h ARG 807 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3k1f h ARG 807 CO 0.67 0.00 -0.04 0.00 0.56 0.00 0.00 179.97 181.16 3k1f h ALA 808 N 1.98 1.04 -0.16 0.04 0.00 -1.92 -3.10 119.26 117.13 3k1f h ALA 808 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3k1f h ALA 808 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3k1f h ALA 808 CO -0.00 0.05 -0.31 0.52 0.00 0.00 0.00 179.25 179.51 3k1f h MET 809 N 0.00 0.30 -0.95 0.00 2.86 -1.53 -3.17 114.93 112.44 3k1f h MET 809 Ca -0.00 -0.12 0.20 0.00 -2.06 0.00 0.00 59.70 57.72 3k1f h MET 809 Cb 0.40 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.97 3k1f h MET 809 CO 0.00 0.59 0.61 1.49 1.06 0.00 0.00 176.91 180.66 3k1f h GLU 810 N 0.27 0.52 0.00 1.72 4.81 -1.71 -0.53 114.58 119.66 3k1f h GLU 810 Ca 0.04 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3k1f h GLU 810 Cb 0.68 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3k1f h GLU 810 CO 0.05 0.34 -0.71 1.88 -0.73 0.00 0.00 179.01 179.84 3k1f h TYR 811 N 0.54 0.00 -0.01 0.92 -1.99 -1.77 -3.22 116.97 111.44 3k1f h TYR 811 Ca 0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.24 3k1f h TYR 811 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 3k1f h TYR 811 CO -0.00 0.47 -0.24 1.28 -0.00 0.00 0.00 178.16 179.67 3k1f n LEU 812 N -3.11 1.06 -1.21 3.88 4.77 -0.34 -4.95 117.00 117.09 3k1f n LEU 812 Ca -0.01 -0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 55.54 3k1f n LEU 812 Cb 0.74 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 3k1f n LEU 812 CO 0.41 0.20 -0.15 0.29 -1.33 0.00 0.00 177.39 176.80 3k1f n LYS 813 N -0.60 -1.59 -0.25 3.23 4.76 -0.44 -4.89 118.16 118.38 3k1f n LYS 813 Ca 0.13 1.05 0.14 0.00 -2.87 0.00 0.00 58.31 56.75 3k1f n LYS 813 Cb 0.35 -5.46 0.43 0.00 -1.84 0.00 0.00 35.03 28.51 3k1f n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3k1f h PHE 814 N 0.00 0.71 -0.68 2.13 3.57 -1.80 -0.73 116.94 120.14 3k1f h PHE 814 Ca -0.32 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.31 3k1f h PHE 814 Cb 1.27 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 3k1f h PHE 814 CO 0.59 0.25 0.45 0.00 -2.23 0.00 0.00 178.31 177.37 3k1f h ARG 815 N 0.59 0.44 0.20 1.11 3.08 -1.91 -2.49 114.38 115.40 3k1f h ARG 815 Ca 0.44 -0.03 -0.35 0.00 0.07 0.00 0.00 59.98 60.12 3k1f h ARG 815 Cb 0.83 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.80 3k1f h ARG 815 CO -0.19 0.29 -1.68 0.93 -1.07 0.00 0.00 179.97 178.25 3k1f h GLU 816 N 0.45 0.43 -2.69 0.04 3.07 -1.54 -3.42 114.58 110.93 3k1f h GLU 816 Ca 0.32 -0.74 -0.61 0.00 -0.50 0.00 0.00 59.36 57.83 3k1f h GLU 816 Cb 0.63 0.28 -0.42 0.00 -0.84 0.00 0.00 28.75 28.40 3k1f h GLU 816 CO -0.10 1.35 -0.60 1.28 -1.40 0.00 0.00 179.01 179.55 3k1f n LEU 817 N -3.62 3.21 -4.68 1.33 4.32 -0.98 -5.08 117.00 111.51 3k1f n LEU 817 Ca -0.23 -5.28 -0.29 0.00 -0.02 0.00 0.00 56.01 50.19 3k1f n LEU 817 Cb 1.08 -0.67 0.20 0.00 -1.62 0.00 0.00 43.42 42.41 3k1f n LEU 817 CO 0.54 1.89 0.66 -2.84 -1.22 0.00 0.00 177.39 176.42 3k1f s PRO 818 N -1.85 -0.13 -0.05 3.23 0.02 -0.98 -4.64 135.00 130.60 3k1f s PRO 818 Ca 0.31 0.18 0.09 0.00 0.02 0.00 0.00 61.00 61.61 3k1f s PRO 818 Cb 0.04 -1.70 0.22 0.00 0.02 0.00 0.00 34.50 33.08 3k1f s PRO 818 CO -0.11 -3.03 1.16 0.00 -0.33 0.00 0.00 177.00 174.70 3k1f n ALA 819 N -4.33 2.25 0.00 -1.55 0.00 -1.26 -3.46 120.51 112.16 3k1f n ALA 819 Ca 0.09 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.98 3k1f n ALA 819 Cb 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3k1f n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1f n GLY 820 N -0.40 -0.75 3.06 0.00 0.00 -1.24 -4.06 105.19 101.80 3k1f n GLY 820 Ca 0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 3k1f n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1f s GLN 821 N -0.32 0.52 -0.35 1.61 -0.21 -0.33 -1.61 119.66 118.97 3k1f s GLN 821 Ca 0.00 -1.01 -0.19 0.00 0.02 0.00 0.00 55.36 54.18 3k1f s GLN 821 Cb 0.00 0.18 -0.00 0.00 1.00 0.00 0.00 33.01 34.19 3k1f s GLN 821 CO 0.00 -0.10 0.56 -0.80 -2.12 0.00 0.00 175.29 172.84 3k1f s ASN 822 N -2.44 6.36 0.08 5.90 0.01 -1.26 -0.74 114.94 122.85 3k1f s ASN 822 Ca -0.01 0.04 0.09 0.00 -0.71 0.00 0.00 52.86 52.28 3k1f s ASN 822 Cb 0.02 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 3k1f s ASN 822 CO -0.07 -0.53 -0.23 0.00 -1.51 0.00 0.00 177.10 174.77 3k1f s ALA 823 N 2.52 2.47 -0.47 0.60 0.00 -0.21 -4.88 121.76 121.79 3k1f s ALA 823 Ca 0.21 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 3k1f s ALA 823 Cb -0.15 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 3k1f s ALA 823 CO 0.14 0.56 1.60 0.42 0.00 0.00 0.00 175.76 178.48 3k1f s ILE 824 N -0.99 3.65 -0.18 0.00 -1.09 -1.26 -1.46 121.20 119.87 3k1f s ILE 824 Ca 0.15 0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 59.07 3k1f s ILE 824 Cb -0.10 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 3k1f s ILE 824 CO 0.06 -0.82 0.10 -0.69 -1.23 0.00 0.00 174.94 172.36 3k1f s VAL 825 N 6.73 5.16 -0.25 2.92 1.01 -0.08 -0.81 120.40 135.07 3k1f s VAL 825 Ca 0.65 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3k1f s VAL 825 Cb -0.15 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.94 3k1f s VAL 825 CO 0.28 0.47 -0.09 0.00 0.00 0.00 0.00 175.10 175.76 3k1f s ALA 826 N 0.22 2.62 -0.70 5.51 0.00 -0.58 -2.46 121.76 126.37 3k1f s ALA 826 Ca 0.07 -1.56 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 3k1f s ALA 826 Cb -0.12 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 3k1f s ALA 826 CO -0.01 -0.93 2.97 -0.89 0.00 0.00 0.00 175.76 176.90 3k1f n ILE 827 N 4.58 3.81 -4.02 0.00 5.41 -0.44 -1.56 119.36 127.14 3k1f n ILE 827 Ca -0.16 -2.78 -0.23 0.00 1.00 0.00 0.00 62.75 60.58 3k1f n ILE 827 Cb 0.45 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 3k1f n ILE 827 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1f s ALA 828 N -0.18 3.81 -0.35 -1.39 0.00 -1.15 -4.20 121.76 118.30 3k1f s ALA 828 Ca 0.62 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 3k1f s ALA 828 Cb 0.29 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 3k1f s ALA 828 CO -0.11 0.32 0.25 0.00 0.00 0.00 0.00 175.76 176.22 3k1f n TYR 830 N 5.11 0.00 0.99 0.00 9.36 -1.26 -4.92 117.16 126.44 3k1f n TYR 830 Ca -0.12 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.18 3k1f n TYR 830 Cb 0.49 0.00 0.48 0.00 -0.63 0.00 0.00 39.34 39.69 3k1f n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3k1f n SER 831 N 0.00 0.00 -2.00 2.98 3.41 -1.26 -4.87 113.62 111.88 3k1f n SER 831 Ca 0.00 -0.40 -0.04 0.00 -0.26 0.00 0.00 58.87 58.17 3k1f n SER 831 Cb 0.00 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 3k1f n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1f n GLY 832 N 0.06 0.24 0.00 5.00 0.00 -1.26 -4.99 105.19 104.24 3k1f n GLY 832 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3k1f n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k1f n TYR 833 N -1.92 0.00 1.45 1.61 4.02 -1.26 -4.68 117.16 116.38 3k1f n TYR 833 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.98 3k1f n TYR 833 Cb 0.53 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 40.32 3k1f n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3k1f n ASN 834 N -0.77 1.25 -4.73 7.72 6.94 -1.26 -4.30 115.26 120.11 3k1f n ASN 834 Ca 0.00 -1.58 -0.36 0.00 -0.02 0.00 0.00 54.58 52.62 3k1f n ASN 834 Cb 0.00 -0.06 0.07 0.00 -2.36 0.00 0.00 39.78 37.43 3k1f n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3k1f s GLN 835 N -1.88 2.43 -1.05 -3.83 -0.21 -1.26 -3.51 119.66 110.35 3k1f s GLN 835 Ca 0.33 1.95 -0.20 0.00 0.02 0.00 0.00 55.36 57.46 3k1f s GLN 835 Cb 0.18 -1.85 0.03 0.00 1.00 0.00 0.00 33.01 32.37 3k1f s GLN 835 CO 0.27 -1.66 0.65 -1.91 -2.12 0.00 0.00 175.29 170.52 3k1f n GLU 836 N -2.17 -0.80 -0.03 2.91 2.13 -1.26 -2.54 120.64 118.88 3k1f n GLU 836 Ca 0.15 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3k1f n GLU 836 Cb 0.49 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.81 3k1f n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3k1f n ASP 837 N -2.36 0.00 -2.71 4.31 10.43 -1.26 -5.04 116.55 119.91 3k1f n ASP 837 Ca -0.20 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.05 3k1f n ASP 837 Cb 0.62 -0.34 0.08 0.00 1.84 0.00 0.00 41.12 43.32 3k1f n ASP 837 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3k1f n SER 838 N 0.00 -0.05 -3.59 -2.24 3.41 -1.05 -4.31 113.62 105.78 3k1f n SER 838 Ca 0.00 -1.15 -0.16 0.00 -0.26 0.00 0.00 58.87 57.30 3k1f n SER 838 Cb 0.00 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.51 3k1f n SER 838 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1f s MET 839 N -4.07 0.92 0.24 4.33 0.23 -0.56 -4.45 119.30 115.94 3k1f s MET 839 Ca 0.28 0.66 -0.30 0.00 -1.03 0.00 0.00 55.69 55.30 3k1f s MET 839 Cb -0.01 0.44 -0.09 0.00 -1.53 0.00 0.00 34.83 33.65 3k1f s MET 839 CO 0.20 -0.20 0.99 0.42 -2.03 0.00 0.00 175.02 174.40 3k1f s ILE 840 N -0.31 3.94 0.06 3.16 1.01 -0.45 -0.33 121.20 128.28 3k1f s ILE 840 Ca -0.05 1.92 0.06 0.00 0.00 0.00 0.00 60.65 62.57 3k1f s ILE 840 Cb -0.03 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 3k1f s ILE 840 CO 0.05 0.44 -0.16 -0.32 0.00 0.00 0.00 174.94 174.95 3k1f s MET 841 N -1.13 0.99 -0.39 2.79 1.75 -0.71 -0.55 119.30 122.04 3k1f s MET 841 Ca 0.43 -0.90 -0.29 0.00 -1.25 0.00 0.00 55.69 53.68 3k1f s MET 841 Cb -0.27 -1.05 0.02 0.00 2.84 0.00 0.00 34.83 36.36 3k1f s MET 841 CO 0.34 0.25 1.24 1.21 -0.65 0.00 0.00 175.02 177.42 3k1f s ASN 842 N -1.43 6.61 0.20 1.11 2.47 -0.21 -1.12 114.94 122.58 3k1f s ASN 842 Ca 0.02 0.84 -0.06 0.00 0.42 0.00 0.00 52.86 54.08 3k1f s ASN 842 Cb -0.09 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.30 3k1f s ASN 842 CO 0.02 -1.20 1.62 -0.61 -3.72 0.00 0.00 177.10 173.21 3k1f h GLN 843 N 9.47 0.87 -0.17 0.43 5.75 -1.03 -2.57 115.11 127.87 3k1f h GLN 843 Ca -0.25 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 57.86 3k1f h GLN 843 Cb 1.08 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 3k1f h GLN 843 CO 1.08 0.98 -0.15 0.77 -2.65 0.00 0.00 178.83 178.86 3k1f h SER 844 N 0.77 0.27 -0.49 -0.69 0.02 -1.90 -1.05 113.55 110.47 3k1f h SER 844 Ca 0.11 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3k1f h SER 844 Cb 0.71 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3k1f h SER 844 CO 0.05 0.44 0.03 0.28 -1.14 0.00 0.00 176.83 176.50 3k1f h SER 845 N 0.26 0.82 -0.40 3.07 0.02 -1.87 -1.72 113.55 113.74 3k1f h SER 845 Ca 0.05 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3k1f h SER 845 Cb 0.43 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3k1f h SER 845 CO 0.03 0.91 0.23 0.40 -1.14 0.00 0.00 176.83 177.25 3k1f h ILE 846 N 0.71 1.14 -0.36 3.27 2.04 -0.99 -1.20 117.51 122.12 3k1f h ILE 846 Ca 0.14 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3k1f h ILE 846 Cb 0.47 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3k1f h ILE 846 CO 0.02 0.15 0.21 0.44 0.00 0.00 0.00 178.15 178.96 3k1f h ASP 847 N 0.52 0.42 0.94 1.72 5.19 -1.09 -0.65 116.42 123.47 3k1f h ASP 847 Ca 0.14 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3k1f h ASP 847 Cb 0.04 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3k1f h ASP 847 CO -0.02 0.33 0.00 0.54 -3.12 0.00 0.00 179.24 176.97 3k1f n ARG 848 N -4.46 0.11 0.00 3.56 1.74 -0.66 -4.91 116.66 112.04 3k1f n ARG 848 Ca 0.02 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3k1f n ARG 848 Cb 0.09 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 3k1f n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k1f n GLY 849 N 0.77 1.24 3.71 -0.13 0.00 -0.25 -5.08 105.19 105.45 3k1f n GLY 849 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3k1f n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1f s LEU 850 N 0.00 4.37 -1.62 0.99 2.96 -0.50 -2.97 118.68 121.90 3k1f s LEU 850 Ca 0.00 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3k1f s LEU 850 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3k1f s LEU 850 CO 0.00 -0.77 0.00 0.49 -1.32 0.00 0.00 176.35 174.75 3k1f n PHE 851 N 4.09 -0.08 -2.17 5.38 3.01 -1.26 -4.57 117.46 121.87 3k1f n PHE 851 Ca 0.13 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.21 3k1f n PHE 851 Cb 0.40 -2.99 -0.01 0.00 -0.01 0.00 0.00 39.48 36.87 3k1f n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3k1f s ARG 852 N -3.26 3.89 0.05 -1.08 0.52 -1.16 -4.57 118.95 113.35 3k1f s ARG 852 Ca 0.00 1.96 -0.01 0.00 -0.52 0.00 0.00 55.73 57.16 3k1f s ARG 852 Cb 0.00 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3k1f s ARG 852 CO 0.00 -0.49 -0.03 -1.54 0.02 0.00 0.00 175.30 173.26 3k1f s SER 853 N -1.04 0.50 -0.08 0.23 1.04 -1.03 -1.14 113.70 112.18 3k1f s SER 853 Ca 0.59 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 3k1f s SER 853 Cb -0.33 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 3k1f s SER 853 CO 0.42 -0.60 -0.03 -0.76 0.98 0.00 0.00 173.24 173.24 3k1f s LEU 854 N -2.93 3.37 -0.07 2.42 1.43 0.69 -0.70 118.68 122.90 3k1f s LEU 854 Ca 0.08 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3k1f s LEU 854 Cb 0.08 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 3k1f s LEU 854 CO -0.09 0.36 -0.21 0.12 0.23 0.00 0.00 176.35 176.76 3k1f s PHE 855 N -0.78 2.56 0.17 0.29 5.36 -0.40 -1.48 117.98 123.69 3k1f s PHE 855 Ca 0.12 -0.61 0.07 0.00 -0.96 0.00 0.00 56.93 55.56 3k1f s PHE 855 Cb -0.11 -1.65 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 3k1f s PHE 855 CO 0.02 -0.14 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.43 3k1f s PHE 856 N -0.17 1.62 -0.26 10.12 0.40 -0.05 -1.59 117.98 128.04 3k1f s PHE 856 Ca -0.02 -0.56 -0.14 0.00 -0.60 0.00 0.00 56.93 55.61 3k1f s PHE 856 Cb -0.14 -0.80 0.08 0.00 0.51 0.00 0.00 43.02 42.68 3k1f s PHE 856 CO 0.04 0.27 0.63 0.50 0.70 0.00 0.00 175.22 177.36 3k1f s ARG 857 N -3.18 0.64 -0.06 0.44 3.52 -0.89 -2.51 118.95 116.91 3k1f s ARG 857 Ca 0.17 1.17 -0.15 0.00 -0.13 0.00 0.00 55.73 56.79 3k1f s ARG 857 Cb -0.03 0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.50 3k1f s ARG 857 CO 0.05 -0.16 0.39 -1.12 -0.81 0.00 0.00 175.30 173.66 3k1f s SER 858 N 1.75 6.70 0.13 -2.12 0.01 -1.22 -1.60 113.70 117.35 3k1f s SER 858 Ca -0.09 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.07 3k1f s SER 858 Cb -0.06 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 3k1f s SER 858 CO -0.19 0.21 -0.10 -0.31 0.41 0.00 0.00 173.24 173.26 3k1f s TYR 859 N -0.39 2.69 -0.04 2.43 1.51 0.17 -4.75 117.35 118.98 3k1f s TYR 859 Ca 0.23 -0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 56.05 3k1f s TYR 859 Cb -0.15 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.33 3k1f s TYR 859 CO 0.11 0.45 0.13 1.41 -1.11 0.00 0.00 175.55 176.54 3k1f s MET 860 N -2.41 0.24 0.04 -0.62 1.75 -1.26 -0.80 119.30 116.23 3k1f s MET 860 Ca 0.22 0.04 -0.20 0.00 -1.25 0.00 0.00 55.69 54.50 3k1f s MET 860 Cb -0.10 0.11 0.04 0.00 2.84 0.00 0.00 34.83 37.71 3k1f s MET 860 CO 0.14 -0.04 0.45 -0.51 -0.65 0.00 0.00 175.02 174.41 3k1f s ASP 861 N -0.29 -0.34 -0.01 1.11 1.11 -0.45 -5.03 116.67 112.77 3k1f s ASP 861 Ca -0.04 0.08 -0.15 0.00 0.18 0.00 0.00 52.55 52.62 3k1f s ASP 861 Cb -0.03 0.44 0.02 0.00 1.07 0.00 0.00 42.92 44.43 3k1f s ASP 861 CO 0.00 -0.67 0.32 -1.10 1.18 0.00 0.00 175.17 174.90 3k1f s GLN 862 N -2.38 0.69 -0.09 8.23 -0.21 -1.26 -1.16 119.66 123.48 3k1f s GLN 862 Ca -0.06 -0.22 -0.29 0.00 0.02 0.00 0.00 55.36 54.82 3k1f s GLN 862 Cb -0.01 0.31 -0.02 0.00 1.00 0.00 0.00 33.01 34.29 3k1f s GLN 862 CO -0.01 -0.20 0.95 -1.21 -2.12 0.00 0.00 175.29 172.70 3k1f s GLU 863 N -1.47 4.43 -0.40 2.91 2.02 -1.19 -4.98 118.70 120.02 3k1f s GLU 863 Ca -0.13 1.31 -0.15 0.00 0.02 0.00 0.00 54.97 56.02 3k1f s GLU 863 Cb -0.05 -3.52 0.01 0.00 0.10 0.00 0.00 34.13 30.67 3k1f s GLU 863 CO 0.04 -0.24 0.30 0.15 0.02 0.00 0.00 175.26 175.53 3k1f s LYS 864 N 1.74 3.09 -0.48 1.61 1.02 -1.26 -4.76 119.74 120.71 3k1f s LYS 864 Ca 0.47 -0.92 -0.28 0.00 0.02 0.00 0.00 55.97 55.26 3k1f s LYS 864 Cb -0.19 -3.94 0.03 0.00 -0.52 0.00 0.00 37.83 33.21 3k1f s LYS 864 CO 0.19 -0.70 1.07 0.21 -0.92 0.00 0.00 175.35 175.20 3k1f s LYS 865 N 1.73 3.65 -1.20 1.68 2.20 -1.26 -2.97 119.74 123.57 3k1f s LYS 865 Ca 0.06 0.41 -0.19 0.00 -0.36 0.00 0.00 55.97 55.89 3k1f s LYS 865 Cb -0.19 -3.92 0.07 0.00 -1.51 0.00 0.00 37.83 32.29 3k1f s LYS 865 CO 0.10 -1.34 1.61 0.71 -0.36 0.00 0.00 175.35 176.08 3k1f s TYR 866 N 4.23 2.75 0.00 4.03 2.02 -1.25 -4.80 117.35 124.33 3k1f s TYR 866 Ca 0.44 -1.40 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 3k1f s TYR 866 Cb -0.08 -4.70 0.00 0.00 -0.40 0.00 0.00 41.96 36.78 3k1f s TYR 866 CO 0.30 -1.82 0.00 0.41 -1.57 0.00 0.00 175.55 172.87 3k1f n GLY 867 N 5.80 0.75 3.05 0.71 0.00 -1.26 -4.15 105.19 110.10 3k1f n GLY 867 Ca 0.43 0.60 -0.34 0.00 0.00 0.00 0.00 46.02 46.70 3k1f n GLY 867 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k1f s MET 868 N 0.00 2.37 -1.07 1.61 1.75 -1.26 -4.91 119.30 117.79 3k1f s MET 868 Ca 0.00 -2.55 -0.23 0.00 -1.25 0.00 0.00 55.69 51.66 3k1f s MET 868 Cb 0.00 -3.60 0.03 0.00 2.84 0.00 0.00 34.83 34.10 3k1f s MET 868 CO 0.00 -1.15 0.64 0.43 -0.65 0.00 0.00 175.02 174.29 3k1f n SER 869 N 3.39 -4.27 -1.13 1.11 7.64 -1.26 -4.91 113.62 114.18 3k1f n SER 869 Ca 0.07 -1.19 -0.05 0.00 1.01 0.00 0.00 58.87 58.71 3k1f n SER 869 Cb 0.36 -1.56 0.16 0.00 -1.01 0.00 0.00 64.21 62.15 3k1f n SER 869 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3k1f n ILE 870 N -4.22 2.41 -1.73 0.44 5.41 -1.26 -4.94 119.36 115.46 3k1f n ILE 870 Ca -0.18 -3.39 -0.42 0.00 1.00 0.00 0.00 62.75 59.75 3k1f n ILE 870 Cb 0.60 -0.51 -0.02 0.00 -0.71 0.00 0.00 39.64 39.00 3k1f n ILE 870 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3k1f n THR 871 N -1.01 0.74 -1.16 1.39 -1.04 -1.25 -3.97 114.28 107.98 3k1f n THR 871 Ca 0.30 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.05 61.82 3k1f n THR 871 Cb 0.83 -1.92 0.15 0.00 -1.82 0.00 0.00 70.33 67.57 3k1f n THR 871 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3k1f s GLU 872 N -0.06 1.09 -0.03 -2.82 2.02 -1.16 -4.50 118.70 113.25 3k1f s GLU 872 Ca 0.67 0.81 0.03 0.00 0.02 0.00 0.00 54.97 56.51 3k1f s GLU 872 Cb -0.52 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 31.93 3k1f s GLU 872 CO 0.44 -2.35 -0.12 0.95 0.02 0.00 0.00 175.26 174.21 3k1f s THR 873 N -2.91 0.99 -1.05 3.63 -4.23 -0.09 -4.75 115.64 107.24 3k1f s THR 873 Ca 0.64 -0.47 -0.14 0.00 -1.18 0.00 0.00 61.69 60.55 3k1f s THR 873 Cb -0.18 -0.88 0.20 0.00 1.34 0.00 0.00 72.50 72.98 3k1f s THR 873 CO 0.57 0.30 1.15 -0.36 -0.54 0.00 0.00 174.62 175.74 3k1f s PHE 874 N 0.21 3.69 0.12 3.99 2.99 -1.26 -0.47 117.98 127.24 3k1f s PHE 874 Ca -0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 56.93 54.75 3k1f s PHE 874 Cb -0.10 -4.08 -0.03 0.00 0.00 0.00 0.00 43.02 38.81 3k1f s PHE 874 CO 0.01 -1.21 0.08 -1.83 -0.00 0.00 0.00 175.22 172.27 3k1f s GLU 875 N 0.73 0.89 -0.44 0.44 -1.05 -0.81 -3.92 118.70 114.53 3k1f s GLU 875 Ca 0.32 -1.33 -0.27 0.00 -0.15 0.00 0.00 54.97 53.54 3k1f s GLU 875 Cb -0.07 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.91 3k1f s GLU 875 CO -0.06 -0.25 1.01 0.21 0.95 0.00 0.00 175.26 177.12 3k1f s LYS 876 N -4.00 3.69 0.40 -4.83 2.20 -1.01 -4.30 119.74 111.89 3k1f s LYS 876 Ca 0.19 0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 56.13 3k1f s LYS 876 Cb 0.07 -3.89 -0.07 0.00 -1.51 0.00 0.00 37.83 32.44 3k1f s LYS 876 CO -0.02 -1.21 0.77 -1.25 -0.36 0.00 0.00 175.35 173.28 3k1f s PRO 877 N 3.96 3.80 -0.15 4.03 0.04 -1.26 -5.03 135.00 140.40 3k1f s PRO 877 Ca 0.42 0.49 0.01 0.00 0.04 0.00 0.00 61.00 61.95 3k1f s PRO 877 Cb -0.09 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 32.05 3k1f s PRO 877 CO 0.26 -0.02 -0.16 -0.65 0.04 0.00 0.00 177.00 176.47 3k1f s GLN 878 N -3.77 3.21 0.19 4.56 -0.21 -1.26 -5.00 119.66 117.38 3k1f s GLN 878 Ca 0.52 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 55.21 3k1f s GLN 878 Cb -0.10 -2.59 0.39 0.00 1.00 0.00 0.00 33.01 31.70 3k1f s GLN 878 CO 0.30 0.05 1.06 0.54 -2.12 0.00 0.00 175.29 175.12 3k1f n ARG 879 N 3.95 0.05 -0.24 2.91 1.74 -1.26 -2.31 116.66 121.49 3k1f n ARG 879 Ca -0.19 0.44 -0.03 0.00 -0.77 0.00 0.00 57.85 57.30 3k1f n ARG 879 Cb 0.52 -1.95 0.08 0.00 -1.02 0.00 0.00 32.46 30.09 3k1f n ARG 879 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3k1f h THR 880 N 0.00 1.06 0.00 0.55 1.35 -1.94 -3.40 112.91 110.52 3k1f h THR 880 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3k1f h THR 880 Cb 0.57 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 3k1f h THR 880 CO 0.00 0.14 -0.33 -0.46 -0.25 0.00 0.00 175.52 174.62 3k1f n ASN 881 N -4.71 1.47 -2.69 5.36 6.94 -1.06 -4.88 115.26 115.69 3k1f n ASN 881 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.49 3k1f n ASN 881 Cb 0.11 0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.54 3k1f n ASN 881 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3k1f n THR 882 N -1.50 2.02 -0.77 5.53 -2.24 -0.98 -3.42 114.28 112.91 3k1f n THR 882 Ca 0.00 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 3k1f n THR 882 Cb 0.17 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 3k1f n THR 882 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3k1f n LEU 883 N 3.45 0.00 -4.77 3.22 0.00 -1.21 -4.24 117.00 113.45 3k1f n LEU 883 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.94 3k1f n LEU 883 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.71 3k1f n LEU 883 CO 0.43 -0.04 0.90 -0.60 0.00 0.00 0.00 177.39 178.08 3k1f s ARG 884 N 0.00 4.46 0.21 1.96 3.52 -1.26 -4.83 118.95 123.01 3k1f s ARG 884 Ca 0.00 2.05 -0.03 0.00 -0.13 0.00 0.00 55.73 57.61 3k1f s ARG 884 Cb 0.00 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.30 3k1f s ARG 884 CO 0.00 -0.03 0.34 0.00 -0.81 0.00 0.00 175.30 174.79 3k1f n MET 885 N 0.93 0.48 -2.11 5.12 0.00 -1.26 -3.79 117.12 116.49 3k1f n MET 885 Ca -0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 57.70 55.75 3k1f n MET 885 Cb 0.43 1.58 -0.03 0.00 0.00 0.00 0.00 33.22 35.21 3k1f n MET 885 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3k1f s LYS 886 N -2.34 4.30 0.40 3.17 -0.14 -1.26 -4.93 119.74 118.93 3k1f s LYS 886 Ca 0.15 2.15 0.15 0.00 -1.36 0.00 0.00 55.97 57.06 3k1f s LYS 886 Cb -0.01 -3.20 0.82 0.00 -1.68 0.00 0.00 37.83 33.76 3k1f s LYS 886 CO 0.11 -0.44 1.87 1.12 -0.76 0.00 0.00 175.35 177.25 3k1f h HIS 887 N 6.34 0.00 -3.15 3.18 2.07 -2.02 -3.43 115.15 118.15 3k1f h HIS 887 Ca -0.43 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.56 3k1f h HIS 887 Cb 1.21 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.20 3k1f h HIS 887 CO 0.64 0.32 0.62 0.20 -3.07 0.00 0.00 177.93 176.64 3k1f s GLY 888 N -4.28 2.28 -0.23 6.13 0.00 -1.26 -4.94 107.32 105.01 3k1f s GLY 888 Ca -0.03 0.95 -0.40 0.00 0.00 0.00 0.00 44.72 45.24 3k1f s GLY 888 CO 0.71 2.13 1.65 -1.30 0.00 0.00 0.00 173.10 176.29 3k1f n THR 889 N 3.84 0.23 -0.06 0.90 -2.24 -1.26 -4.47 114.28 111.22 3k1f n THR 889 Ca 0.09 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.68 3k1f n THR 889 Cb 0.45 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.55 3k1f n THR 889 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3k1f h TYR 890 N 6.51 1.05 0.00 4.78 -1.99 -1.90 -3.13 116.97 122.30 3k1f h TYR 890 Ca -0.47 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 59.86 3k1f h TYR 890 Cb 1.33 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.87 3k1f h TYR 890 CO 0.73 1.23 0.00 -0.25 -0.00 0.00 0.00 178.16 179.87 3k1f n ASP 891 N -4.03 0.00 0.27 3.88 10.43 -1.26 -0.91 116.55 124.94 3k1f n ASP 891 Ca -0.06 0.00 0.18 0.00 2.57 0.00 0.00 54.79 57.48 3k1f n ASP 891 Cb 0.65 0.00 0.80 0.00 1.84 0.00 0.00 41.12 44.41 3k1f n ASP 891 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3k1f h LYS 892 N 0.00 0.00 -7.18 -1.24 1.57 -1.89 -3.45 116.57 104.38 3k1f h LYS 892 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3k1f h LYS 892 Cb 0.00 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.44 3k1f h LYS 892 CO 0.00 0.00 0.39 -0.51 -0.57 0.00 0.00 179.45 178.76 3k1f s LEU 893 N -5.88 3.37 -0.08 2.94 1.43 -0.08 -4.80 118.68 115.57 3k1f s LEU 893 Ca -0.00 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 3k1f s LEU 893 Cb 0.10 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.73 3k1f s LEU 893 CO 0.47 -1.91 -0.16 -1.81 0.23 0.00 0.00 176.35 173.16 3k1f s ASP 894 N -2.26 3.80 0.04 2.29 1.11 -0.23 -4.99 116.67 116.42 3k1f s ASP 894 Ca 0.71 -0.32 0.03 0.00 0.18 0.00 0.00 52.55 53.15 3k1f s ASP 894 Cb -0.25 -1.17 0.11 0.00 1.07 0.00 0.00 42.92 42.68 3k1f s ASP 894 CO 0.42 0.25 0.11 0.47 1.18 0.00 0.00 175.17 177.60 3k1f n ASP 895 N 2.96 0.01 0.00 0.27 9.92 -1.26 -1.17 116.55 127.27 3k1f n ASP 895 Ca -0.18 0.08 0.06 0.00 -0.53 0.00 0.00 54.79 54.23 3k1f n ASP 895 Cb 0.52 -0.04 0.37 0.00 -0.64 0.00 0.00 41.12 41.34 3k1f n ASP 895 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3k1f n ASP 896 N -2.41 0.00 0.00 -2.24 5.75 -1.26 -2.40 116.55 113.99 3k1f n ASP 896 Ca 0.03 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 3k1f n ASP 896 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3k1f n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1f n GLY 897 N 0.47 0.38 3.14 6.12 0.00 -0.32 -4.29 105.19 110.69 3k1f n GLY 897 Ca 0.09 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 3k1f n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 898 N 0.00 2.45 -0.17 0.99 1.43 -1.15 -1.03 118.68 121.20 3k1f s LEU 898 Ca 0.00 -0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 52.14 3k1f s LEU 898 Cb 0.00 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 3k1f s LEU 898 CO 0.00 -0.40 0.03 -0.63 0.23 0.00 0.00 176.35 175.57 3k1f s ILE 899 N -3.09 4.48 0.26 -0.59 1.01 -1.23 -1.07 121.20 120.97 3k1f s ILE 899 Ca 0.07 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3k1f s ILE 899 Cb 0.02 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.39 3k1f s ILE 899 CO -0.04 0.47 1.04 0.00 0.00 0.00 0.00 174.94 176.42 3k1f s ALA 900 N 0.35 3.38 0.30 9.38 0.00 -1.26 -4.92 121.76 128.98 3k1f s ALA 900 Ca 0.01 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 3k1f s ALA 900 Cb -0.13 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3k1f s ALA 900 CO 0.01 -0.04 1.29 -2.30 0.00 0.00 0.00 175.76 174.72 3k1f n PRO 901 N 1.40 1.97 0.00 0.00 -0.02 -1.26 -3.46 135.00 133.62 3k1f n PRO 901 Ca -0.01 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3k1f n PRO 901 Cb 0.46 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3k1f n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1f n GLY 902 N 1.34 1.07 3.72 -1.23 0.00 -0.57 -5.00 105.19 104.51 3k1f n GLY 902 Ca 0.08 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3k1f n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1f s VAL 903 N -0.69 3.05 -0.18 1.61 1.01 -1.23 -4.65 120.40 119.32 3k1f s VAL 903 Ca 0.00 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 3k1f s VAL 903 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3k1f s VAL 903 CO 0.00 0.07 0.79 -0.13 0.00 0.00 0.00 175.10 175.84 3k1f s ARG 904 N 0.83 4.27 0.22 2.72 0.52 -1.26 -1.40 118.95 124.85 3k1f s ARG 904 Ca 0.65 0.93 0.11 0.00 -0.52 0.00 0.00 55.73 56.90 3k1f s ARG 904 Cb -0.39 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 3k1f s ARG 904 CO 0.33 -0.34 -0.21 0.14 0.02 0.00 0.00 175.30 175.24 3k1f s VAL 905 N 2.20 2.48 -0.07 3.52 -7.23 0.20 -4.97 120.40 116.53 3k1f s VAL 905 Ca 0.36 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3k1f s VAL 905 Cb -0.16 -2.23 0.07 0.00 0.56 0.00 0.00 36.38 34.61 3k1f s VAL 905 CO 0.11 -0.22 0.67 -0.94 -0.31 0.00 0.00 175.10 174.42 3k1f s SER 906 N -2.98 -0.65 1.67 4.85 1.04 -1.26 0.08 113.70 116.45 3k1f s SER 906 Ca 0.24 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.44 3k1f s SER 906 Cb -0.07 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3k1f s SER 906 CO 0.12 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3k1f n GLY 907 N 1.09 2.33 0.93 7.32 0.00 -1.15 -2.46 105.19 113.24 3k1f n GLY 907 Ca -0.19 0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.28 3k1f n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1f n GLU 908 N 4.93 2.19 -1.72 1.61 -0.58 -1.26 -3.91 120.64 121.89 3k1f n GLU 908 Ca 0.00 -1.82 -0.43 0.00 -0.42 0.00 0.00 57.16 54.49 3k1f n GLU 908 Cb 0.00 -1.43 -0.02 0.00 -0.57 0.00 0.00 31.44 29.41 3k1f n GLU 908 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3k1f n ASP 909 N 1.00 3.61 -4.73 1.62 9.92 -1.03 -4.32 116.55 122.62 3k1f n ASP 909 Ca 0.18 1.13 -0.41 0.00 -0.53 0.00 0.00 54.79 55.15 3k1f n ASP 909 Cb 0.46 -1.55 -0.05 0.00 -0.64 0.00 0.00 41.12 39.35 3k1f n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3k1f s VAL 910 N 0.27 4.40 -0.06 2.53 1.01 -1.18 -1.11 120.40 126.25 3k1f s VAL 910 Ca 0.68 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.78 3k1f s VAL 910 Cb -0.54 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.42 3k1f s VAL 910 CO 0.45 0.34 0.10 2.30 0.00 0.00 0.00 175.10 178.28 3k1f n ILE 911 N 2.60 0.38 -4.09 2.22 -5.35 -0.39 -4.65 119.36 110.08 3k1f n ILE 911 Ca 0.02 -0.31 -0.23 0.00 -0.27 0.00 0.00 62.75 61.95 3k1f n ILE 911 Cb 0.49 -0.38 -0.17 0.00 -1.74 0.00 0.00 39.64 37.84 3k1f n ILE 911 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3k1f s ILE 912 N -2.38 0.73 -0.51 7.28 1.09 -1.10 -3.58 121.20 122.74 3k1f s ILE 912 Ca -0.04 -0.17 -0.16 0.00 -1.10 0.00 0.00 60.65 59.18 3k1f s ILE 912 Cb 0.04 -0.76 0.10 0.00 -1.06 0.00 0.00 42.46 40.78 3k1f s ILE 912 CO 0.37 0.29 0.45 -0.83 -0.10 0.00 0.00 174.94 175.12 3k1f s GLY 913 N 1.30 2.07 -0.04 6.18 0.00 -0.19 -0.33 107.32 116.30 3k1f s GLY 913 Ca -0.04 -2.34 0.05 0.00 0.00 0.00 0.00 44.72 42.39 3k1f s GLY 913 CO -0.02 1.13 -0.19 1.25 0.00 0.00 0.00 173.10 175.27 3k1f s LYS 914 N 1.62 2.39 -0.15 2.90 2.20 -1.26 -1.93 119.74 125.51 3k1f s LYS 914 Ca 0.04 -0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 54.81 3k1f s LYS 914 Cb -0.27 -2.25 0.06 0.00 -1.51 0.00 0.00 37.83 33.86 3k1f s LYS 914 CO 0.05 0.57 0.08 0.99 -0.36 0.00 0.00 175.35 176.68 3k1f s THR 915 N -0.61 -0.02 -0.07 3.43 2.01 0.38 -0.99 115.64 119.76 3k1f s THR 915 Ca 0.09 -0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 3k1f s THR 915 Cb -0.11 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 3k1f s THR 915 CO 0.00 -0.20 0.88 -0.89 -0.69 0.00 0.00 174.62 173.72 3k1f s THR 916 N 2.11 4.91 -0.82 -0.82 2.01 -0.09 -0.91 115.64 122.03 3k1f s THR 916 Ca 0.02 1.80 -0.23 0.00 0.31 0.00 0.00 61.69 63.60 3k1f s THR 916 Cb -0.15 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.22 3k1f s THR 916 CO -0.08 0.13 1.17 -2.16 -0.69 0.00 0.00 174.62 172.99 3k1f s PRO 917 N 1.36 3.35 -0.32 4.92 0.05 -1.26 -0.33 135.00 142.77 3k1f s PRO 917 Ca 0.45 -1.01 0.03 0.00 0.05 0.00 0.00 61.00 60.51 3k1f s PRO 917 Cb -0.19 -4.63 0.09 0.00 0.05 0.00 0.00 34.50 29.82 3k1f s PRO 917 CO 0.20 -1.96 0.01 0.42 0.05 0.00 0.00 177.00 175.73 3k1f s ILE 918 N 4.25 2.38 -0.40 0.56 1.01 -1.26 -4.92 121.20 122.81 3k1f s ILE 918 Ca 0.32 -2.06 0.10 0.00 0.00 0.00 0.00 60.65 59.01 3k1f s ILE 918 Cb -0.08 -2.62 0.43 0.00 0.01 0.00 0.00 42.46 40.19 3k1f s ILE 918 CO 0.02 -0.41 1.03 -1.54 0.00 0.00 0.00 174.94 174.03 3k1f n SER 919 N 4.35 3.38 -4.86 3.58 3.41 -1.26 -4.35 113.62 117.87 3k1f n SER 919 Ca -0.03 -3.33 -0.31 0.00 -0.26 0.00 0.00 58.87 54.94 3k1f n SER 919 Cb 0.42 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 3k1f n SER 919 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k1f s PRO 920 N -3.34 3.82 -1.25 4.33 0.05 -1.26 -4.95 135.00 132.41 3k1f s PRO 920 Ca 0.40 0.69 -0.19 0.00 0.05 0.00 0.00 61.00 61.96 3k1f s PRO 920 Cb 0.41 -2.25 -0.00 0.00 0.05 0.00 0.00 34.50 32.71 3k1f s PRO 920 CO -0.10 -0.20 1.92 -3.47 0.05 0.00 0.00 177.00 175.20 3k1f n ASP 921 N -1.62 3.98 -4.07 6.66 4.64 -1.26 -4.91 116.55 119.97 3k1f n ASP 921 Ca 0.04 -2.82 -0.22 0.00 -1.38 0.00 0.00 54.79 50.41 3k1f n ASP 921 Cb 0.54 -1.64 -0.15 0.00 -1.04 0.00 0.00 41.12 38.82 3k1f n ASP 921 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3k1f s GLU 922 N 4.56 1.22 -0.21 -0.67 2.02 -1.26 -5.15 118.70 119.20 3k1f s GLU 922 Ca 0.56 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 55.11 3k1f s GLU 922 Cb 0.07 -1.12 0.03 0.00 0.10 0.00 0.00 34.13 33.20 3k1f s GLU 922 CO 0.06 0.20 -0.15 -2.00 0.02 0.00 0.00 175.26 173.39 3k1f s GLU 923 N -0.01 2.83 0.00 1.61 2.12 -1.26 -4.73 118.70 119.26 3k1f s GLU 923 Ca -0.01 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.38 3k1f s GLU 923 Cb -0.08 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.58 3k1f s GLU 923 CO 0.01 -0.31 0.00 -0.85 -0.54 0.00 0.00 175.26 173.56 3k1f n GLU 924 N 4.60 0.56 -3.98 4.30 0.28 -1.26 -5.13 120.64 120.00 3k1f n GLU 924 Ca -0.19 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.68 3k1f n GLU 924 Cb 0.48 -0.05 -0.14 0.00 1.43 0.00 0.00 31.44 33.16 3k1f n GLU 924 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3k1f s LEU 925 N 0.00 2.01 0.00 -1.84 0.20 -1.26 -5.10 118.68 112.68 3k1f s LEU 925 Ca 0.00 -0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.78 3k1f s LEU 925 Cb 0.00 -0.10 0.00 0.00 -0.43 0.00 0.00 46.19 45.66 3k1f s LEU 925 CO 0.00 0.02 0.18 0.61 -0.29 0.00 0.00 176.35 176.87 3k1f n GLY 926 N 3.01 -1.43 0.25 7.98 0.00 -1.26 -1.74 105.19 111.99 3k1f n GLY 926 Ca -0.12 0.26 0.09 0.00 0.00 0.00 0.00 46.02 46.25 3k1f n GLY 926 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k1f h GLN 927 N 0.00 0.00 -0.26 1.61 4.20 -2.00 -1.47 115.11 117.19 3k1f h GLN 927 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3k1f h GLN 927 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 3k1f h GLN 927 CO 0.00 0.13 -0.14 -0.09 -0.67 0.00 0.00 178.83 178.07 3k1f h ARG 928 N 0.00 -0.10 0.00 1.46 1.12 -1.92 -1.23 114.38 113.71 3k1f h ARG 928 Ca -0.00 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.79 3k1f h ARG 928 Cb 0.28 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 3k1f h ARG 928 CO 0.02 -0.07 -0.94 1.15 -3.11 0.00 0.00 179.97 177.02 3k1f h THR 929 N -0.11 0.36 -0.98 0.20 2.02 -1.17 -0.04 112.91 113.20 3k1f h THR 929 Ca 0.14 -1.62 0.04 0.00 0.77 0.00 0.00 66.41 65.73 3k1f h THR 929 Cb 0.32 1.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 3k1f h THR 929 CO -0.33 0.21 0.64 0.00 0.37 0.00 0.00 175.52 176.41 3k1f h ALA 930 N 1.68 1.30 0.00 6.16 0.00 -0.66 -3.35 119.26 124.39 3k1f h ALA 930 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k1f h ALA 930 Cb 1.30 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3k1f h ALA 930 CO 0.03 0.53 -0.81 0.98 0.00 0.00 0.00 179.25 179.98 3k1f n TYR 931 N -4.46 0.00 -3.71 0.00 4.19 -0.52 -5.07 117.16 107.60 3k1f n TYR 931 Ca 0.13 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 61.06 3k1f n TYR 931 Cb 0.10 0.00 0.02 0.00 0.49 0.00 0.00 39.34 39.95 3k1f n TYR 931 CO 0.00 0.00 0.00 -2.39 0.91 0.00 0.00 176.86 175.38 3k1f n HIS 932 N -1.28 -2.00 -1.57 2.98 -0.00 -0.03 -5.05 115.22 108.28 3k1f n HIS 932 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 3k1f n HIS 932 Cb 0.05 -3.20 0.00 0.00 -0.00 0.00 0.00 29.99 26.84 3k1f n HIS 932 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3k1f n SER 933 N -2.43 0.04 -4.76 4.39 7.64 -1.22 -4.84 113.62 112.45 3k1f n SER 933 Ca -0.15 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 3k1f n SER 933 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 3k1f n SER 933 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3k1f s LYS 934 N 2.90 4.46 0.32 1.43 1.02 -1.26 -4.40 119.74 124.20 3k1f s LYS 934 Ca 0.00 2.04 -0.25 0.00 0.02 0.00 0.00 55.97 57.78 3k1f s LYS 934 Cb 0.00 -3.14 -0.10 0.00 -0.52 0.00 0.00 37.83 34.07 3k1f s LYS 934 CO 0.00 -0.07 0.92 -0.98 -0.92 0.00 0.00 175.35 174.29 3k1f s ARG 935 N -1.24 4.52 0.64 1.68 1.70 0.56 -3.35 118.95 123.45 3k1f s ARG 935 Ca 0.49 1.25 -0.14 0.00 -0.47 0.00 0.00 55.73 56.87 3k1f s ARG 935 Cb -0.36 -2.77 -0.01 0.00 -0.57 0.00 0.00 34.95 31.23 3k1f s ARG 935 CO 0.45 0.28 1.06 0.34 -1.08 0.00 0.00 175.30 176.35 3k1f s ASP 936 N -1.66 5.55 0.00 -2.89 3.68 -1.25 -0.91 116.67 119.19 3k1f s ASP 936 Ca 0.50 1.76 0.03 0.00 2.13 0.00 0.00 52.55 56.97 3k1f s ASP 936 Cb -0.18 -2.52 0.05 0.00 -1.45 0.00 0.00 42.92 38.82 3k1f s ASP 936 CO 0.23 -1.33 0.81 0.00 0.13 0.00 0.00 175.17 175.01 3k1f n ALA 937 N -2.51 2.54 -0.46 3.66 0.00 -0.17 -4.67 120.51 118.91 3k1f n ALA 937 Ca 0.08 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.57 3k1f n ALA 937 Cb 0.53 -0.27 0.27 0.00 0.00 0.00 0.00 19.45 19.98 3k1f n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1f s SER 938 N -0.70 -0.01 -0.26 0.00 0.01 -0.97 -4.41 113.70 107.36 3k1f s SER 938 Ca 0.04 1.22 -0.00 0.00 1.31 0.00 0.00 55.95 58.52 3k1f s SER 938 Cb 0.05 -1.85 0.08 0.00 0.21 0.00 0.00 66.02 64.51 3k1f s SER 938 CO -0.02 -4.77 0.02 -0.89 0.41 0.00 0.00 173.24 167.99 3k1f s THR 939 N -2.37 1.19 0.54 1.44 2.01 0.55 -4.87 115.64 114.13 3k1f s THR 939 Ca 0.69 -1.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 3k1f s THR 939 Cb -0.20 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.63 3k1f s THR 939 CO 0.62 -0.35 0.82 -2.16 -0.69 0.00 0.00 174.62 172.86 3k1f s PRO 940 N 1.51 2.99 0.73 4.92 0.04 -1.26 -1.26 135.00 142.67 3k1f s PRO 940 Ca 0.02 -0.16 -0.11 0.00 0.04 0.00 0.00 61.00 60.79 3k1f s PRO 940 Cb -0.18 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.02 3k1f s PRO 940 CO -0.13 -0.55 1.07 -1.17 0.04 0.00 0.00 177.00 176.27 3k1f s LEU 941 N -4.84 3.09 0.13 -3.56 2.96 -0.27 -4.83 118.68 111.36 3k1f s LEU 941 Ca 0.52 1.71 -0.31 0.00 -0.22 0.00 0.00 54.13 55.83 3k1f s LEU 941 Cb -0.10 -4.51 -0.11 0.00 0.50 0.00 0.00 46.19 41.97 3k1f s LEU 941 CO 0.43 -1.71 1.83 0.54 -1.32 0.00 0.00 176.35 176.12 3k1f n ARG 942 N -3.30 2.80 -0.54 1.98 5.12 -1.26 -4.52 116.66 116.95 3k1f n ARG 942 Ca 0.08 1.02 0.45 0.00 -1.93 0.00 0.00 57.85 57.47 3k1f n ARG 942 Cb 0.53 -2.91 0.77 0.00 -1.16 0.00 0.00 32.46 29.69 3k1f n ARG 942 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3k1f h SER 943 N 8.44 0.05 0.00 0.55 4.64 -1.94 -2.46 113.55 122.83 3k1f h SER 943 Ca -0.46 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 3k1f h SER 943 Cb 1.22 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3k1f h SER 943 CO 0.95 -0.02 -0.82 0.35 -0.87 0.00 0.00 176.83 176.42 3k1f n THR 944 N -4.14 1.46 -1.65 2.95 -2.24 -1.26 -4.53 114.28 104.87 3k1f n THR 944 Ca 0.37 0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.92 3k1f n THR 944 Cb 1.66 -2.28 0.07 0.00 -2.10 0.00 0.00 70.33 67.69 3k1f n THR 944 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3k1f s GLU 945 N -2.32 2.42 0.15 -0.78 8.01 -0.93 -4.71 118.70 120.54 3k1f s GLU 945 Ca -0.20 1.93 -0.19 0.00 0.01 0.00 0.00 54.97 56.52 3k1f s GLU 945 Cb 0.04 -1.85 0.05 0.00 -4.31 0.00 0.00 34.13 28.06 3k1f s GLU 945 CO 0.34 -1.66 0.49 0.54 0.01 0.00 0.00 175.26 174.98 3k1f s ASN 946 N -1.65 -0.35 0.00 -0.19 4.22 -1.26 -2.92 114.94 112.79 3k1f s ASN 946 Ca 0.79 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 51.27 3k1f s ASN 946 Cb -0.34 0.53 0.00 0.00 1.28 0.00 0.00 41.25 42.73 3k1f s ASN 946 CO 0.41 -0.93 0.00 0.61 -2.04 0.00 0.00 177.10 175.15 3k1f n GLY 947 N -0.30 -0.56 3.27 0.45 0.00 0.11 -4.77 105.19 103.40 3k1f n GLY 947 Ca -0.15 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 3k1f n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1f s ILE 948 N -3.63 2.18 0.08 -0.61 1.09 -0.35 0.62 121.20 120.59 3k1f s ILE 948 Ca 0.00 -1.00 -0.31 0.00 -1.10 0.00 0.00 60.65 58.24 3k1f s ILE 948 Cb 0.00 -1.82 -0.08 0.00 -1.06 0.00 0.00 42.46 39.50 3k1f s ILE 948 CO 0.00 0.56 1.55 -0.69 -0.10 0.00 0.00 174.94 176.26 3k1f s VAL 949 N 0.02 3.11 -0.19 2.92 1.01 -0.49 -0.95 120.40 125.83 3k1f s VAL 949 Ca -0.09 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 3k1f s VAL 949 Cb -0.15 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3k1f s VAL 949 CO 0.05 0.02 -0.20 -0.67 0.00 0.00 0.00 175.10 174.30 3k1f n ASP 950 N 4.95 1.89 -3.73 3.32 2.03 -0.29 -1.51 116.55 123.20 3k1f n ASP 950 Ca 0.14 0.44 -0.12 0.00 0.52 0.00 0.00 54.79 55.77 3k1f n ASP 950 Cb 0.41 -0.83 -0.11 0.00 -0.72 0.00 0.00 41.12 39.87 3k1f n ASP 950 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3k1f s GLN 951 N -2.54 0.38 -0.17 -0.67 0.74 -1.20 -4.81 119.66 111.40 3k1f s GLN 951 Ca -0.27 0.58 0.01 0.00 0.05 0.00 0.00 55.36 55.73 3k1f s GLN 951 Cb 0.06 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.28 3k1f s GLN 951 CO 0.41 -0.09 -0.19 0.08 -0.55 0.00 0.00 175.29 174.95 3k1f s VAL 952 N 0.65 2.25 -0.26 1.34 1.01 -1.26 -0.84 120.40 123.29 3k1f s VAL 952 Ca -0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3k1f s VAL 952 Cb -0.05 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.43 3k1f s VAL 952 CO -0.04 0.53 -0.05 -0.22 0.00 0.00 0.00 175.10 175.31 3k1f s LEU 953 N 1.07 3.42 -0.33 3.92 0.20 0.31 -5.03 118.68 122.23 3k1f s LEU 953 Ca -0.01 -1.07 -0.06 0.00 0.69 0.00 0.00 54.13 53.69 3k1f s LEU 953 Cb -0.14 -1.66 0.04 0.00 -0.43 0.00 0.00 46.19 44.00 3k1f s LEU 953 CO -0.06 -0.17 0.09 -0.69 -0.29 0.00 0.00 176.35 175.22 3k1f s VAL 954 N 1.27 3.68 0.00 1.68 1.01 -1.26 -1.19 120.40 125.59 3k1f s VAL 954 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.82 3k1f s VAL 954 Cb -0.18 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3k1f s VAL 954 CO -0.04 -0.15 0.00 0.41 0.00 0.00 0.00 175.10 175.32 3k1f n THR 955 N 4.79 0.00 -3.96 3.92 -1.04 0.11 -5.00 114.28 113.10 3k1f n THR 955 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3k1f n THR 955 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 3k1f n THR 955 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3k1f n THR 956 N 0.00 0.00 -3.53 12.58 -2.24 -1.26 -0.97 114.28 118.87 3k1f n THR 956 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k1f n THR 956 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3k1f n THR 956 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3k1f n ASN 957 N -2.66 0.00 0.09 3.42 2.04 -1.23 -4.69 115.26 112.22 3k1f n ASN 957 Ca 0.00 -0.65 0.18 0.00 -0.44 0.00 0.00 54.58 53.67 3k1f n ASN 957 Cb 0.00 0.00 0.72 0.00 -2.53 0.00 0.00 39.78 37.97 3k1f n ASN 957 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 3k1f h GLN 958 N 0.00 0.00 0.00 -3.83 4.20 -1.90 0.11 115.11 113.69 3k1f h GLN 958 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k1f h GLN 958 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3k1f h GLN 958 CO 0.00 0.00 -1.86 -0.40 -0.67 0.00 0.00 178.83 175.90 3k1f n ASP 959 N -4.21 0.12 0.00 1.46 3.85 -1.26 -3.07 116.55 113.45 3k1f n ASP 959 Ca 0.06 -0.04 0.00 0.00 -0.71 0.00 0.00 54.79 54.11 3k1f n ASP 959 Cb 0.48 1.82 0.00 0.00 -1.35 0.00 0.00 41.12 42.07 3k1f n ASP 959 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3k1f n GLY 960 N 1.27 0.82 3.76 6.12 0.00 0.03 -4.57 105.19 112.62 3k1f n GLY 960 Ca -0.03 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3k1f n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 961 N 0.00 4.54 -0.69 0.99 1.43 -1.26 -4.54 118.68 119.15 3k1f s LEU 961 Ca 0.00 2.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.82 3k1f s LEU 961 Cb 0.00 -3.72 -0.13 0.00 0.03 0.00 0.00 46.19 42.36 3k1f s LEU 961 CO 0.00 0.02 2.52 0.29 0.23 0.00 0.00 176.35 179.40 3k1f n LYS 962 N 1.16 0.62 -3.57 1.70 5.02 -1.26 -3.56 118.16 118.27 3k1f n LYS 962 Ca -0.01 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 3k1f n LYS 962 Cb 0.47 -2.59 -0.06 0.00 -0.02 0.00 0.00 35.03 32.83 3k1f n LYS 962 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3k1f s PHE 963 N 10.58 3.59 -0.04 2.13 5.36 -0.14 -3.19 117.98 136.27 3k1f s PHE 963 Ca 1.14 0.75 -0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3k1f s PHE 963 Cb -0.66 -2.26 0.03 0.00 -0.34 0.00 0.00 43.02 39.78 3k1f s PHE 963 CO 0.37 0.48 0.04 0.54 -1.46 0.00 0.00 175.22 175.19 3k1f s VAL 964 N -0.37 -0.02 -0.12 3.12 0.11 -0.31 -0.71 120.40 122.09 3k1f s VAL 964 Ca 0.20 0.33 0.03 0.00 -2.93 0.00 0.00 61.98 59.60 3k1f s VAL 964 Cb -0.14 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 3k1f s VAL 964 CO 0.08 0.17 -0.21 -0.75 -3.33 0.00 0.00 175.10 171.05 3k1f s LYS 965 N 1.83 2.87 -0.11 1.54 2.20 -0.33 -1.35 119.74 126.39 3k1f s LYS 965 Ca 0.01 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 3k1f s LYS 965 Cb -0.12 -2.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.94 3k1f s LYS 965 CO -0.03 0.04 -0.11 0.08 -0.36 0.00 0.00 175.35 174.97 3k1f s VAL 966 N 0.69 1.21 -0.02 4.02 1.01 0.02 -0.53 120.40 126.80 3k1f s VAL 966 Ca -0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3k1f s VAL 966 Cb -0.16 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3k1f s VAL 966 CO 0.02 0.39 0.14 -0.60 0.00 0.00 0.00 175.10 175.05 3k1f s ARG 967 N 1.41 3.29 -0.02 2.72 3.52 -0.02 0.44 118.95 130.29 3k1f s ARG 967 Ca 0.01 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 3k1f s ARG 967 Cb -0.13 -3.01 -0.00 0.00 -1.56 0.00 0.00 34.95 30.24 3k1f s ARG 967 CO -0.06 0.67 -0.13 0.08 -0.81 0.00 0.00 175.30 175.05 3k1f s VAL 968 N -1.24 1.09 -0.09 7.11 1.01 -0.63 -1.14 120.40 126.51 3k1f s VAL 968 Ca 0.24 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3k1f s VAL 968 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3k1f s VAL 968 CO 0.15 0.32 0.12 -0.13 0.00 0.00 0.00 175.10 175.56 3k1f s ARG 969 N -0.06 3.33 -0.18 2.72 0.52 -0.12 -2.09 118.95 123.07 3k1f s ARG 969 Ca 0.00 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 54.88 3k1f s ARG 969 Cb -0.08 -3.08 0.06 0.00 0.52 0.00 0.00 34.95 32.37 3k1f s ARG 969 CO 0.01 0.74 0.43 0.99 0.02 0.00 0.00 175.30 177.49 3k1f s THR 970 N -1.07 -0.10 -0.22 0.02 2.01 -0.62 -1.21 115.64 114.45 3k1f s THR 970 Ca 0.17 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 3k1f s THR 970 Cb -0.12 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 3k1f s THR 970 CO 0.07 0.04 0.69 -0.89 -0.69 0.00 0.00 174.62 173.83 3k1f s THR 971 N 1.57 4.97 -0.51 -0.82 2.01 -1.26 -1.28 115.64 120.32 3k1f s THR 971 Ca -0.09 1.29 -0.08 0.00 0.31 0.00 0.00 61.69 63.12 3k1f s THR 971 Cb -0.09 -3.99 0.13 0.00 0.01 0.00 0.00 72.50 68.56 3k1f s THR 971 CO -0.13 0.05 0.37 -0.54 -0.69 0.00 0.00 174.62 173.67 3k1f s LYS 972 N 2.24 2.50 0.10 4.92 1.02 0.12 -5.00 119.74 125.64 3k1f s LYS 972 Ca 0.30 -1.91 -0.25 0.00 0.02 0.00 0.00 55.97 54.13 3k1f s LYS 972 Cb -0.16 -3.89 -0.06 0.00 -0.52 0.00 0.00 37.83 33.20 3k1f s LYS 972 CO 0.10 -1.18 0.77 0.42 -0.92 0.00 0.00 175.35 174.54 3k1f s ILE 973 N 1.08 4.58 -0.26 2.17 1.09 -1.26 -2.48 121.20 126.12 3k1f s ILE 973 Ca 0.08 1.67 -0.39 0.00 -1.10 0.00 0.00 60.65 60.91 3k1f s ILE 973 Cb -0.24 -4.13 -0.15 0.00 -1.06 0.00 0.00 42.46 36.89 3k1f s ILE 973 CO -0.02 0.43 1.82 -0.81 -0.10 0.00 0.00 174.94 176.26 3k1f n PRO 974 N 2.30 1.28 -2.57 2.79 -0.04 -1.26 -4.97 135.00 132.53 3k1f n PRO 974 Ca -0.04 0.46 -0.22 0.00 -0.04 0.00 0.00 63.50 63.66 3k1f n PRO 974 Cb 0.50 -2.21 0.05 0.00 -0.04 0.00 0.00 33.50 31.79 3k1f n PRO 974 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3k1f s GLN 975 N 3.98 2.42 0.64 0.54 -1.52 -1.26 -5.00 119.66 119.46 3k1f s GLN 975 Ca 0.99 -0.73 0.35 0.00 -1.95 0.00 0.00 55.36 54.02 3k1f s GLN 975 Cb -1.00 -2.43 1.96 0.00 -0.22 0.00 0.00 33.01 31.32 3k1f s GLN 975 CO 0.62 -0.85 2.16 0.97 -0.25 0.00 0.00 175.29 177.94 3k1f h ILE 976 N -0.07 0.14 0.00 1.08 6.09 -1.93 -2.86 117.51 119.96 3k1f h ILE 976 Ca -0.42 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 3k1f h ILE 976 Cb 1.30 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.44 3k1f h ILE 976 CO 0.52 0.00 -0.04 0.61 -3.07 0.00 0.00 178.15 176.17 3k1f n GLY 977 N -1.22 2.83 3.75 8.18 0.00 -1.26 -3.98 105.19 113.49 3k1f n GLY 977 Ca -0.01 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3k1f n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1f s ASP 978 N -1.57 7.18 0.21 1.61 1.11 -1.08 -3.98 116.67 120.16 3k1f s ASP 978 Ca 0.12 2.27 -0.30 0.00 0.18 0.00 0.00 52.55 54.82 3k1f s ASP 978 Cb 0.10 -2.62 -0.08 0.00 1.07 0.00 0.00 42.92 41.39 3k1f s ASP 978 CO 0.01 -0.24 1.02 -0.75 1.18 0.00 0.00 175.17 176.39 3k1f s LYS 979 N -1.02 4.72 -0.01 8.23 2.20 -1.06 -1.63 119.74 131.18 3k1f s LYS 979 Ca 0.48 1.61 -0.00 0.00 -0.36 0.00 0.00 55.97 57.69 3k1f s LYS 979 Cb -0.32 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3k1f s LYS 979 CO 0.40 0.29 0.02 -0.06 -0.36 0.00 0.00 175.35 175.64 3k1f s PHE 980 N -0.76 0.00 -0.02 4.03 0.40 0.08 -1.43 117.98 120.28 3k1f s PHE 980 Ca 0.45 0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.83 3k1f s PHE 980 Cb -0.28 -0.08 0.01 0.00 0.51 0.00 0.00 43.02 43.19 3k1f s PHE 980 CO 0.34 -0.03 0.04 0.00 0.70 0.00 0.00 175.22 176.27 3k1f s ALA 981 N 0.37 -0.06 0.84 5.36 0.00 -0.54 -1.69 121.76 126.05 3k1f s ALA 981 Ca -0.03 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 3k1f s ALA 981 Cb -0.04 -0.12 0.11 0.00 0.00 0.00 0.00 23.12 23.06 3k1f s ALA 981 CO -0.01 -0.05 1.21 -1.54 0.00 0.00 0.00 175.76 175.38 3k1f s SER 982 N 0.33 4.18 0.00 0.00 1.04 -1.25 -1.00 113.70 117.00 3k1f s SER 982 Ca -0.03 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3k1f s SER 982 Cb -0.04 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.04 3k1f s SER 982 CO -0.01 -2.10 1.23 0.54 0.98 0.00 0.00 173.24 173.88 3k1f n ARG 983 N -3.42 0.95 -1.76 4.02 1.74 -1.25 -3.93 116.66 113.02 3k1f n ARG 983 Ca 0.10 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 3k1f n ARG 983 Cb 0.61 -1.02 0.03 0.00 -1.02 0.00 0.00 32.46 31.05 3k1f n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k1f n HIS 984 N 0.81 0.27 -2.29 -1.55 8.25 -1.26 -4.61 115.22 114.84 3k1f n HIS 984 Ca 0.00 -0.86 -0.13 0.00 -0.26 0.00 0.00 57.72 56.47 3k1f n HIS 984 Cb 0.48 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 3k1f n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k1f n GLY 985 N 0.24 -0.18 2.80 -1.41 0.00 -1.25 -4.85 105.19 100.54 3k1f n GLY 985 Ca 0.07 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3k1f n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k1f n GLN 986 N -2.33 4.52 -2.38 1.61 -0.06 -1.26 -4.95 117.38 112.54 3k1f n GLN 986 Ca -0.15 -4.64 -0.42 0.00 -2.00 0.00 0.00 57.00 49.78 3k1f n GLN 986 Cb 0.62 -2.44 -0.03 0.00 -4.06 0.00 0.00 30.24 24.33 3k1f n GLN 986 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3k1f s LYS 987 N -3.40 4.30 -0.17 3.69 0.00 -1.26 -3.76 119.74 119.14 3k1f s LYS 987 Ca 0.37 1.76 -0.28 0.00 0.00 0.00 0.00 55.97 57.82 3k1f s LYS 987 Cb 0.13 -3.63 0.07 0.00 0.00 0.00 0.00 37.83 34.40 3k1f s LYS 987 CO -0.01 -0.56 0.70 0.20 0.00 0.00 0.00 175.35 175.68 3k1f s GLY 988 N 1.78 -0.56 0.56 0.59 0.00 -0.68 -4.89 107.32 104.13 3k1f s GLY 988 Ca 0.58 1.71 -0.07 0.00 0.00 0.00 0.00 44.72 46.94 3k1f s GLY 988 CO 0.21 1.39 0.91 -0.51 0.00 0.00 0.00 173.10 175.10 3k1f s THR 989 N -0.32 4.42 0.41 0.90 -4.23 -1.26 -0.74 115.64 114.81 3k1f s THR 989 Ca -0.05 0.35 -0.26 0.00 -1.18 0.00 0.00 61.69 60.56 3k1f s THR 989 Cb -0.03 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 70.00 3k1f s THR 989 CO 0.05 -0.81 1.27 -0.63 -0.54 0.00 0.00 174.62 173.95 3k1f s ILE 990 N -2.97 2.75 -0.20 2.99 1.01 -0.64 -1.50 121.20 122.64 3k1f s ILE 990 Ca 0.52 0.66 -0.17 0.00 0.00 0.00 0.00 60.65 61.66 3k1f s ILE 990 Cb -0.11 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 3k1f s ILE 990 CO 0.48 0.08 -0.32 0.61 0.00 0.00 0.00 174.94 175.79 3k1f n GLY 991 N 0.66 -0.57 3.22 6.18 0.00 0.55 -4.28 105.19 110.96 3k1f n GLY 991 Ca 0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 3k1f n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k1f s ILE 992 N -2.76 0.05 -0.30 -0.61 2.07 -1.26 -4.96 121.20 113.43 3k1f s ILE 992 Ca -0.30 -0.41 -0.23 0.00 -1.41 0.00 0.00 60.65 58.30 3k1f s ILE 992 Cb 0.06 -0.57 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 3k1f s ILE 992 CO 0.43 -0.22 0.78 0.42 -1.91 0.00 0.00 174.94 174.44 3k1f s THR 993 N -1.06 4.81 -0.12 4.00 -4.23 -1.26 -1.74 115.64 116.03 3k1f s THR 993 Ca -0.11 1.22 0.02 0.00 -1.18 0.00 0.00 61.69 61.63 3k1f s THR 993 Cb -0.05 -4.13 0.02 0.00 1.34 0.00 0.00 72.50 69.67 3k1f s THR 993 CO 0.03 -0.22 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.42 3k1f s TYR 994 N 2.92 2.19 0.73 3.99 4.12 -0.27 -4.83 117.35 126.20 3k1f s TYR 994 Ca 0.32 -1.09 -0.14 0.00 0.02 0.00 0.00 57.07 56.18 3k1f s TYR 994 Cb -0.14 -1.56 0.04 0.00 -1.52 0.00 0.00 41.96 38.78 3k1f s TYR 994 CO 0.12 -0.55 1.14 1.03 0.02 0.00 0.00 175.55 177.31 3k1f s ARG 995 N 1.05 2.28 0.51 -0.62 0.52 -1.26 -0.37 118.95 121.06 3k1f s ARG 995 Ca -0.04 1.49 0.29 0.00 -0.52 0.00 0.00 55.73 56.95 3k1f s ARG 995 Cb -0.15 -1.88 1.41 0.00 0.52 0.00 0.00 34.95 34.85 3k1f s ARG 995 CO -0.04 -1.67 1.87 0.00 0.02 0.00 0.00 175.30 175.48 3k1f h ARG 996 N -0.50 0.09 0.63 3.54 3.08 -1.95 -2.86 114.38 116.41 3k1f h ARG 996 Ca -0.46 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 3k1f h ARG 996 Cb 1.26 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.30 3k1f h ARG 996 CO 0.51 0.06 -0.30 0.93 -1.07 0.00 0.00 179.97 180.09 3k1f h GLU 997 N 0.09 -0.82 -0.44 0.04 3.07 -1.95 -3.20 114.58 111.37 3k1f h GLU 997 Ca 0.46 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 3k1f h GLU 997 Cb 1.67 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 29.77 3k1f h GLU 997 CO -0.05 -0.51 0.00 -0.25 -1.40 0.00 0.00 179.01 176.80 3k1f n ASP 998 N -5.37 0.44 -4.62 1.42 8.00 -1.08 -4.52 116.55 110.82 3k1f n ASP 998 Ca -0.12 -1.14 -0.32 0.00 0.71 0.00 0.00 54.79 53.92 3k1f n ASP 998 Cb 0.36 -0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 3k1f n ASP 998 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3k1f s MET 999 N -1.23 2.61 0.55 -1.24 1.75 -1.21 -4.68 119.30 115.85 3k1f s MET 999 Ca 0.00 -0.69 -0.19 0.00 -1.25 0.00 0.00 55.69 53.56 3k1f s MET 999 Cb 0.00 -2.55 -0.05 0.00 2.84 0.00 0.00 34.83 35.07 3k1f s MET 999 CO 0.00 0.61 1.11 -1.25 -0.65 0.00 0.00 175.02 174.84 3k1f s PRO 1000N -1.45 3.34 0.01 4.11 0.04 -1.26 -3.50 135.00 136.29 3k1f s PRO 1000Ca 0.18 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 3k1f s PRO 1000Cb -0.11 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3k1f s PRO 1000CO 0.08 -0.84 0.10 -0.59 0.04 0.00 0.00 177.00 175.79 3k1f s PHE 1001N -1.90 0.12 0.99 0.56 -0.12 -0.60 -4.30 117.98 112.73 3k1f s PHE 1001Ca 0.71 -0.29 -0.12 0.00 -0.05 0.00 0.00 56.93 57.17 3k1f s PHE 1001Cb -0.22 -0.10 0.18 0.00 -0.63 0.00 0.00 43.02 42.25 3k1f s PHE 1001CO 0.28 -0.29 1.09 0.95 -0.05 0.00 0.00 175.22 177.21 3k1f s THR 1002N -1.68 2.13 0.53 -4.49 -4.23 -1.09 -0.70 115.64 106.11 3k1f s THR 1002Ca -0.13 0.04 0.26 0.00 -1.18 0.00 0.00 61.69 60.68 3k1f s THR 1002Cb -0.07 -2.54 0.40 0.00 1.34 0.00 0.00 72.50 71.64 3k1f s THR 1002CO -0.00 -0.06 1.99 0.00 -0.54 0.00 0.00 174.62 176.01 3k1f h ALA 1003N -1.86 2.49 0.00 3.99 0.00 -1.94 0.15 119.26 122.09 3k1f h ALA 1003Ca -0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3k1f h ALA 1003Cb 1.32 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3k1f h ALA 1003CO 0.57 -0.67 -0.13 0.93 0.00 0.00 0.00 179.25 179.96 3k1f h GLU 1004N 0.00 0.00 0.00 0.00 5.08 -1.94 -3.47 114.58 114.25 3k1f h GLU 1004Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3k1f h GLU 1004Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3k1f h GLU 1004CO -0.00 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 3k1f n GLY 1005N 0.34 0.87 3.68 -3.84 0.00 0.52 -5.05 105.19 101.70 3k1f n GLY 1005Ca 0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3k1f n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1f s ILE 1006N -2.00 3.68 -0.20 -0.61 1.01 -1.26 -4.75 121.20 117.07 3k1f s ILE 1006Ca 0.00 0.98 -0.14 0.00 0.00 0.00 0.00 60.65 61.49 3k1f s ILE 1006Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3k1f s ILE 1006CO 0.00 -0.04 0.31 -0.69 0.00 0.00 0.00 174.94 174.52 3k1f s VAL 1007N 3.04 5.27 0.19 2.92 1.01 -1.26 -2.67 120.40 128.89 3k1f s VAL 1007Ca 0.66 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 3k1f s VAL 1007Cb -0.31 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3k1f s VAL 1007CO 0.26 0.31 1.20 -2.16 0.00 0.00 0.00 175.10 174.71 3k1f s PRO 1008N 1.04 4.49 0.36 2.72 0.04 -1.26 -4.92 135.00 137.47 3k1f s PRO 1008Ca 0.15 1.88 0.18 0.00 0.04 0.00 0.00 61.00 63.25 3k1f s PRO 1008Cb -0.14 -3.24 0.61 0.00 0.04 0.00 0.00 34.50 31.77 3k1f s PRO 1008CO 0.06 -0.09 1.70 -0.44 0.04 0.00 0.00 177.00 178.27 3k1f h ASP 1009N 5.22 0.00 -3.84 6.66 3.32 -1.34 -3.41 116.42 123.03 3k1f h ASP 1009Ca -0.45 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.19 3k1f h ASP 1009Cb 1.21 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.46 3k1f h ASP 1009CO 0.74 0.41 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.13 3k1f s LEU 1010N -7.07 1.81 -0.32 1.55 1.02 -0.98 -1.04 118.68 113.65 3k1f s LEU 1010Ca 0.00 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.01 3k1f s LEU 1010Cb 0.11 -0.50 0.09 0.00 0.02 0.00 0.00 46.19 45.91 3k1f s LEU 1010CO 0.70 0.06 0.03 -0.63 0.02 0.00 0.00 176.35 176.53 3k1f s ILE 1011N 0.15 1.99 0.20 -0.59 1.01 0.28 -1.53 121.20 122.70 3k1f s ILE 1011Ca -0.02 -2.03 -0.02 0.00 0.00 0.00 0.00 60.65 58.58 3k1f s ILE 1011Cb -0.07 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3k1f s ILE 1011CO 0.00 -0.51 0.41 0.27 0.00 0.00 0.00 174.94 175.11 3k1f s ILE 1012N 1.08 5.17 -0.23 2.92 -4.36 -0.60 -1.34 121.20 123.85 3k1f s ILE 1012Ca 0.07 -0.22 -0.29 0.00 -0.26 0.00 0.00 60.65 59.95 3k1f s ILE 1012Cb -0.19 -3.71 -0.03 0.00 1.25 0.00 0.00 42.46 39.79 3k1f s ILE 1012CO -0.10 -0.14 1.65 0.21 0.24 0.00 0.00 174.94 176.80 3k1f s ASN 1013N -3.00 6.32 0.16 4.36 3.04 -1.26 -2.93 114.94 121.63 3k1f s ASN 1013Ca 0.40 1.62 0.11 0.00 0.04 0.00 0.00 52.86 55.02 3k1f s ASN 1013Cb -0.11 -2.53 0.58 0.00 -1.54 0.00 0.00 41.25 37.64 3k1f s ASN 1013CO 0.28 -1.31 1.32 -0.81 -3.04 0.00 0.00 177.10 173.54 3k1f n PRO 1014N 7.75 0.07 0.08 0.43 -0.04 -1.26 -1.89 135.00 140.15 3k1f n PRO 1014Ca 0.19 0.57 -0.14 0.00 -0.04 0.00 0.00 63.50 64.08 3k1f n PRO 1014Cb 0.45 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 3k1f n PRO 1014CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3k1f h HIS 1015N 0.00 0.37 -0.40 0.54 3.86 -1.94 -3.34 115.15 114.24 3k1f h HIS 1015Ca 0.00 -0.27 -0.25 0.00 -1.16 0.00 0.00 60.37 58.69 3k1f h HIS 1015Cb 0.01 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.36 3k1f h HIS 1015CO 0.00 1.24 0.24 0.00 0.86 0.00 0.00 177.93 180.27 3k1f n ALA 1016N -2.53 5.13 0.03 2.45 0.00 -0.79 -3.99 120.51 120.81 3k1f n ALA 1016Ca -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.90 3k1f n ALA 1016Cb 1.01 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3k1f n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k1f n ILE 1017N 0.89 0.43 0.10 0.00 2.08 -1.25 -4.69 119.36 116.91 3k1f n ILE 1017Ca 0.26 0.14 -0.13 0.00 0.56 0.00 0.00 62.75 63.58 3k1f n ILE 1017Cb 0.58 -1.29 -0.08 0.00 -0.75 0.00 0.00 39.64 38.11 3k1f n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3k1f h PRO 1018N 0.00 -0.18 0.00 0.38 0.11 -1.79 -2.19 132.00 128.34 3k1f h PRO 1018Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3k1f h PRO 1018Cb 0.41 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3k1f h PRO 1018CO 0.00 -0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 176.63 3k1f n SER 1019N -5.12 0.57 -0.06 -2.05 3.41 -1.26 -2.17 113.62 106.94 3k1f n SER 1019Ca -0.09 0.76 -0.03 0.00 -0.26 0.00 0.00 58.87 59.26 3k1f n SER 1019Cb 0.14 -0.83 -0.15 0.00 -0.26 0.00 0.00 64.21 63.10 3k1f n SER 1019CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3k1f n ARG 1020N -2.26 0.83 -3.72 4.33 5.12 -1.11 -5.02 116.66 114.83 3k1f n ARG 1020Ca -0.01 -0.07 -0.26 0.00 -1.93 0.00 0.00 57.85 55.58 3k1f n ARG 1020Cb 0.05 -1.48 0.06 0.00 -1.16 0.00 0.00 32.46 29.93 3k1f n ARG 1020CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3k1f n MET 1021N -2.52 -6.80 -2.28 5.56 2.81 -0.84 -4.85 117.12 108.20 3k1f n MET 1021Ca -0.21 0.73 -0.41 0.00 -1.81 0.00 0.00 57.70 55.99 3k1f n MET 1021Cb 0.91 -5.70 0.00 0.00 -0.71 0.00 0.00 33.22 27.72 3k1f n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3k1f n THR 1022N -4.80 4.90 -0.01 2.03 5.66 -1.25 -3.83 114.28 116.99 3k1f n THR 1022Ca -0.01 -4.60 -0.18 0.00 -3.05 0.00 0.00 64.05 56.20 3k1f n THR 1022Cb 0.56 -2.17 -0.08 0.00 -1.55 0.00 0.00 70.33 67.09 3k1f n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3k1f h VAL 1023N 3.17 1.28 0.00 1.08 2.07 -1.91 -3.18 116.25 118.75 3k1f h VAL 1023Ca 0.51 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3k1f h VAL 1023Cb 0.48 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3k1f h VAL 1023CO 1.52 0.63 0.07 0.00 0.02 0.00 0.00 177.57 179.81 3k1f n ALA 1024N -2.61 0.91 0.01 1.67 0.00 -1.25 -1.20 120.51 118.03 3k1f n ALA 1024Ca -0.08 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 3k1f n ALA 1024Cb 0.76 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 3k1f n ALA 1024CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k1f h HIS 1025N 0.00 0.42 -0.62 0.00 6.17 -1.88 -0.08 115.15 119.16 3k1f h HIS 1025Ca 0.00 -0.31 -0.09 0.00 0.71 0.00 0.00 60.37 60.68 3k1f h HIS 1025Cb 0.15 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 3k1f h HIS 1025CO 0.00 1.46 0.02 -0.07 0.71 0.00 0.00 177.93 180.05 3k1f h LEU 1026N -0.40 1.06 -1.01 0.26 3.38 -1.27 -1.50 115.31 115.83 3k1f h LEU 1026Ca -0.25 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 3k1f h LEU 1026Cb 1.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 3k1f h LEU 1026CO 0.06 1.09 -0.14 0.40 0.09 0.00 0.00 178.44 179.94 3k1f h ILE 1027N 0.99 1.24 -0.56 1.22 2.04 -1.31 -1.48 117.51 119.65 3k1f h ILE 1027Ca 0.18 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 3k1f h ILE 1027Cb 0.53 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3k1f h ILE 1027CO 0.03 0.36 0.20 -0.08 0.00 0.00 0.00 178.15 178.65 3k1f h GLU 1028N 0.50 0.86 -0.42 2.37 4.81 -0.51 -1.42 114.58 120.77 3k1f h GLU 1028Ca 0.09 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 3k1f h GLU 1028Cb 0.54 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3k1f h GLU 1028CO 0.03 0.76 -0.08 0.00 -0.73 0.00 0.00 179.01 178.99 3k1f h LEU 1030N 0.62 0.66 -0.24 0.00 5.85 -1.11 -0.53 115.31 120.56 3k1f h LEU 1030Ca 0.11 -0.25 -0.21 0.00 0.84 0.00 0.00 57.88 58.38 3k1f h LEU 1030Cb 0.61 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.46 3k1f h LEU 1030CO 0.04 0.90 -0.68 0.25 -0.34 0.00 0.00 178.44 178.61 3k1f h LEU 1031N 0.55 0.94 -0.92 2.25 5.85 -1.20 -3.11 115.31 119.68 3k1f h LEU 1031Ca 0.07 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 3k1f h LEU 1031Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3k1f h LEU 1031CO 0.06 1.36 -0.52 0.28 -0.34 0.00 0.00 178.44 179.29 3k1f h SER 1032N 0.59 0.00 -0.01 1.25 0.02 -1.07 -1.19 113.55 113.14 3k1f h SER 1032Ca -0.02 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3k1f h SER 1032Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3k1f h SER 1032CO 0.14 0.52 -0.39 0.50 -1.14 0.00 0.00 176.83 176.46 3k1f h LYS 1033N 0.00 0.52 0.36 3.45 3.64 -1.11 -2.74 116.57 120.68 3k1f h LYS 1033Ca -0.01 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 3k1f h LYS 1033Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3k1f h LYS 1033CO 0.07 0.83 -0.17 0.28 -2.27 0.00 0.00 179.45 178.18 3k1f h VAL 1034N 0.43 0.46 -0.95 2.00 2.07 -1.45 -3.18 116.25 115.63 3k1f h VAL 1034Ca 0.04 -0.69 0.22 0.00 0.82 0.00 0.00 66.70 67.09 3k1f h VAL 1034Cb 0.87 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3k1f h VAL 1034CO 0.07 0.10 0.62 0.00 0.02 0.00 0.00 177.57 178.38 3k1f h ALA 1035N -0.62 2.22 0.01 1.67 0.00 -1.25 0.80 119.26 122.08 3k1f h ALA 1035Ca -0.05 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3k1f h ALA 1035Cb 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3k1f h ALA 1035CO 0.08 -0.53 -0.95 0.00 0.00 0.00 0.00 179.25 177.85 3k1f h ALA 1036N 1.61 0.38 0.01 0.00 0.00 -1.59 -2.33 119.26 117.33 3k1f h ALA 1036Ca 0.50 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3k1f h ALA 1036Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3k1f h ALA 1036CO -0.20 0.85 -0.13 -0.07 0.00 0.00 0.00 179.25 179.70 3k1f h LEU 1037N 0.19 0.10 -1.15 0.00 3.38 -1.22 -3.33 115.31 113.28 3k1f h LEU 1037Ca -0.07 -0.83 -0.06 0.00 0.09 0.00 0.00 57.88 57.01 3k1f h LEU 1037Cb 1.59 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3k1f h LEU 1037CO 0.16 0.92 -0.31 0.77 0.09 0.00 0.00 178.44 180.07 3k1f h SER 1038N -0.70 0.00 0.00 -0.43 4.64 -1.03 -3.48 113.55 112.56 3k1f h SER 1038Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3k1f h SER 1038Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3k1f h SER 1038CO 0.02 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3k1f n GLY 1039N 0.01 2.19 3.64 -0.77 0.00 -0.88 -4.98 105.19 104.40 3k1f n GLY 1039Ca -0.01 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3k1f n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1f s ASN 1040N 0.00 6.30 0.16 1.61 0.01 -1.26 -4.87 114.94 116.88 3k1f s ASN 1040Ca 0.00 2.11 -0.34 0.00 -0.71 0.00 0.00 52.86 53.92 3k1f s ASN 1040Cb 0.00 -2.53 -0.15 0.00 0.41 0.00 0.00 41.25 38.98 3k1f s ASN 1040CO 0.00 -1.25 1.38 1.21 -1.51 0.00 0.00 177.10 176.93 3k1f n GLU 1041N 7.71 1.61 -2.32 -0.60 2.13 -1.26 -4.59 120.64 123.32 3k1f n GLU 1041Ca 0.21 0.58 -0.35 0.00 0.66 0.00 0.00 57.16 58.25 3k1f n GLU 1041Cb 0.43 -2.23 -0.01 0.00 0.27 0.00 0.00 31.44 29.91 3k1f n GLU 1041CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3k1f s GLY 1042N 0.46 2.63 -0.33 8.31 0.00 -0.45 -4.96 107.32 112.98 3k1f s GLY 1042Ca 0.77 0.80 -0.10 0.00 0.00 0.00 0.00 44.72 46.18 3k1f s GLY 1042CO 0.46 1.16 0.18 -0.35 0.00 0.00 0.00 173.10 174.55 3k1f s ASP 1043N -1.75 5.67 -0.14 1.64 2.15 -1.26 -1.31 116.67 121.66 3k1f s ASP 1043Ca 0.70 -0.60 0.17 0.00 0.43 0.00 0.00 52.55 53.25 3k1f s ASP 1043Cb -0.23 -2.03 0.76 0.00 -0.30 0.00 0.00 42.92 41.12 3k1f s ASP 1043CO 0.27 -0.24 1.67 0.00 -0.17 0.00 0.00 175.17 176.70 3k1f n ALA 1044N 5.01 3.30 -1.71 3.66 0.00 -0.19 -4.78 120.51 125.79 3k1f n ALA 1044Ca -0.13 -1.68 -0.39 0.00 0.00 0.00 0.00 53.44 51.24 3k1f n ALA 1044Cb 0.49 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.91 3k1f n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k1f n SER 1045N 1.04 2.38 0.00 0.00 7.64 -1.26 -1.24 113.62 122.19 3k1f n SER 1045Ca 0.27 1.00 0.00 0.00 1.01 0.00 0.00 58.87 61.15 3k1f n SER 1045Cb 0.98 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3k1f n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3k1f n PRO 1046N -0.61 0.00 -2.11 1.43 -0.02 -1.26 -4.53 135.00 127.91 3k1f n PRO 1046Ca 0.09 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3k1f n PRO 1046Cb 0.43 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 3k1f n PRO 1046CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3k1f n PHE 1047N -0.86 3.29 -0.77 6.00 3.01 -1.26 -4.85 117.46 122.02 3k1f n PHE 1047Ca 0.00 -2.88 0.00 0.00 1.01 0.00 0.00 57.45 55.58 3k1f n PHE 1047Cb 0.00 -2.23 0.00 0.00 -0.01 0.00 0.00 39.48 37.24 3k1f n PHE 1047CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3k1f n THR 1048N 4.18 0.00 -1.98 4.37 -1.04 -1.26 -5.00 114.28 113.55 3k1f n THR 1048Ca 0.45 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.51 3k1f n THR 1048Cb 0.38 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.02 3k1f n THR 1048CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3k1f n ASP 1049N 0.00 1.41 -4.59 8.00 8.00 -1.26 -5.01 116.55 123.09 3k1f n ASP 1049Ca 0.00 -3.10 -0.42 0.00 0.71 0.00 0.00 54.79 51.98 3k1f n ASP 1049Cb 0.00 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 3k1f n ASP 1049CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3k1f s ILE 1050N -1.87 3.67 -0.17 0.53 -5.25 -1.26 -4.99 121.20 111.86 3k1f s ILE 1050Ca 0.36 0.65 -0.13 0.00 -0.99 0.00 0.00 60.65 60.54 3k1f s ILE 1050Cb 0.38 -3.98 -0.05 0.00 2.95 0.00 0.00 42.46 41.76 3k1f s ILE 1050CO -0.11 -0.68 0.25 0.42 -1.79 0.00 0.00 174.94 173.03 3k1f s THR 1051N 6.42 5.33 0.17 8.37 -4.23 -1.26 -4.95 115.64 125.49 3k1f s THR 1051Ca 0.68 0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 61.53 3k1f s THR 1051Cb -0.17 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 70.15 3k1f s THR 1051CO 0.31 0.40 1.69 0.58 -0.54 0.00 0.00 174.62 177.06 3k1f h VAL 1052N 4.69 1.24 0.00 2.29 2.07 -1.94 -0.96 116.25 123.64 3k1f h VAL 1052Ca -0.41 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 3k1f h VAL 1052Cb 1.16 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3k1f h VAL 1052CO 0.76 0.32 -0.29 -0.08 0.02 0.00 0.00 177.57 178.30 3k1f h GLU 1053N 0.83 0.00 0.48 1.57 4.22 -1.95 -1.55 114.58 118.19 3k1f h GLU 1053Ca 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.60 3k1f h GLU 1053Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3k1f h GLU 1053CO -0.00 0.29 -0.23 0.78 -2.18 0.00 0.00 179.01 177.67 3k1f h GLY 1054N 1.59 -0.67 0.11 1.92 0.00 -1.81 -2.18 103.07 102.03 3k1f h GLY 1054Ca -0.00 0.25 0.16 0.00 0.00 0.00 0.00 47.33 47.73 3k1f h GLY 1054CO 0.04 -0.24 0.39 -2.22 0.00 0.00 0.00 176.54 174.50 3k1f h ILE 1055N -0.95 0.65 -0.58 2.60 2.04 -1.11 -1.26 117.51 118.90 3k1f h ILE 1055Ca -0.07 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3k1f h ILE 1055Cb 0.59 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3k1f h ILE 1055CO 0.11 0.10 0.29 0.28 0.00 0.00 0.00 178.15 178.92 3k1f h SER 1056N 0.53 0.40 -0.21 1.72 0.02 -1.18 -1.11 113.55 113.71 3k1f h SER 1056Ca 0.47 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.40 3k1f h SER 1056Cb 0.73 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3k1f h SER 1056CO -0.41 0.26 -0.09 0.11 -1.14 0.00 0.00 176.83 175.57 3k1f h LYS 1057N 0.54 0.43 -0.71 3.45 1.57 -0.59 -2.03 116.57 119.24 3k1f h LYS 1057Ca 0.26 -0.18 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 3k1f h LYS 1057Cb 0.20 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 3k1f h LYS 1057CO -0.19 0.70 0.35 -0.07 -0.57 0.00 0.00 179.45 179.66 3k1f h LEU 1058N 0.14 0.44 -0.39 2.94 3.38 -1.24 -1.96 115.31 118.62 3k1f h LEU 1058Ca 0.05 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3k1f h LEU 1058Cb 0.57 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3k1f h LEU 1058CO 0.03 0.25 -0.05 0.25 0.09 0.00 0.00 178.44 179.01 3k1f h LEU 1059N 0.58 0.72 -1.46 1.67 5.85 -1.16 -3.12 115.31 118.39 3k1f h LEU 1059Ca 0.35 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3k1f h LEU 1059Cb 0.38 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3k1f h LEU 1059CO -0.28 0.89 0.39 -0.09 -0.34 0.00 0.00 178.44 179.01 3k1f h ARG 1060N 0.54 0.69 -0.68 1.25 9.65 -0.66 -1.92 114.38 123.24 3k1f h ARG 1060Ca 0.10 -0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.03 3k1f h ARG 1060Cb 0.55 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 3k1f h ARG 1060CO 0.03 0.46 0.45 0.93 2.80 0.00 0.00 179.97 184.64 3k1f h GLU 1061N 0.71 0.57 0.00 0.20 5.08 -1.31 -0.50 114.58 119.33 3k1f h GLU 1061Ca 0.23 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3k1f h GLU 1061Cb 0.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3k1f h GLU 1061CO -0.06 0.38 0.00 0.72 -1.00 0.00 0.00 179.01 179.05 3k1f n HIS 1062N -4.48 0.30 0.00 4.33 8.25 -0.72 -4.92 115.22 117.97 3k1f n HIS 1062Ca 0.11 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3k1f n HIS 1062Cb 0.31 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.74 3k1f n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k1f n GLY 1063N 0.27 3.14 3.73 -1.41 0.00 -0.20 -5.10 105.19 105.63 3k1f n GLY 1063Ca 0.04 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 3k1f n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k1f s TYR 1064N -0.19 2.13 0.34 1.61 1.51 -1.26 -4.94 117.35 116.55 3k1f s TYR 1064Ca 0.00 1.51 -0.26 0.00 -1.01 0.00 0.00 57.07 57.31 3k1f s TYR 1064Cb 0.00 -3.61 -0.13 0.00 -0.11 0.00 0.00 41.96 38.11 3k1f s TYR 1064CO 0.00 -2.73 0.97 0.94 -1.11 0.00 0.00 175.55 173.62 3k1f n GLN 1065N -1.99 1.29 -0.21 -0.62 -0.06 -1.26 -3.86 117.38 110.67 3k1f n GLN 1065Ca 0.15 0.46 0.02 0.00 -2.00 0.00 0.00 57.00 55.62 3k1f n GLN 1065Cb 0.49 -1.88 0.11 0.00 -4.06 0.00 0.00 30.24 24.90 3k1f n GLN 1065CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3k1f h SER 1066N 1.75 -0.32 -0.51 1.69 0.87 -1.91 -2.83 113.55 112.30 3k1f h SER 1066Ca -0.41 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3k1f h SER 1066Cb 1.34 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 3k1f h SER 1066CO 0.59 -0.14 0.00 0.54 -0.53 0.00 0.00 176.83 177.29 3k1f n ARG 1067N -5.31 3.74 0.00 2.24 5.12 -1.26 -4.47 116.66 116.72 3k1f n ARG 1067Ca 0.10 -2.48 0.00 0.00 -1.93 0.00 0.00 57.85 53.54 3k1f n ARG 1067Cb 0.37 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 3k1f n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3k1f n GLY 1068N 0.76 2.48 3.44 -0.13 0.00 -1.07 -4.97 105.19 105.70 3k1f n GLY 1068Ca 0.22 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3k1f n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k1f n PHE 1069N 0.00 -0.77 -3.77 1.61 3.01 -1.26 -3.68 117.46 112.60 3k1f n PHE 1069Ca 0.00 0.52 -0.13 0.00 1.01 0.00 0.00 57.45 58.85 3k1f n PHE 1069Cb 0.00 -1.95 -0.10 0.00 -0.01 0.00 0.00 39.48 37.42 3k1f n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3k1f s GLU 1070N -1.74 0.53 -0.49 -1.08 2.02 -0.28 -4.42 118.70 113.24 3k1f s GLU 1070Ca 0.65 0.05 -0.29 0.00 0.02 0.00 0.00 54.97 55.40 3k1f s GLU 1070Cb -0.53 0.24 0.03 0.00 0.10 0.00 0.00 34.13 33.97 3k1f s GLU 1070CO 0.57 -0.12 1.13 0.08 0.02 0.00 0.00 175.26 176.94 3k1f s VAL 1071N -0.71 4.20 0.14 2.63 1.01 -1.26 -0.72 120.40 125.69 3k1f s VAL 1071Ca -0.08 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 3k1f s VAL 1071Cb -0.04 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 3k1f s VAL 1071CO 0.02 -1.04 0.35 -0.04 0.00 0.00 0.00 175.10 174.39 3k1f s MET 1072N 4.47 3.57 -0.13 2.72 -1.94 -1.26 -3.81 119.30 122.92 3k1f s MET 1072Ca 0.47 -0.19 -0.00 0.00 -1.71 0.00 0.00 55.69 54.25 3k1f s MET 1072Cb -0.07 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 3k1f s MET 1072CO 0.31 0.48 -0.13 0.71 -0.01 0.00 0.00 175.02 176.39 3k1f s TYR 1073N -1.66 2.82 0.09 -0.03 1.51 0.12 -0.80 117.35 119.39 3k1f s TYR 1073Ca 0.40 -0.61 -0.31 0.00 -1.01 0.00 0.00 57.07 55.54 3k1f s TYR 1073Cb -0.12 -1.84 -0.10 0.00 -0.11 0.00 0.00 41.96 39.79 3k1f s TYR 1073CO 0.26 -0.19 1.85 1.21 -1.11 0.00 0.00 175.55 177.57 3k1f s ASN 1074N 0.32 6.46 0.55 2.29 3.04 -0.34 -1.55 114.94 125.70 3k1f s ASN 1074Ca -0.10 2.69 0.30 0.00 0.04 0.00 0.00 52.86 55.79 3k1f s ASN 1074Cb -0.16 -2.55 1.58 0.00 -1.54 0.00 0.00 41.25 38.58 3k1f s ASN 1074CO 0.05 -1.01 2.11 1.23 -3.04 0.00 0.00 177.10 176.45 3k1f h GLY 1075N 9.24 0.00 0.60 1.21 0.00 -1.79 0.27 103.07 112.60 3k1f h GLY 1075Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3k1f h GLY 1075CO 0.94 0.00 -0.33 0.45 0.00 0.00 0.00 176.54 177.61 3k1f h HIS 1076N 0.00 0.38 0.00 5.60 -0.00 -1.84 -3.41 115.15 115.88 3k1f h HIS 1076Ca -0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 3k1f h HIS 1076Cb 0.28 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3k1f h HIS 1076CO 0.00 0.96 0.00 0.25 -0.00 0.00 0.00 177.93 179.14 3k1f n THR 1077N -4.44 0.00 -0.90 2.45 -2.24 -1.20 -5.01 114.28 102.95 3k1f n THR 1077Ca -0.09 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3k1f n THR 1077Cb 0.52 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3k1f n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1f n GLY 1078N 0.21 0.71 3.72 3.38 0.00 0.94 -4.98 105.19 109.16 3k1f n GLY 1078Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3k1f n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k1f s LYS 1079N -0.27 4.35 0.05 1.61 2.20 -1.25 -4.57 119.74 121.86 3k1f s LYS 1079Ca 0.00 2.00 -0.33 0.00 -0.36 0.00 0.00 55.97 57.28 3k1f s LYS 1079Cb 0.00 -3.27 -0.12 0.00 -1.51 0.00 0.00 37.83 32.93 3k1f s LYS 1079CO 0.00 -0.39 1.75 1.17 -0.36 0.00 0.00 175.35 177.52 3k1f n LYS 1080N 3.92 2.29 -2.52 4.03 4.81 -1.26 -1.20 118.16 128.23 3k1f n LYS 1080Ca 0.11 0.83 -0.43 0.00 -0.87 0.00 0.00 58.31 57.95 3k1f n LYS 1080Cb 0.43 -2.66 -0.02 0.00 0.02 0.00 0.00 35.03 32.80 3k1f n LYS 1080CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3k1f s LEU 1081N 2.55 3.99 0.57 3.14 1.43 0.02 -4.88 118.68 125.50 3k1f s LEU 1081Ca 0.85 1.29 0.38 0.00 -1.03 0.00 0.00 54.13 55.62 3k1f s LEU 1081Cb -0.65 -3.54 1.31 0.00 0.03 0.00 0.00 46.19 43.35 3k1f s LEU 1081CO 0.43 -0.89 1.40 0.80 0.23 0.00 0.00 176.35 178.32 3k1f n MET 1082N 6.88 0.01 -4.23 1.70 0.00 -1.26 -4.45 117.12 115.76 3k1f n MET 1082Ca 0.13 1.03 -0.27 0.00 -0.00 0.00 0.00 57.70 58.59 3k1f n MET 1082Cb 0.46 -2.46 -0.08 0.00 0.00 0.00 0.00 33.22 31.14 3k1f n MET 1082CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k1f s ALA 1083N -4.60 3.10 -0.07 -5.12 0.00 -1.26 -5.11 121.76 108.69 3k1f s ALA 1083Ca -0.04 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 3k1f s ALA 1083Cb 0.20 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 3k1f s ALA 1083CO 0.68 0.50 0.48 -0.65 0.00 0.00 0.00 175.76 176.76 3k1f s GLN 1084N -2.82 4.25 -0.19 0.00 1.11 -1.26 -4.49 119.66 116.26 3k1f s GLN 1084Ca 0.26 0.48 -0.09 0.00 0.01 0.00 0.00 55.36 56.03 3k1f s GLN 1084Cb -0.09 -3.37 -0.05 0.00 -1.01 0.00 0.00 33.01 28.49 3k1f s GLN 1084CO 0.17 0.31 0.10 0.42 0.01 0.00 0.00 175.29 176.30 3k1f s ILE 1085N 0.11 5.15 -0.19 1.08 1.09 0.10 -4.71 121.20 123.82 3k1f s ILE 1085Ca 0.26 0.09 -0.29 0.00 -1.10 0.00 0.00 60.65 59.61 3k1f s ILE 1085Cb -0.16 -3.33 -0.03 0.00 -1.06 0.00 0.00 42.46 37.88 3k1f s ILE 1085CO 0.12 0.46 1.70 0.12 -0.10 0.00 0.00 174.94 177.24 3k1f s PHE 1086N 0.27 1.95 0.28 3.97 5.36 -1.26 -1.12 117.98 127.43 3k1f s PHE 1086Ca 0.06 0.45 0.06 0.00 -0.96 0.00 0.00 56.93 56.54 3k1f s PHE 1086Cb -0.12 -4.00 -0.06 0.00 -0.34 0.00 0.00 43.02 38.51 3k1f s PHE 1086CO -0.01 -3.28 -0.03 0.12 -1.46 0.00 0.00 175.22 170.56 3k1f s PHE 1087N 5.38 1.91 0.00 10.12 2.19 -1.24 -1.33 117.98 135.01 3k1f s PHE 1087Ca 0.75 -0.77 0.00 0.00 0.33 0.00 0.00 56.93 57.25 3k1f s PHE 1087Cb -0.27 -1.13 0.00 0.00 -1.31 0.00 0.00 43.02 40.31 3k1f s PHE 1087CO 0.31 0.20 0.00 0.41 1.83 0.00 0.00 175.22 177.97 3k1f n GLY 1088N -0.59 3.05 3.81 13.12 0.00 -1.03 -4.78 105.19 118.77 3k1f n GLY 1088Ca -0.05 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 3k1f n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1f s PRO 1089N -2.22 3.65 -0.11 1.61 0.04 -1.26 -0.90 135.00 135.80 3k1f s PRO 1089Ca 0.00 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 3k1f s PRO 1089Cb 0.00 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3k1f s PRO 1089CO 0.00 -0.54 0.32 0.99 0.04 0.00 0.00 177.00 177.81 3k1f s THR 1090N -2.36 0.01 -0.33 1.26 2.01 -0.53 -4.30 115.64 111.39 3k1f s THR 1090Ca 0.63 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 3k1f s THR 1090Cb -0.14 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.92 3k1f s THR 1090CO 0.30 -0.03 1.16 -0.47 -0.69 0.00 0.00 174.62 174.88 3k1f s TYR 1091N 0.00 2.96 0.17 4.92 5.04 -1.26 -1.04 117.35 128.14 3k1f s TYR 1091Ca -0.02 1.03 0.08 0.00 -2.44 0.00 0.00 57.07 55.73 3k1f s TYR 1091Cb -0.03 -3.85 -0.04 0.00 0.35 0.00 0.00 41.96 38.39 3k1f s TYR 1091CO 0.01 -1.13 -0.07 0.71 -1.34 0.00 0.00 175.55 173.72 3k1f s TYR 1092N 3.98 2.69 -0.03 4.97 1.51 0.08 -3.79 117.35 126.76 3k1f s TYR 1092Ca 0.49 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 56.41 3k1f s TYR 1092Cb -0.13 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3k1f s TYR 1092CO 0.20 0.51 -0.21 -0.65 -1.11 0.00 0.00 175.55 174.28 3k1f s GLN 1093N -2.81 1.93 0.19 -0.62 -0.21 -0.17 -1.19 119.66 116.77 3k1f s GLN 1093Ca 0.25 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 3k1f s GLN 1093Cb -0.09 -1.76 -0.08 0.00 1.00 0.00 0.00 33.01 32.09 3k1f s GLN 1093CO 0.16 0.39 1.04 0.50 -2.12 0.00 0.00 175.29 175.26 3k1f s ARG 1094N -0.29 4.68 0.27 2.91 6.06 -1.26 -1.47 118.95 129.85 3k1f s ARG 1094Ca 0.03 1.63 0.07 0.00 -2.50 0.00 0.00 55.73 54.95 3k1f s ARG 1094Cb -0.10 -3.29 -0.03 0.00 0.06 0.00 0.00 34.95 31.59 3k1f s ARG 1094CO 0.01 0.22 0.26 -0.51 -2.50 0.00 0.00 175.30 172.78 3k1f s LEU 1095N -0.62 3.89 0.28 -0.88 1.43 -0.51 -0.29 118.68 121.97 3k1f s LEU 1095Ca 0.46 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3k1f s LEU 1095Cb -0.28 -2.45 0.42 0.00 0.03 0.00 0.00 46.19 43.91 3k1f s LEU 1095CO 0.34 -0.13 1.92 -0.09 0.23 0.00 0.00 176.35 178.62 3k1f h ARG 1096N 1.34 1.13 -6.36 1.70 9.65 -0.71 -3.43 114.38 117.70 3k1f h ARG 1096Ca -0.48 -0.07 -0.57 0.00 -1.10 0.00 0.00 59.98 57.76 3k1f h ARG 1096Cb 1.24 -0.25 -0.06 0.00 -1.39 0.00 0.00 29.97 29.50 3k1f h ARG 1096CO 0.60 0.75 0.86 -1.01 2.80 0.00 0.00 179.97 183.96 3k1f s HIS 1097N -5.99 3.10 -0.05 2.20 3.76 -1.26 -5.04 115.29 112.01 3k1f s HIS 1097Ca -0.12 1.13 0.06 0.00 -0.15 0.00 0.00 55.06 55.98 3k1f s HIS 1097Cb 0.19 -3.79 -0.01 0.00 1.11 0.00 0.00 32.58 30.08 3k1f s HIS 1097CO 0.81 -0.83 -0.25 -1.64 -0.85 0.00 0.00 174.74 171.97 3k1f s MET 1098N 3.76 2.44 0.36 1.40 -1.94 -1.26 -2.55 119.30 121.51 3k1f s MET 1098Ca 0.46 -0.90 0.12 0.00 -1.71 0.00 0.00 55.69 53.66 3k1f s MET 1098Cb -0.11 -2.11 0.91 0.00 2.01 0.00 0.00 34.83 35.53 3k1f s MET 1098CO 0.18 0.40 1.81 -0.24 -0.01 0.00 0.00 175.02 177.16 3k1f h VAL 1099N 4.98 0.68 -0.13 -6.03 3.04 -1.95 -0.91 116.25 115.93 3k1f h VAL 1099Ca -0.34 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 3k1f h VAL 1099Cb 1.17 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 3k1f h VAL 1099CO 0.47 0.11 -0.05 0.44 -1.01 0.00 0.00 177.57 177.53 3k1f h ASP 1100N 0.59 0.17 0.35 3.17 3.32 -1.95 0.19 116.42 122.26 3k1f h ASP 1100Ca 0.54 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3k1f h ASP 1100Cb 1.07 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3k1f h ASP 1100CO -0.29 0.25 -0.55 0.47 -1.72 0.00 0.00 179.24 177.40 3k1f n ASP 1101N -4.38 0.72 -0.11 6.45 10.43 -0.38 -4.45 116.55 124.83 3k1f n ASP 1101Ca -0.01 -0.52 -0.17 0.00 2.57 0.00 0.00 54.79 56.65 3k1f n ASP 1101Cb 0.19 0.37 -0.09 0.00 1.84 0.00 0.00 41.12 43.43 3k1f n ASP 1101CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3k1f n LYS 1102N -1.32 0.52 -1.56 -1.24 4.76 -0.58 -4.99 118.16 113.75 3k1f n LYS 1102Ca 0.06 0.14 -0.61 0.00 -2.87 0.00 0.00 58.31 55.04 3k1f n LYS 1102Cb 0.34 -1.40 -0.08 0.00 -1.84 0.00 0.00 35.03 32.05 3k1f n LYS 1102CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3k1f n ILE 1103N -3.34 0.00 -3.76 -0.18 3.06 0.56 -5.00 119.36 110.71 3k1f n ILE 1103Ca -0.40 -0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 59.72 3k1f n ILE 1103Cb 0.88 -0.16 -0.14 0.00 0.54 0.00 0.00 39.64 40.76 3k1f n ILE 1103CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3k1f s HIS 1104N 0.71 -0.20 -0.02 9.51 2.46 -1.26 -5.02 115.29 121.47 3k1f s HIS 1104Ca 0.94 0.53 0.00 0.00 0.47 0.00 0.00 55.06 57.00 3k1f s HIS 1104Cb -1.30 -0.03 0.03 0.00 -0.13 0.00 0.00 32.58 31.15 3k1f s HIS 1104CO 0.62 -0.16 0.02 0.00 -2.47 0.00 0.00 174.74 172.75 3k1f s ALA 1105N 0.97 0.13 -0.02 1.58 0.00 -1.26 -5.14 121.76 118.01 3k1f s ALA 1105Ca -0.07 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 3k1f s ALA 1105Cb -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.81 3k1f s ALA 1105CO -0.05 -0.09 0.03 0.50 0.00 0.00 0.00 175.76 176.15 3k1f s ARG 1106N 0.97 0.01 -0.41 0.00 6.06 -1.26 -5.06 118.95 119.26 3k1f s ARG 1106Ca -0.08 0.20 0.04 0.00 -2.50 0.00 0.00 55.73 53.38 3k1f s ARG 1106Cb -0.12 -0.32 0.17 0.00 0.06 0.00 0.00 34.95 34.74 3k1f s ARG 1106CO -0.02 -0.19 0.34 0.00 -2.50 0.00 0.00 175.30 172.93 3k1f s ALA 1107N 1.21 1.20 0.20 6.12 0.00 -1.26 -5.00 121.76 124.23 3k1f s ALA 1107Ca -0.07 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 49.58 3k1f s ALA 1107Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.36 3k1f s ALA 1107CO -0.03 -2.00 0.00 -2.13 0.00 0.00 0.00 175.76 171.61 3k1f n ARG 1108N 2.99 -3.20 0.00 0.00 0.00 -1.26 -5.13 116.66 110.06 3k1f n ARG 1108Ca 0.27 2.35 0.00 0.00 -0.00 0.00 0.00 57.85 60.48 3k1f n ARG 1108Cb 0.47 -2.52 0.00 0.00 0.00 0.00 0.00 32.46 30.42 3k1f n ARG 1108CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k1f n GLY 1109N 0.40 1.48 3.71 5.14 0.00 -1.26 -5.14 105.19 109.51 3k1f n GLY 1109Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3k1f n GLY 1109CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1f s PRO 1110N 4.70 4.23 0.00 1.61 0.04 -1.26 -4.97 135.00 139.35 3k1f s PRO 1110Ca 0.00 2.28 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 3k1f s PRO 1110Cb 0.00 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 3k1f s PRO 1110CO 0.00 -0.61 0.18 -1.64 0.04 0.00 0.00 177.00 174.97 3k1f s MET 1111N 1.61 3.40 0.71 4.56 -1.94 -1.26 -1.42 119.30 124.95 3k1f s MET 1111Ca 0.70 -0.36 -0.16 0.00 -1.71 0.00 0.00 55.69 54.15 3k1f s MET 1111Cb -0.41 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.37 3k1f s MET 1111CO 0.31 0.66 0.98 1.04 -0.01 0.00 0.00 175.02 178.00 3k1f n GLN 1112N 0.84 0.56 -0.14 2.03 1.13 0.14 -4.75 117.38 117.20 3k1f n GLN 1112Ca -0.10 0.25 -0.07 0.00 -1.94 0.00 0.00 57.00 55.14 3k1f n GLN 1112Cb 0.52 -2.23 -0.05 0.00 0.11 0.00 0.00 30.24 28.59 3k1f n GLN 1112CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3k1f h VAL 1113N -0.16 0.00 0.00 5.09 -1.51 -1.99 -3.09 116.25 114.60 3k1f h VAL 1113Ca -0.48 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 64.79 3k1f h VAL 1113Cb 1.34 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 3k1f h VAL 1113CO 0.47 0.00 -1.76 -0.11 -1.23 0.00 0.00 177.57 174.95 3k1f n LEU 1114N -4.17 1.02 0.27 4.19 0.00 -1.26 -4.64 117.00 112.41 3k1f n LEU 1114Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 56.01 56.12 3k1f n LEU 1114Cb 0.17 0.01 0.74 0.00 0.00 0.00 0.00 43.42 44.33 3k1f n LEU 1114CO -0.03 0.43 0.98 0.74 0.00 0.00 0.00 177.39 179.50 3k1f h THR 1115N 0.00 0.42 -1.10 1.96 2.02 -1.97 -3.47 112.91 110.78 3k1f h THR 1115Ca -0.30 -0.56 -0.25 0.00 0.77 0.00 0.00 66.41 66.08 3k1f h THR 1115Cb 1.60 1.39 -0.10 0.00 -1.74 0.00 0.00 68.15 69.31 3k1f h THR 1115CO -0.01 0.10 -0.22 0.54 0.37 0.00 0.00 175.52 176.30 3k1f n ARG 1116N -3.46 -1.43 -4.14 6.66 1.74 -1.17 -4.38 116.66 110.48 3k1f n ARG 1116Ca -0.01 0.77 -0.32 0.00 -0.77 0.00 0.00 57.85 57.51 3k1f n ARG 1116Cb 0.26 -4.97 -0.07 0.00 -1.02 0.00 0.00 32.46 26.65 3k1f n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k1f s GLN 1117N -2.92 2.93 0.40 5.56 -0.21 -1.26 -4.73 119.66 119.43 3k1f s GLN 1117Ca 0.00 -0.58 -0.22 0.00 0.02 0.00 0.00 55.36 54.59 3k1f s GLN 1117Cb 0.00 -2.77 -0.15 0.00 1.00 0.00 0.00 33.01 31.09 3k1f s GLN 1117CO 0.00 0.62 0.14 -2.30 -2.12 0.00 0.00 175.29 171.63 3k1f n PRO 1118N 1.06 0.04 -0.91 2.91 -0.02 -1.26 -0.69 135.00 136.14 3k1f n PRO 1118Ca -0.12 0.02 -0.28 0.00 -2.02 0.00 0.00 63.50 61.09 3k1f n PRO 1118Cb 0.52 -1.04 0.22 0.00 -0.02 0.00 0.00 33.50 33.18 3k1f n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k1f s VAL 1119N -1.64 1.96 -0.03 -1.45 -7.23 -0.51 -4.50 120.40 107.02 3k1f s VAL 1119Ca 0.60 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.75 3k1f s VAL 1119Cb -0.64 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 3k1f s VAL 1119CO 0.62 0.00 0.11 -0.70 -0.31 0.00 0.00 175.10 174.83 3k1f s GLU 1120N -4.80 3.22 0.00 4.82 2.12 -1.26 -1.58 118.70 121.22 3k1f s GLU 1120Ca 0.67 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.61 3k1f s GLU 1120Cb -0.21 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3k1f s GLU 1120CO 0.60 0.68 0.00 0.41 -0.54 0.00 0.00 175.26 176.41 3k1f n GLY 1121N 1.27 -0.59 0.33 -1.50 0.00 -1.26 -4.51 105.19 98.93 3k1f n GLY 1121Ca -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 3k1f n GLY 1121CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k1f h ARG 1122N 0.00 1.02 -0.02 1.61 2.43 -1.90 0.22 114.38 117.75 3k1f h ARG 1122Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3k1f h ARG 1122Cb 0.00 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3k1f h ARG 1122CO 0.00 0.84 -0.06 0.66 -1.51 0.00 0.00 179.97 179.90 3k1f h SER 1123N 1.00 -0.19 0.00 -3.80 4.64 -1.94 -2.51 113.55 110.75 3k1f h SER 1123Ca 0.23 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3k1f h SER 1123Cb 0.21 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3k1f h SER 1123CO -0.02 -0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.43 3k1f n ARG 1124N -2.92 0.90 -3.12 4.77 1.74 -1.24 -4.84 116.66 111.95 3k1f n ARG 1124Ca -0.01 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 3k1f n ARG 1124Cb 0.04 -1.25 0.04 0.00 -1.02 0.00 0.00 32.46 30.28 3k1f n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3k1f n ASP 1125N -0.20 -6.17 -4.82 0.55 2.03 -0.95 -4.88 116.55 102.13 3k1f n ASP 1125Ca 0.00 -0.33 -0.31 0.00 0.52 0.00 0.00 54.79 54.67 3k1f n ASP 1125Cb 0.12 -4.96 0.06 0.00 -0.72 0.00 0.00 41.12 35.62 3k1f n ASP 1125CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3k1f s GLY 1126N -2.80 1.65 0.00 0.27 0.00 0.78 -4.60 107.32 102.63 3k1f s GLY 1126Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.06 3k1f s GLY 1126CO 0.43 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.48 3k1f n GLY 1127N -2.06 -1.72 3.35 0.20 0.00 -0.61 -4.61 105.19 99.74 3k1f n GLY 1127Ca 0.07 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 3k1f n GLY 1127CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 1128N 0.00 2.21 -0.16 0.99 1.43 -1.26 -4.51 118.68 117.39 3k1f s LEU 1128Ca 0.00 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 3k1f s LEU 1128Cb 0.00 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3k1f s LEU 1128CO 0.00 0.31 1.27 -0.60 0.23 0.00 0.00 176.35 177.56 3k1f s ARG 1129N -0.77 4.24 -0.90 1.70 3.52 -1.26 -4.93 118.95 120.54 3k1f s ARG 1129Ca 0.11 1.67 -0.12 0.00 -0.13 0.00 0.00 55.73 57.26 3k1f s ARG 1129Cb -0.10 -3.76 0.23 0.00 -1.56 0.00 0.00 34.95 29.76 3k1f s ARG 1129CO 0.00 -0.70 0.85 0.12 -0.81 0.00 0.00 175.30 174.77 3k1f s PHE 1130N 3.45 3.90 1.16 5.12 5.36 -1.26 -5.03 117.98 130.67 3k1f s PHE 1130Ca 0.55 -2.21 -0.19 0.00 -0.96 0.00 0.00 56.93 54.12 3k1f s PHE 1130Cb -0.22 -3.81 0.28 0.00 -0.34 0.00 0.00 43.02 38.93 3k1f s PHE 1130CO 0.15 -0.97 1.21 0.20 -1.46 0.00 0.00 175.22 174.35 3k1f s GLY 1131N 1.87 1.68 0.33 13.12 0.00 -1.26 -4.81 107.32 118.25 3k1f s GLY 1131Ca 0.21 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.77 3k1f s GLY 1131CO -0.09 -0.28 1.93 -2.09 0.00 0.00 0.00 173.10 172.57 3k1f h GLU 1132N -2.39 0.88 -0.15 2.90 4.81 -1.99 -1.33 114.58 117.32 3k1f h GLU 1132Ca -0.43 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.80 3k1f h GLU 1132Cb 1.25 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 3k1f h GLU 1132CO 0.29 0.58 -0.20 0.52 -0.73 0.00 0.00 179.01 179.47 3k1f h MET 1133N 0.91 -0.23 -0.86 1.92 2.86 -1.99 0.06 114.93 117.59 3k1f h MET 1133Ca 0.36 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.00 3k1f h MET 1133Cb 0.25 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3k1f h MET 1133CO -0.13 -0.16 0.47 0.93 1.06 0.00 0.00 176.91 179.08 3k1f h GLU 1134N -0.24 1.20 0.14 1.72 3.07 -1.73 -1.75 114.58 117.00 3k1f h GLU 1134Ca 0.11 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3k1f h GLU 1134Cb 0.40 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 3k1f h GLU 1134CO -0.29 0.88 -0.27 -0.09 -1.40 0.00 0.00 179.01 177.84 3k1f h ARG 1135N 1.20 -0.47 -0.31 2.33 2.43 -0.46 -1.79 114.38 117.30 3k1f h ARG 1135Ca 0.30 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.57 3k1f h ARG 1135Cb 0.03 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 3k1f h ARG 1135CO -0.05 -0.32 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.23 3k1f h ASP 1136N -0.49 -1.38 -0.64 -3.80 3.32 -0.51 -1.79 116.42 111.12 3k1f h ASP 1136Ca 0.02 0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.35 3k1f h ASP 1136Cb 0.51 0.59 -0.06 0.00 0.22 0.00 0.00 39.33 40.58 3k1f h ASP 1136CO -0.14 -0.39 0.30 0.00 -1.72 0.00 0.00 179.24 177.30 3k1f h MET 1138N 0.54 0.91 -0.06 0.00 2.86 -0.69 -0.44 114.93 118.05 3k1f h MET 1138Ca 0.31 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3k1f h MET 1138Cb 0.30 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3k1f h MET 1138CO -0.25 0.87 0.01 0.82 1.06 0.00 0.00 176.91 179.43 3k1f h ILE 1139N 0.85 1.22 -0.76 -1.22 2.04 -0.93 -0.84 117.51 117.86 3k1f h ILE 1139Ca 0.17 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.47 3k1f h ILE 1139Cb 0.44 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 3k1f h ILE 1139CO 0.02 0.18 0.39 0.00 0.00 0.00 0.00 178.15 178.73 3k1f h ALA 1140N 0.76 1.07 -0.64 1.87 0.00 -0.96 -1.49 119.26 119.87 3k1f h ALA 1140Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3k1f h ALA 1140Cb 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3k1f h ALA 1140CO 0.00 -0.04 0.27 0.45 0.00 0.00 0.00 179.25 179.94 3k1f h HIS 1141N 0.63 0.96 0.00 0.00 3.86 -0.99 -3.48 115.15 116.13 3k1f h HIS 1141Ca 0.38 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3k1f h HIS 1141Cb 0.43 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3k1f h HIS 1141CO -0.10 0.74 0.00 0.41 0.86 0.00 0.00 177.93 179.84 3k1f n GLY 1142N -0.87 0.96 2.85 2.45 0.00 -0.39 -5.03 105.19 105.16 3k1f n GLY 1142Ca 0.04 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3k1f n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1f n ALA 1143N -1.57 5.49 -0.23 4.61 0.00 -0.80 -4.82 120.51 123.19 3k1f n ALA 1143Ca 0.00 -4.41 0.03 0.00 0.00 0.00 0.00 53.44 49.05 3k1f n ALA 1143Cb 0.00 -2.80 0.15 0.00 0.00 0.00 0.00 19.45 16.80 3k1f n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1f h ALA 1144N 5.52 0.94 -0.45 0.00 0.00 -1.94 -2.42 119.26 120.91 3k1f h ALA 1144Ca 0.38 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 3k1f h ALA 1144Cb 0.59 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3k1f h ALA 1144CO 1.54 -0.18 -0.08 0.77 0.00 0.00 0.00 179.25 181.30 3k1f h SER 1145N 0.44 0.79 0.01 0.00 0.02 -1.99 -1.61 113.55 111.20 3k1f h SER 1145Ca 0.36 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3k1f h SER 1145Cb 0.50 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3k1f h SER 1145CO -0.35 0.90 -0.00 0.15 -1.14 0.00 0.00 176.83 176.39 3k1f h PHE 1146N 0.73 -0.01 -0.94 3.45 3.57 -1.88 -1.72 116.94 120.15 3k1f h PHE 1146Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3k1f h PHE 1146Cb 0.56 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 3k1f h PHE 1146CO 0.03 0.23 0.62 1.25 -2.23 0.00 0.00 178.31 178.21 3k1f h LEU 1147N -0.25 1.07 -0.31 0.59 5.85 -1.40 0.20 115.31 121.06 3k1f h LEU 1147Ca -0.00 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3k1f h LEU 1147Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3k1f h LEU 1147CO 0.00 0.77 0.19 0.50 -0.34 0.00 0.00 178.44 179.57 3k1f h LYS 1148N 1.26 0.41 0.19 1.25 3.64 -1.19 -0.29 116.57 121.84 3k1f h LYS 1148Ca 0.35 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3k1f h LYS 1148Cb -0.13 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3k1f h LYS 1148CO -0.08 0.31 -0.09 1.49 -2.27 0.00 0.00 179.45 178.81 3k1f h GLU 1149N 0.40 -0.24 -0.32 1.90 4.81 -0.67 0.54 114.58 121.00 3k1f h GLU 1149Ca 0.11 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3k1f h GLU 1149Cb -0.01 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3k1f h GLU 1149CO -0.02 -0.12 0.01 -0.09 -0.73 0.00 0.00 179.01 178.07 3k1f h ARG 1150N -0.31 0.48 0.01 1.92 9.65 -0.56 -0.01 114.38 125.56 3k1f h ARG 1150Ca -0.03 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 3k1f h ARG 1150Cb 0.24 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3k1f h ARG 1150CO 0.04 0.49 -0.00 -0.07 2.80 0.00 0.00 179.97 183.23 3k1f h LEU 1151N 0.46 -0.01 0.00 3.80 3.38 -0.95 -3.26 115.31 118.73 3k1f h LEU 1151Ca 0.10 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.27 3k1f h LEU 1151Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k1f h LEU 1151CO 0.01 0.82 0.00 0.23 0.09 0.00 0.00 178.44 179.59 3k1f n MET 1152N -4.69 0.00 0.00 1.13 2.81 0.17 -3.39 117.12 113.15 3k1f n MET 1152Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3k1f n MET 1152Cb 0.39 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.90 3k1f n MET 1152CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3k1f n GLU 1153N 0.00 0.00 0.18 0.03 4.71 -0.90 -1.69 120.64 122.96 3k1f n GLU 1153Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 3k1f n GLU 1153Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 3k1f n GLU 1153CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k1f h ALA 1154N 0.00 -0.67 -3.00 0.62 0.00 -1.27 -3.44 119.26 111.50 3k1f h ALA 1154Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k1f h ALA 1154Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k1f h ALA 1154CO 0.00 -0.63 0.00 0.45 0.00 0.00 0.00 179.25 179.07 3k1f n SER 1155N -4.14 0.00 0.00 0.00 2.88 -0.68 -4.92 113.62 106.76 3k1f n SER 1155Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3k1f n SER 1155Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 3k1f n SER 1155CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3k1f n ASP 1156N 0.00 0.00 -1.87 -3.46 -0.08 -1.09 -4.62 116.55 105.42 3k1f n ASP 1156Ca 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 3k1f n ASP 1156Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3k1f n ASP 1156CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k1f n ALA 1157N -1.07 -2.11 -3.55 -1.67 0.00 -1.20 -4.83 120.51 106.08 3k1f n ALA 1157Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 3k1f n ALA 1157Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 3k1f n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k1f s PHE 1158N -1.03 -0.59 -0.13 0.00 5.36 -1.14 -4.60 117.98 115.86 3k1f s PHE 1158Ca 0.00 1.07 0.01 0.00 -0.96 0.00 0.00 56.93 57.05 3k1f s PHE 1158Cb 0.00 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 43.11 3k1f s PHE 1158CO 0.00 -0.52 -0.15 0.50 -1.46 0.00 0.00 175.22 173.59 3k1f s ARG 1159N -1.02 2.27 0.31 10.12 3.00 -1.26 -0.99 118.95 131.38 3k1f s ARG 1159Ca -0.08 -0.57 0.10 0.00 -1.00 0.00 0.00 55.73 54.19 3k1f s ARG 1159Cb -0.01 -1.99 -0.05 0.00 0.00 0.00 0.00 34.95 32.90 3k1f s ARG 1159CO 0.07 -0.13 -0.11 0.14 0.00 0.00 0.00 175.30 175.27 3k1f s VAL 1160N 1.19 2.55 -0.57 7.11 -7.23 -0.47 -4.94 120.40 118.04 3k1f s VAL 1160Ca -0.02 -2.21 -0.03 0.00 -1.81 0.00 0.00 61.98 57.91 3k1f s VAL 1160Cb -0.14 -2.56 0.15 0.00 0.56 0.00 0.00 36.38 34.39 3k1f s VAL 1160CO -0.05 -0.30 0.38 -1.00 -0.31 0.00 0.00 175.10 173.82 3k1f s HIS 1161N -2.52 3.44 0.20 2.82 3.76 -1.26 -1.07 115.29 120.66 3k1f s HIS 1161Ca 0.32 -2.67 -0.10 0.00 -0.15 0.00 0.00 55.06 52.46 3k1f s HIS 1161Cb -0.02 -3.19 -0.07 0.00 1.11 0.00 0.00 32.58 30.41 3k1f s HIS 1161CO 0.17 -0.87 0.52 0.96 -0.85 0.00 0.00 174.74 174.68 3k1f s ILE 1162N 0.19 4.95 0.47 0.60 -5.25 -0.94 -3.63 121.20 117.59 3k1f s ILE 1162Ca 0.15 0.50 -0.21 0.00 -0.99 0.00 0.00 60.65 60.10 3k1f s ILE 1162Cb -0.21 -3.64 -0.09 0.00 2.95 0.00 0.00 42.46 41.47 3k1f s ILE 1162CO -0.03 0.02 1.04 0.00 -1.79 0.00 0.00 174.94 174.18 3k1f h GLY 1164N 1.76 0.00 0.00 0.00 0.00 -1.50 -3.38 103.07 99.94 3k1f h GLY 1164Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3k1f h GLY 1164CO 0.60 0.00 -0.21 1.39 0.00 0.00 0.00 176.54 178.31 3k1f n ILE 1165N -2.40 0.60 -4.20 2.60 -0.00 -1.26 -4.90 119.36 109.80 3k1f n ILE 1165Ca 0.05 0.38 -0.34 0.00 -0.00 0.00 0.00 62.75 62.84 3k1f n ILE 1165Cb 0.43 -1.88 -0.13 0.00 -0.00 0.00 0.00 39.64 38.06 3k1f n ILE 1165CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3k1f n GLY 1167N 4.10 2.32 3.27 0.00 0.00 -1.26 -3.85 105.19 109.76 3k1f n GLY 1167Ca -0.18 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 3k1f n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 1168N 0.03 2.23 -1.17 0.99 1.43 -1.26 -1.69 118.68 119.24 3k1f s LEU 1168Ca 0.34 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 3k1f s LEU 1168Cb 0.14 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 3k1f s LEU 1168CO -0.01 0.11 1.92 0.23 0.23 0.00 0.00 176.35 178.84 3k1f n MET 1169N 1.50 2.20 -0.07 1.70 2.81 -1.26 -3.16 117.12 120.84 3k1f n MET 1169Ca -0.18 -2.58 -0.10 0.00 -1.81 0.00 0.00 57.70 53.03 3k1f n MET 1169Cb 0.53 -3.43 -0.06 0.00 -0.71 0.00 0.00 33.22 29.56 3k1f n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3k1f n THR 1170N 6.64 0.77 -1.57 2.03 -1.04 -1.26 -5.03 114.28 114.81 3k1f n THR 1170Ca 0.48 -0.28 -0.60 0.00 -2.04 0.00 0.00 64.05 61.61 3k1f n THR 1170Cb 0.44 -1.10 -0.09 0.00 -1.82 0.00 0.00 70.33 67.75 3k1f n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3k1f n VAL 1171N -3.03 0.12 -2.53 12.58 0.31 -1.24 -4.80 118.33 119.75 3k1f n VAL 1171Ca -0.24 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 3k1f n VAL 1171Cb 0.74 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 3k1f n VAL 1171CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3k1f n ILE 1172N 5.25 4.04 -1.88 2.52 -5.35 -0.71 -4.82 119.36 118.41 3k1f n ILE 1172Ca 0.37 -4.20 -0.40 0.00 -0.27 0.00 0.00 62.75 58.25 3k1f n ILE 1172Cb 0.04 -2.43 -0.03 0.00 -1.74 0.00 0.00 39.64 35.48 3k1f n ILE 1172CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k1f s ALA 1173N 2.49 2.44 -0.82 -1.28 0.00 -1.26 -4.34 121.76 118.99 3k1f s ALA 1173Ca 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 3k1f s ALA 1173Cb 0.04 -4.16 0.35 0.00 0.00 0.00 0.00 23.12 19.36 3k1f s ALA 1173CO 0.01 -3.33 1.87 1.63 0.00 0.00 0.00 175.76 175.94 3k1f n LYS 1174N 8.78 3.23 0.00 0.00 5.02 -0.01 -4.90 118.16 130.28 3k1f n LYS 1174Ca 0.25 -3.83 0.00 0.00 -2.02 0.00 0.00 58.31 52.71 3k1f n LYS 1174Cb 0.49 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 3k1f n LYS 1174CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3k1f n LEU 1175N -0.46 0.00 0.09 -0.35 -0.00 -1.26 -1.37 117.00 113.65 3k1f n LEU 1175Ca 0.51 0.03 -0.13 0.00 -0.00 0.00 0.00 56.01 56.42 3k1f n LEU 1175Cb 0.29 -0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 3k1f n LEU 1175CO 0.49 -0.03 0.09 0.78 -0.00 0.00 0.00 177.39 178.71 3k1f h ASN 1176N 0.00 0.37 0.00 1.45 2.35 -1.93 -3.34 115.58 114.48 3k1f h ASN 1176Ca 0.00 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 3k1f h ASN 1176Cb 0.35 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 38.51 3k1f h ASN 1176CO 0.00 1.22 -0.52 0.00 -1.65 0.00 0.00 177.43 176.48 3k1f n HIS 1177N -3.59 0.00 -3.18 1.19 1.44 -0.47 -5.02 115.22 105.58 3k1f n HIS 1177Ca -0.06 -0.87 -0.15 0.00 -2.01 0.00 0.00 57.72 54.63 3k1f n HIS 1177Cb 0.93 -0.17 -0.03 0.00 0.12 0.00 0.00 29.99 30.84 3k1f n HIS 1177CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3k1f n ASN 1178N -0.59 -1.41 -4.78 4.39 3.02 -1.15 -4.96 115.26 109.78 3k1f n ASN 1178Ca 0.12 -0.09 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 3k1f n ASN 1178Cb 0.80 -1.30 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 3k1f n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k1f s GLN 1179N -5.75 4.45 0.00 3.52 -0.21 -1.24 -4.95 119.66 115.47 3k1f s GLN 1179Ca 0.28 1.01 0.00 0.00 0.02 0.00 0.00 55.36 56.67 3k1f s GLN 1179Cb -0.16 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.58 3k1f s GLN 1179CO 0.35 0.56 0.00 1.19 -2.12 0.00 0.00 175.29 175.26 3k1f n PHE 1180N 1.78 0.00 -0.45 0.91 3.01 -1.26 -0.83 117.46 120.62 3k1f n PHE 1180Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3k1f n PHE 1180Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3k1f n PHE 1180CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3k1f n GLU 1181N 0.00 -1.18 -3.83 -1.08 2.13 -1.24 -3.93 120.64 111.50 3k1f n GLU 1181Ca 0.00 0.88 -0.35 0.00 0.66 0.00 0.00 57.16 58.35 3k1f n GLU 1181Cb 0.00 -0.94 -0.12 0.00 0.27 0.00 0.00 31.44 30.65 3k1f n GLU 1181CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3k1f s LYS 1183N 1.10 4.16 0.00 0.00 3.01 -1.26 -1.47 119.74 125.27 3k1f s LYS 1183Ca 0.08 2.51 0.00 0.00 -1.01 0.00 0.00 55.97 57.56 3k1f s LYS 1183Cb -0.22 -3.07 0.00 0.00 -1.01 0.00 0.00 37.83 33.53 3k1f s LYS 1183CO -0.05 -0.63 0.00 0.41 0.51 0.00 0.00 175.35 175.59 3k1f n GLY 1184N 2.84 0.80 0.00 -3.33 0.00 -1.26 -4.83 105.19 99.41 3k1f n GLY 1184Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3k1f n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1f n ASP 1186N -0.21 -5.82 -4.23 0.00 2.03 -0.90 -4.96 116.55 102.46 3k1f n ASP 1186Ca 0.00 0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 3k1f n ASP 1186Cb 0.00 -4.87 -0.07 0.00 -0.72 0.00 0.00 41.12 35.46 3k1f n ASP 1186CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3k1f s ASN 1187N -2.16 5.83 -0.02 1.67 2.47 -1.24 -4.82 114.94 116.68 3k1f s ASN 1187Ca 0.00 -2.03 0.10 0.00 0.42 0.00 0.00 52.86 51.36 3k1f s ASN 1187Cb 0.00 -2.05 0.29 0.00 -1.45 0.00 0.00 41.25 38.05 3k1f s ASN 1187CO 0.00 -0.69 1.24 1.17 -3.72 0.00 0.00 177.10 175.10 3k1f n LYS 1188N 4.78 2.88 0.00 0.43 4.81 -1.26 -1.37 118.16 128.43 3k1f n LYS 1188Ca -0.06 -2.08 0.00 0.00 -0.87 0.00 0.00 58.31 55.30 3k1f n LYS 1188Cb 0.41 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.16 3k1f n LYS 1188CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3k1f n ILE 1189N 0.26 0.00 -2.77 3.15 -0.00 -1.26 -4.66 119.36 114.08 3k1f n ILE 1189Ca 0.11 0.23 -0.43 0.00 -0.00 0.00 0.00 62.75 62.66 3k1f n ILE 1189Cb 0.46 -1.17 -0.02 0.00 -0.00 0.00 0.00 39.64 38.91 3k1f n ILE 1189CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3k1f s ASP 1190N -2.87 6.69 0.03 4.38 2.15 -1.26 -4.98 116.67 120.81 3k1f s ASP 1190Ca 0.00 -2.07 0.05 0.00 0.43 0.00 0.00 52.55 50.96 3k1f s ASP 1190Cb 0.00 -2.48 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 3k1f s ASP 1190CO 0.00 -1.17 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.04 3k1f s ILE 1191N 3.44 1.28 -0.02 4.11 1.09 -1.26 -1.14 121.20 128.70 3k1f s ILE 1191Ca 0.42 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 59.05 3k1f s ILE 1191Cb -0.02 -1.12 -0.01 0.00 -1.06 0.00 0.00 42.46 40.26 3k1f s ILE 1191CO -0.06 0.15 -0.12 -0.31 -0.10 0.00 0.00 174.94 174.50 3k1f s TYR 1192N -0.69 1.17 -0.16 3.97 1.51 -0.80 -4.96 117.35 117.39 3k1f s TYR 1192Ca 0.04 -0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 55.69 3k1f s TYR 1192Cb -0.07 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3k1f s TYR 1192CO 0.01 -0.06 0.37 1.14 -1.11 0.00 0.00 175.55 175.91 3k1f s GLN 1193N -0.14 4.26 0.00 -0.62 -2.07 -1.26 -2.21 119.66 117.62 3k1f s GLN 1193Ca 0.02 0.22 0.07 0.00 -1.82 0.00 0.00 55.36 53.85 3k1f s GLN 1193Cb -0.07 -3.46 -0.02 0.00 -1.09 0.00 0.00 33.01 28.37 3k1f s GLN 1193CO 0.00 0.13 -0.22 0.96 -1.32 0.00 0.00 175.29 174.84 3k1f s ILE 1194N 0.76 1.78 -0.50 3.63 -4.36 -0.23 -4.95 121.20 117.33 3k1f s ILE 1194Ca 0.20 -1.06 -0.18 0.00 -0.26 0.00 0.00 60.65 59.35 3k1f s ILE 1194Cb -0.14 -1.50 0.07 0.00 1.25 0.00 0.00 42.46 42.14 3k1f s ILE 1194CO 0.07 0.41 0.53 -1.00 0.24 0.00 0.00 174.94 175.19 3k1f s HIS 1195N -0.62 3.13 0.03 1.37 3.76 -1.26 -1.37 115.29 120.34 3k1f s HIS 1195Ca 0.09 -0.74 0.02 0.00 -0.15 0.00 0.00 55.06 54.27 3k1f s HIS 1195Cb -0.09 -3.42 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 3k1f s HIS 1195CO 0.00 -0.95 -0.07 0.96 -0.85 0.00 0.00 174.74 173.84 3k1f s ILE 1196N 2.20 0.44 0.57 0.60 -5.25 -0.16 -4.98 121.20 114.61 3k1f s ILE 1196Ca 0.10 -0.99 -0.21 0.00 -0.99 0.00 0.00 60.65 58.57 3k1f s ILE 1196Cb -0.22 -0.51 -0.04 0.00 2.95 0.00 0.00 42.46 44.64 3k1f s ILE 1196CO 0.09 -0.37 1.30 -2.84 -1.79 0.00 0.00 174.94 171.32 3k1f s PRO 1197N -1.46 3.06 0.54 0.37 0.02 -1.26 -2.87 135.00 133.39 3k1f s PRO 1197Ca -0.10 2.08 0.20 0.00 0.02 0.00 0.00 61.00 63.19 3k1f s PRO 1197Cb -0.09 -2.13 1.39 0.00 0.02 0.00 0.00 34.50 33.68 3k1f s PRO 1197CO 0.00 -1.21 2.15 -0.92 -0.33 0.00 0.00 177.00 176.69 3k1f h TYR 1198N 1.24 0.00 0.00 6.54 3.20 -1.87 -0.17 116.97 125.91 3k1f h TYR 1198Ca -0.51 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.33 3k1f h TYR 1198Cb 1.30 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 3k1f h TYR 1198CO 0.46 0.00 -0.18 0.00 -1.64 0.00 0.00 178.16 176.80 3k1f h ALA 1199N 1.96 1.11 0.00 1.82 0.00 -1.91 0.04 119.26 122.29 3k1f h ALA 1199Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k1f h ALA 1199Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k1f h ALA 1199CO -0.00 0.23 -0.00 0.00 0.00 0.00 0.00 179.25 179.47 3k1f h ALA 1200N 1.82 -0.00 -0.98 0.00 0.00 -1.40 0.19 119.26 118.89 3k1f h ALA 1200Ca -0.00 -0.40 0.22 0.00 0.00 0.00 0.00 54.91 54.73 3k1f h ALA 1200Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 3k1f h ALA 1200CO 0.02 -0.01 0.56 -0.22 0.00 0.00 0.00 179.25 179.61 3k1f h LYS 1201N -0.99 0.58 0.56 0.00 3.64 -1.17 0.53 116.57 119.72 3k1f h LYS 1201Ca -0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3k1f h LYS 1201Cb 0.80 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3k1f h LYS 1201CO 0.00 0.38 -0.27 1.25 -2.27 0.00 0.00 179.45 178.55 3k1f h LEU 1202N 0.60 -0.63 -0.50 5.20 5.85 -1.04 -0.68 115.31 124.12 3k1f h LEU 1202Ca 0.61 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.38 3k1f h LEU 1202Cb 1.10 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.19 3k1f h LEU 1202CO -0.46 -0.29 -0.22 0.25 -0.34 0.00 0.00 178.44 177.38 3k1f h LEU 1203N -1.00 -0.76 -0.50 2.25 5.85 0.39 0.52 115.31 122.06 3k1f h LEU 1203Ca -0.08 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3k1f h LEU 1203Cb 0.64 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3k1f h LEU 1203CO 0.13 -0.24 0.31 -0.26 -0.34 0.00 0.00 178.44 178.04 3k1f h PHE 1204N -0.11 0.59 0.00 1.25 0.05 -0.94 -0.68 116.94 117.10 3k1f h PHE 1204Ca 0.23 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.98 3k1f h PHE 1204Cb 0.47 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 3k1f h PHE 1204CO -0.50 0.35 -0.27 1.96 -0.18 0.00 0.00 178.31 179.67 3k1f h GLN 1205N 0.63 0.00 0.00 1.51 4.20 -0.27 0.42 115.11 121.60 3k1f h GLN 1205Ca 0.19 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.74 3k1f h GLN 1205Cb -0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3k1f h GLN 1205CO -0.07 0.27 -0.80 0.93 -0.67 0.00 0.00 178.83 178.49 3k1f h GLU 1206N 0.00 0.00 0.03 1.46 5.08 -0.24 -0.92 114.58 119.99 3k1f h GLU 1206Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3k1f h GLU 1206Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3k1f h GLU 1206CO 0.04 0.80 -1.01 -0.07 -1.00 0.00 0.00 179.01 177.77 3k1f h LEU 1207N 0.00 0.54 -0.44 1.33 3.38 -0.67 -3.11 115.31 116.34 3k1f h LEU 1207Ca -0.01 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3k1f h LEU 1207Cb 1.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3k1f h LEU 1207CO 0.10 1.27 0.18 0.24 0.09 0.00 0.00 178.44 180.33 3k1f h MET 1208N 0.21 0.66 -0.01 1.13 2.86 -0.82 -0.87 114.93 118.09 3k1f h MET 1208Ca -0.10 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3k1f h MET 1208Cb 1.66 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.21 3k1f h MET 1208CO 0.17 0.60 0.09 0.00 1.06 0.00 0.00 176.91 178.83 3k1f h ALA 1209N 1.03 1.15 -0.52 6.32 0.00 -1.10 -0.52 119.26 125.61 3k1f h ALA 1209Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k1f h ALA 1209Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k1f h ALA 1209CO -0.01 -0.09 0.00 -1.33 0.00 0.00 0.00 179.25 177.81 3k1f n MET 1210N -3.12 3.21 -1.28 0.00 2.81 -1.08 -4.96 117.12 112.70 3k1f n MET 1210Ca -0.03 -2.61 -0.04 0.00 -1.81 0.00 0.00 57.70 53.22 3k1f n MET 1210Cb 0.16 -1.65 -0.01 0.00 -0.71 0.00 0.00 33.22 31.00 3k1f n MET 1210CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3k1f n ASN 1211N 0.81 -3.14 -4.58 7.83 2.85 -0.20 -5.06 115.26 113.76 3k1f n ASN 1211Ca 0.21 0.07 -0.34 0.00 -0.11 0.00 0.00 54.58 54.41 3k1f n ASN 1211Cb 0.71 -1.25 -0.11 0.00 1.24 0.00 0.00 39.78 40.38 3k1f n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3k1f s ILE 1212N -2.14 4.22 -0.56 -1.44 1.09 -0.35 -5.01 121.20 117.02 3k1f s ILE 1212Ca 0.00 -0.25 -0.20 0.00 -1.10 0.00 0.00 60.65 59.10 3k1f s ILE 1212Cb 0.00 -2.84 0.07 0.00 -1.06 0.00 0.00 42.46 38.63 3k1f s ILE 1212CO 0.00 0.52 0.73 0.42 -0.10 0.00 0.00 174.94 176.51 3k1f s THR 1213N 0.00 4.72 -1.18 2.92 -4.23 -1.26 -2.99 115.64 113.62 3k1f s THR 1213Ca 0.03 -0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 59.92 3k1f s THR 1213Cb -0.13 -4.43 0.22 0.00 1.34 0.00 0.00 72.50 69.50 3k1f s THR 1213CO 0.02 -1.02 1.46 -0.81 -0.54 0.00 0.00 174.62 173.73 3k1f n PRO 1214N 6.59 3.65 -2.32 3.99 -0.04 -1.26 -5.00 135.00 140.60 3k1f n PRO 1214Ca -0.06 -4.05 -0.42 0.00 -0.04 0.00 0.00 63.50 58.93 3k1f n PRO 1214Cb 0.45 -2.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 3k1f n PRO 1214CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3k1f s ARG 1215N -0.12 4.37 -0.32 0.54 0.52 -1.26 -4.72 118.95 117.96 3k1f s ARG 1215Ca 0.37 1.88 -0.09 0.00 -0.52 0.00 0.00 55.73 57.37 3k1f s ARG 1215Cb -0.01 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 32.09 3k1f s ARG 1215CO -0.00 -0.38 0.14 -0.51 0.02 0.00 0.00 175.30 174.57 3k1f s LEU 1216N 1.41 4.14 -0.18 2.53 1.43 -0.68 -4.83 118.68 122.49 3k1f s LEU 1216Ca 0.61 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3k1f s LEU 1216Cb -0.31 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3k1f s LEU 1216CO 0.28 -0.23 -0.04 -0.31 0.23 0.00 0.00 176.35 176.28 3k1f s TYR 1217N 1.56 2.97 0.20 0.29 2.02 -1.26 -4.27 117.35 118.86 3k1f s TYR 1217Ca 0.03 -0.58 0.29 0.00 -0.37 0.00 0.00 57.07 56.44 3k1f s TYR 1217Cb -0.18 -2.02 1.24 0.00 -0.40 0.00 0.00 41.96 40.60 3k1f s TYR 1217CO 0.05 -0.27 1.95 1.79 -1.57 0.00 0.00 175.55 177.50 3k1f h THR 1218N 5.42 0.35 -3.66 -0.71 1.35 -1.96 -3.43 112.91 110.27 3k1f h THR 1218Ca -0.35 -0.76 -0.46 0.00 -0.55 0.00 0.00 66.41 64.29 3k1f h THR 1218Cb 1.18 1.57 -0.32 0.00 -1.73 0.00 0.00 68.15 68.85 3k1f h THR 1218CO 0.60 0.12 -0.80 -1.81 -0.25 0.00 0.00 175.52 173.38 3k1f s ASP 1219N -5.97 1.43 0.81 5.36 1.11 -1.26 -5.17 116.67 112.98 3k1f s ASP 1219Ca -0.00 -0.23 -0.10 0.00 0.18 0.00 0.00 52.55 52.40 3k1f s ASP 1219Cb 0.10 -0.52 0.11 0.00 1.07 0.00 0.00 42.92 43.69 3k1f s ASP 1219CO 0.59 0.05 1.14 0.00 1.18 0.00 0.00 175.17 178.13 3k1f s ARG 1220N 0.42 1.67 0.00 8.23 1.70 -1.26 -5.06 118.95 124.65 3k1f s ARG 1220Ca -0.08 -0.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 3k1f s ARG 1220Cb -0.12 -2.03 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 3k1f s ARG 1220CO 0.02 -1.68 0.00 -1.13 -1.08 0.00 0.00 175.30 171.43 3k1f n SER 1221N -3.26 0.00 -0.15 -2.89 3.41 -1.26 -4.95 113.62 104.52 3k1f n SER 1221Ca 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.69 3k1f n SER 1221Cb 0.60 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.60 3k1f n SER 1221CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3k1f h ARG 1222N 0.00 0.07 0.00 4.33 2.43 -2.07 -3.46 114.38 115.68 3k1f h ARG 1222Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3k1f h ARG 1222Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3k1f h ARG 1222CO 0.00 0.05 0.00 -3.47 -1.51 0.00 0.00 179.97 175.04 3k1f n ASP 1223N -5.27 0.00 0.00 -3.80 2.03 -1.26 -5.38 116.55 102.87 3k1f n ASP 1223Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3k1f n ASP 1223Cb 0.27 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 3k1f n ASP 1223CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61