#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n GLU 21 N 0.00 0.00 -2.72 0.11 0.28 -1.26 -1.98 120.64 115.07 3i4m n GLU 21 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 3i4m n GLU 21 Cb 0.00 -0.96 0.10 0.00 1.43 0.00 0.00 31.44 32.01 3i4m n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3i4m n SER 22 N 0.47 -1.91 -4.73 -1.84 7.64 -1.26 -3.60 113.62 108.39 3i4m n SER 22 Ca 0.00 -2.99 -0.21 0.00 1.01 0.00 0.00 58.87 56.68 3i4m n SER 22 Cb 0.00 1.30 0.10 0.00 -1.01 0.00 0.00 64.21 64.60 3i4m n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m n ALA 23 N -0.17 0.68 -1.00 -0.43 0.00 -0.84 -4.88 120.51 113.88 3i4m n ALA 23 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.43 3i4m n ALA 23 Cb 0.78 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.67 3i4m n ALA 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i4m n PRO 24 N -2.58 1.47 -3.40 0.00 -0.04 -1.26 -2.46 135.00 126.73 3i4m n PRO 24 Ca 0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.48 3i4m n PRO 24 Cb 0.60 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.96 3i4m n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i4m s ILE 25 N 0.00 -0.46 0.78 0.52 1.01 -1.26 -1.83 121.20 119.96 3i4m s ILE 25 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 3i4m s ILE 25 Cb 0.00 -0.90 0.07 0.00 0.01 0.00 0.00 42.46 41.64 3i4m s ILE 25 CO 0.00 -0.33 1.12 0.42 0.00 0.00 0.00 174.94 176.15 3i4m s THR 26 N 2.41 2.91 0.09 2.92 -4.23 -1.26 -4.29 115.64 114.19 3i4m s THR 26 Ca 0.10 0.33 -0.26 0.00 -1.18 0.00 0.00 61.69 60.68 3i4m s THR 26 Cb -0.14 -2.72 -0.10 0.00 1.34 0.00 0.00 72.50 70.88 3i4m s THR 26 CO -0.25 -0.36 1.42 0.00 -0.54 0.00 0.00 174.62 174.89 3i4m h ALA 27 N -1.04 -0.78 -1.26 3.99 0.00 -1.99 -1.91 119.26 116.27 3i4m h ALA 27 Ca -0.44 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 54.81 3i4m h ALA 27 Cb 1.25 0.91 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 3i4m h ALA 27 CO 0.49 -0.93 0.87 -1.91 0.00 0.00 0.00 179.25 177.77 3i4m n GLU 28 N -4.74 -0.01 0.37 0.00 4.07 -1.26 -0.35 120.64 118.71 3i4m n GLU 28 Ca -0.05 0.84 -0.18 0.00 -0.06 0.00 0.00 57.16 57.72 3i4m n GLU 28 Cb 0.29 -1.81 -0.09 0.00 -0.06 0.00 0.00 31.44 29.76 3i4m n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3i4m h ASP 29 N 0.00 -0.76 -0.73 4.31 3.32 -1.70 -3.19 116.42 117.66 3i4m h ASP 29 Ca 0.67 0.02 0.29 0.00 0.02 0.00 0.00 57.03 58.03 3i4m h ASP 29 Cb 2.47 0.20 -0.11 0.00 0.22 0.00 0.00 39.33 42.10 3i4m h ASP 29 CO -0.15 -0.54 0.42 -1.54 -1.72 0.00 0.00 179.24 175.72 3i4m n SER 30 N -5.47 0.21 -0.12 6.45 3.41 0.52 0.68 113.62 119.29 3i4m n SER 30 Ca -0.14 1.05 -0.05 0.00 -0.26 0.00 0.00 58.87 59.47 3i4m n SER 30 Cb 0.37 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.82 3i4m n SER 30 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3i4m h TRP 31 N 0.00 -0.54 -0.99 7.33 -0.00 -1.72 0.60 115.95 120.63 3i4m h TRP 31 Ca 0.57 0.05 0.22 0.00 -0.00 0.00 0.00 58.89 59.73 3i4m h TRP 31 Cb 1.60 0.30 -0.12 0.00 -0.00 0.00 0.00 29.16 30.95 3i4m h TRP 31 CO -0.01 -0.29 0.58 0.00 -0.00 0.00 0.00 178.44 178.73 3i4m h ALA 32 N 1.14 1.71 0.49 1.49 0.00 0.05 0.41 119.26 124.54 3i4m h ALA 32 Ca 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3i4m h ALA 32 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i4m h ALA 32 CO -0.50 -0.18 -0.23 0.28 0.00 0.00 0.00 179.25 178.61 3i4m h VAL 33 N 0.64 0.49 -0.94 0.00 2.07 0.07 -1.52 116.25 117.06 3i4m h VAL 33 Ca 0.61 -0.23 0.13 0.00 0.82 0.00 0.00 66.70 68.03 3i4m h VAL 33 Cb 1.07 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 3i4m h VAL 33 CO -0.44 0.04 0.60 0.40 0.02 0.00 0.00 177.57 178.19 3i4m h ILE 34 N -0.80 0.88 0.18 4.57 2.04 0.54 0.97 117.51 125.90 3i4m h ILE 34 Ca -0.07 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3i4m h ILE 34 Cb 0.56 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3i4m h ILE 34 CO 0.11 0.15 -0.47 0.28 0.00 0.00 0.00 178.15 178.23 3i4m h SER 35 N 0.85 -1.38 -0.87 1.72 0.02 0.17 -0.57 113.55 113.49 3i4m h SER 35 Ca 0.47 0.14 0.23 0.00 -0.84 0.00 0.00 61.79 61.79 3i4m h SER 35 Cb 0.59 0.50 -0.14 0.00 0.14 0.00 0.00 62.40 63.49 3i4m h SER 35 CO -0.23 -0.54 0.19 0.00 -1.14 0.00 0.00 176.83 175.11 3i4m h ALA 36 N -0.39 1.21 -1.14 3.77 0.00 0.16 0.83 119.26 123.69 3i4m h ALA 36 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3i4m h ALA 36 Cb 0.74 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i4m h ALA 36 CO -0.23 -0.47 0.00 0.34 0.00 0.00 0.00 179.25 178.89 3i4m n PHE 37 N -5.26 0.00 -0.11 0.00 7.35 -0.25 -1.69 117.46 117.50 3i4m n PHE 37 Ca 0.20 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.98 3i4m n PHE 37 Cb 0.66 -0.31 0.44 0.00 0.35 0.00 0.00 39.48 40.62 3i4m n PHE 37 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3i4m h PHE 38 N 0.00 0.57 -0.82 -5.13 0.05 -1.10 0.70 116.94 111.21 3i4m h PHE 38 Ca 0.00 0.01 0.20 0.00 3.82 0.00 0.00 57.97 62.00 3i4m h PHE 38 Cb 0.00 -0.19 -0.14 0.00 2.00 0.00 0.00 35.95 37.63 3i4m h PHE 38 CO -0.38 0.29 0.09 0.00 -0.18 0.00 0.00 178.31 178.12 3i4m h ARG 39 N 0.55 0.13 0.00 1.51 3.08 -0.03 -3.10 114.38 116.52 3i4m h ARG 39 Ca 0.28 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3i4m h ARG 39 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3i4m h ARG 39 CO -0.08 0.09 0.00 -1.91 -1.07 0.00 0.00 179.97 176.99 3i4m n GLU 40 N -5.31 0.00 0.00 0.04 2.13 -0.06 -4.84 120.64 112.60 3i4m n GLU 40 Ca 0.17 0.17 0.00 0.00 0.66 0.00 0.00 57.16 58.16 3i4m n GLU 40 Cb 0.56 -0.59 0.00 0.00 0.27 0.00 0.00 31.44 31.68 3i4m n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i4m n LYS 41 N -1.75 0.00 0.00 5.31 4.76 0.22 -5.02 118.16 121.68 3i4m n LYS 41 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i4m n LYS 41 Cb 0.00 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 3i4m n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i4m n GLY 42 N 0.00 3.92 0.00 0.72 0.00 -1.17 -4.56 105.19 104.09 3i4m n GLY 42 Ca 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.60 3i4m n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 43 N 0.00 0.00 0.00 0.99 4.77 -1.26 -0.28 117.00 121.22 3i4m n LEU 43 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3i4m n LEU 43 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3i4m n LEU 43 CO 0.00 -0.10 0.40 0.52 -1.33 0.00 0.00 177.39 176.87 3i4m n VAL 44 N -1.12 0.62 -0.01 4.08 0.31 -1.26 -4.86 118.33 116.09 3i4m n VAL 44 Ca 0.03 -0.66 -0.00 0.00 -0.01 0.00 0.00 64.34 63.70 3i4m n VAL 44 Cb 0.02 0.73 -0.00 0.00 -0.91 0.00 0.00 33.84 33.68 3i4m n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i4m n SER 45 N -0.31 -0.03 0.00 4.52 3.41 0.62 -1.12 113.62 120.71 3i4m n SER 45 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3i4m n SER 45 Cb 0.30 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3i4m n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4m n GLN 46 N -2.47 0.00 -0.28 4.33 10.64 -1.26 -1.93 117.38 126.41 3i4m n GLN 46 Ca 0.00 0.50 0.18 0.00 -1.83 0.00 0.00 57.00 55.85 3i4m n GLN 46 Cb 0.01 -0.98 0.33 0.00 -0.86 0.00 0.00 30.24 28.75 3i4m n GLN 46 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3i4m n GLN 47 N -1.07 -0.06 0.00 2.61 1.13 -0.27 -2.05 117.38 117.67 3i4m n GLN 47 Ca 0.00 1.20 0.00 0.00 -1.94 0.00 0.00 57.00 56.26 3i4m n GLN 47 Cb 0.00 -1.99 0.00 0.00 0.11 0.00 0.00 30.24 28.36 3i4m n GLN 47 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i4m n LEU 48 N -5.06 0.40 -0.18 1.08 4.77 -0.75 -3.58 117.00 113.68 3i4m n LEU 48 Ca 0.24 0.22 0.02 0.00 -0.03 0.00 0.00 56.01 56.45 3i4m n LEU 48 Cb 0.80 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.94 3i4m n LEU 48 CO -0.04 0.00 0.30 0.47 -1.33 0.00 0.00 177.39 176.79 3i4m n ASP 49 N -0.28 -0.22 0.30 -1.43 8.00 -0.85 0.25 116.55 122.31 3i4m n ASP 49 Ca 0.00 0.82 0.17 0.00 0.71 0.00 0.00 54.79 56.49 3i4m n ASP 49 Cb 0.00 -0.23 0.84 0.00 -0.02 0.00 0.00 41.12 41.72 3i4m n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3i4m h SER 50 N 0.00 0.00 0.00 -2.24 0.87 -1.54 -1.69 113.55 108.95 3i4m h SER 50 Ca 0.20 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 3i4m h SER 50 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3i4m h SER 50 CO -0.48 0.00 -0.64 0.15 -0.53 0.00 0.00 176.83 175.33 3i4m h PHE 51 N 0.00 0.00 0.06 2.24 3.57 0.32 -3.24 116.94 119.89 3i4m h PHE 51 Ca 0.03 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3i4m h PHE 51 Cb 0.66 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 3i4m h PHE 51 CO 0.00 1.03 -0.37 -0.91 -2.23 0.00 0.00 178.31 175.83 3i4m h ASN 52 N -1.00 -1.09 -1.34 0.41 2.35 -1.44 0.33 115.58 113.81 3i4m h ASN 52 Ca -0.16 0.13 0.40 0.00 -0.55 0.00 0.00 56.30 56.12 3i4m h ASN 52 Cb 1.00 0.42 -0.09 0.00 0.05 0.00 0.00 38.32 39.70 3i4m h ASN 52 CO -0.10 -0.43 0.91 -0.61 -1.65 0.00 0.00 177.43 175.55 3i4m h GLN 53 N -0.56 0.11 -0.12 0.81 5.75 -1.50 2.02 115.11 121.62 3i4m h GLN 53 Ca 0.04 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.43 3i4m h GLN 53 Cb 0.62 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 3i4m h GLN 53 CO -0.25 0.08 -0.38 0.35 -2.65 0.00 0.00 178.83 175.97 3i4m h PHE 54 N 0.12 0.29 0.00 3.99 3.57 -0.40 -2.74 116.94 121.77 3i4m h PHE 54 Ca 0.73 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 62.16 3i4m h PHE 54 Cb 2.48 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 41.15 3i4m h PHE 54 CO -0.00 0.60 -0.03 0.28 -2.23 0.00 0.00 178.31 176.93 3i4m n VAL 55 N -4.05 0.07 -0.37 1.41 0.31 0.66 0.83 118.33 117.19 3i4m n VAL 55 Ca -0.01 0.49 0.32 0.00 -0.01 0.00 0.00 64.34 65.13 3i4m n VAL 55 Cb 0.46 -1.54 0.56 0.00 -0.91 0.00 0.00 33.84 32.40 3i4m n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3i4m n ASP 56 N -2.43 0.21 0.00 4.52 8.00 0.08 -3.43 116.55 123.50 3i4m n ASP 56 Ca -0.00 1.23 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3i4m n ASP 56 Cb 0.02 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 3i4m n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i4m n TYR 57 N -4.53 0.00 -0.14 1.24 4.02 -1.20 -4.86 117.16 111.69 3i4m n TYR 57 Ca 0.34 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.27 3i4m n TYR 57 Cb 1.27 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 40.68 3i4m n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3i4m n THR 58 N -0.49 -0.17 0.03 -0.72 -1.04 -1.04 0.18 114.28 111.03 3i4m n THR 58 Ca 0.00 0.92 0.14 0.00 -2.04 0.00 0.00 64.05 63.06 3i4m n THR 58 Cb 0.00 -1.30 0.59 0.00 -1.82 0.00 0.00 70.33 67.80 3i4m n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i4m h LEU 59 N 0.00 0.16 0.23 -4.42 5.85 0.40 -1.57 115.31 115.97 3i4m h LEU 59 Ca 0.22 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3i4m h LEU 59 Cb 0.40 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3i4m h LEU 59 CO -0.40 0.10 -0.11 -0.61 -0.34 0.00 0.00 178.44 177.08 3i4m h GLN 60 N 0.18 -0.30 -0.81 1.25 5.75 -0.45 -3.06 115.11 117.67 3i4m h GLN 60 Ca 0.20 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.90 3i4m h GLN 60 Cb 0.55 0.07 -0.12 0.00 1.07 0.00 0.00 27.48 29.06 3i4m h GLN 60 CO -0.03 0.04 0.27 -0.44 -2.65 0.00 0.00 178.83 176.02 3i4m h ASP 61 N -0.94 0.15 0.86 -0.69 5.19 -1.44 0.33 116.42 119.89 3i4m h ASP 61 Ca -0.03 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 3i4m h ASP 61 Cb 0.48 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 3i4m h ASP 61 CO 0.05 -0.01 -0.08 0.40 -3.12 0.00 0.00 179.24 176.48 3i4m h ILE 62 N 0.34 0.22 0.00 0.35 2.04 -1.39 -2.50 117.51 116.57 3i4m h ILE 62 Ca 0.48 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3i4m h ILE 62 Cb 0.85 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3i4m h ILE 62 CO -0.52 0.07 -0.40 -0.29 0.00 0.00 0.00 178.15 177.02 3i4m h ILE 63 N 0.00 0.04 -3.37 -0.67 6.09 -0.27 -3.44 117.51 115.88 3i4m h ILE 63 Ca -0.00 -1.06 -0.60 0.00 -1.37 0.00 0.00 64.86 61.83 3i4m h ILE 63 Cb 0.53 1.83 -0.33 0.00 0.47 0.00 0.00 36.82 39.32 3i4m h ILE 63 CO 0.01 0.02 -0.85 0.00 -3.07 0.00 0.00 178.15 174.26 3i4m n GLU 65 N 3.69 0.00 -0.48 0.00 0.28 -1.26 -4.73 120.64 118.14 3i4m n GLU 65 Ca -0.21 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.85 3i4m n GLU 65 Cb 0.52 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.59 3i4m n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3i4m n ASP 66 N 0.00 1.99 0.27 -1.84 5.75 -1.26 -4.82 116.55 116.64 3i4m n ASP 66 Ca 0.00 -3.67 -0.17 0.00 -0.01 0.00 0.00 54.79 50.94 3i4m n ASP 66 Cb 0.00 -0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 39.48 3i4m n ASP 66 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3i4m h SER 67 N 0.76 -1.30 -3.16 -1.12 4.64 -1.88 -3.45 113.55 108.04 3i4m h SER 67 Ca 0.02 0.10 -0.44 0.00 -0.47 0.00 0.00 61.79 61.00 3i4m h SER 67 Cb 1.07 0.43 0.22 0.00 -0.31 0.00 0.00 62.40 63.80 3i4m h SER 67 CO 0.04 -0.62 -0.08 0.41 -0.87 0.00 0.00 176.83 175.71 3i4m n THR 68 N -5.29 0.00 0.00 2.95 -1.04 -1.26 -4.75 114.28 104.89 3i4m n THR 68 Ca -0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 3i4m n THR 68 Cb 0.43 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 3i4m n THR 68 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i4m n LEU 69 N -4.77 0.00 -2.57 -4.42 4.77 -1.26 -4.91 117.00 103.84 3i4m n LEU 69 Ca 0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 3i4m n LEU 69 Cb 0.54 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3i4m n LEU 69 CO 0.57 0.00 0.57 -0.38 -1.33 0.00 0.00 177.39 176.82 3i4m n ILE 70 N 0.00 0.00 0.00 -0.08 5.41 -1.26 -5.04 119.36 118.39 3i4m n ILE 70 Ca 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 62.75 62.97 3i4m n ILE 70 Cb 0.00 0.67 0.00 0.00 -0.71 0.00 0.00 39.64 39.60 3i4m n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3i4m n ILE 90 N -0.53 0.00 -3.79 1.39 5.41 -1.26 -4.26 119.36 116.32 3i4m n ILE 90 Ca -0.20 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.31 3i4m n ILE 90 Cb 0.68 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.59 3i4m n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3i4m s SER 91 N 0.00 4.77 -0.03 4.38 1.04 -1.22 -4.29 113.70 118.34 3i4m s SER 91 Ca 0.00 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.47 3i4m s SER 91 Cb 0.00 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 3i4m s SER 91 CO 0.00 -0.81 -0.15 -0.36 0.98 0.00 0.00 173.24 172.90 3i4m s PHE 92 N -2.61 1.47 0.00 5.02 0.40 -1.26 -0.32 117.98 120.67 3i4m s PHE 92 Ca 0.42 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 3i4m s PHE 92 Cb -0.01 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.53 3i4m s PHE 92 CO 0.25 -0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.46 3i4m n GLY 93 N 3.08 3.92 3.41 4.36 0.00 -0.22 -4.84 105.19 114.90 3i4m n GLY 93 Ca -0.17 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 3i4m n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i4m n LYS 94 N 0.00 -0.17 -4.26 1.61 4.81 -1.26 -4.61 118.16 114.28 3i4m n LYS 94 Ca 0.00 -0.01 -0.17 0.00 -0.87 0.00 0.00 58.31 57.26 3i4m n LYS 94 Cb 0.00 -1.83 -0.14 0.00 0.02 0.00 0.00 35.03 33.08 3i4m n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3i4m s ILE 95 N -2.29 0.69 0.11 3.15 2.07 -1.26 -1.76 121.20 121.90 3i4m s ILE 95 Ca 0.58 -0.60 0.10 0.00 -1.41 0.00 0.00 60.65 59.32 3i4m s ILE 95 Cb -0.24 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 3i4m s ILE 95 CO 0.66 0.03 -0.26 -0.31 -1.91 0.00 0.00 174.94 173.16 3i4m s TYR 96 N -0.54 2.20 -0.14 3.50 1.51 0.47 -4.95 117.35 119.39 3i4m s TYR 96 Ca 0.00 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 3i4m s TYR 96 Cb -0.05 -1.22 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 3i4m s TYR 96 CO 0.00 0.27 0.08 0.08 -1.11 0.00 0.00 175.55 174.87 3i4m s VAL 97 N -1.02 -0.10 0.76 0.71 1.01 -1.26 0.10 120.40 120.61 3i4m s VAL 97 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 3i4m s VAL 97 Cb -0.10 -0.47 0.05 0.00 0.00 0.00 0.00 36.38 35.86 3i4m s VAL 97 CO 0.05 -0.17 1.12 0.42 0.00 0.00 0.00 175.10 176.52 3i4m s THR 98 N 2.15 2.95 0.73 3.92 -4.23 -1.15 -5.00 115.64 115.01 3i4m s THR 98 Ca 0.03 0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 3i4m s THR 98 Cb -0.15 -3.24 0.03 0.00 1.34 0.00 0.00 72.50 70.48 3i4m s THR 98 CO -0.08 -0.40 1.09 -0.54 -0.54 0.00 0.00 174.62 174.15 3i4m s LYS 99 N -5.37 2.64 0.07 3.99 1.02 -1.26 -4.21 119.74 116.62 3i4m s LYS 99 Ca 0.60 0.59 -0.08 0.00 0.02 0.00 0.00 55.97 57.10 3i4m s LYS 99 Cb -0.12 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 3i4m s LYS 99 CO 0.52 -1.22 0.13 -2.30 -0.92 0.00 0.00 175.35 171.56 3i4m n PRO 100 N -3.15 0.00 -4.23 -1.68 -0.02 -1.21 -4.69 135.00 120.01 3i4m n PRO 100 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.42 3i4m n PRO 100 Cb 0.56 -0.30 -0.10 0.00 -0.02 0.00 0.00 33.50 33.64 3i4m n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3i4m s MET 101 N -0.30 1.04 -0.47 -0.52 -1.94 -1.19 -2.98 119.30 112.94 3i4m s MET 101 Ca 0.19 -1.47 0.08 0.00 -1.71 0.00 0.00 55.69 52.78 3i4m s MET 101 Cb -0.27 -0.38 0.37 0.00 2.01 0.00 0.00 34.83 36.57 3i4m s MET 101 CO 0.17 -0.04 0.93 0.28 -0.01 0.00 0.00 175.02 176.36 3i4m n VAL 102 N -0.19 1.97 -1.87 -6.03 0.31 0.62 -4.30 118.33 108.83 3i4m n VAL 102 Ca -0.09 -4.95 -0.43 0.00 -0.01 0.00 0.00 64.34 58.86 3i4m n VAL 102 Cb 0.62 -0.89 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 3i4m n VAL 102 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3i4m s ASN 103 N -3.21 5.89 -0.04 4.52 -0.87 -1.26 -3.48 114.94 116.47 3i4m s ASN 103 Ca 0.44 1.65 -0.08 0.00 -1.57 0.00 0.00 52.86 53.31 3i4m s ASN 103 Cb 0.34 -2.52 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 3i4m s ASN 103 CO -0.12 -1.66 0.20 -1.83 -2.57 0.00 0.00 177.10 171.13 3i4m s GLU 104 N 5.60 0.38 0.64 -0.60 -1.05 -1.26 -4.98 118.70 117.45 3i4m s GLU 104 Ca 0.86 0.01 -0.18 0.00 -0.15 0.00 0.00 54.97 55.50 3i4m s GLU 104 Cb -0.28 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.57 3i4m s GLU 104 CO 0.34 -0.08 1.30 -1.54 0.95 0.00 0.00 175.26 176.23 3i4m s SER 105 N -0.57 4.61 0.00 0.83 1.04 -1.18 -0.71 113.70 117.71 3i4m s SER 105 Ca -0.07 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.01 3i4m s SER 105 Cb -0.04 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3i4m s SER 105 CO 0.01 -2.01 0.00 0.47 0.98 0.00 0.00 173.24 172.70 3i4m n ASP 106 N -1.88 -0.45 -3.75 7.02 8.00 -1.26 -4.68 116.55 119.56 3i4m n ASP 106 Ca 0.16 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 3i4m n ASP 106 Cb 0.48 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 3i4m n ASP 106 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i4m s GLY 107 N -2.00 -0.19 0.00 0.44 0.00 0.11 -5.11 107.32 100.57 3i4m s GLY 107 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.26 3i4m s GLY 107 CO 0.00 0.34 0.00 -0.62 0.00 0.00 0.00 173.10 172.82 3i4m n VAL 108 N 1.70 0.00 -3.55 1.40 0.31 -1.26 -3.98 118.33 112.95 3i4m n VAL 108 Ca -0.19 0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.27 3i4m n VAL 108 Cb 0.56 -1.05 -0.05 0.00 -0.91 0.00 0.00 33.84 32.39 3i4m n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i4m s THR 109 N 0.00 -0.55 -0.00 2.52 2.01 -1.26 -3.99 115.64 114.37 3i4m s THR 109 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 3i4m s THR 109 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3i4m s THR 109 CO 0.00 0.00 0.02 -2.28 -0.69 0.00 0.00 174.62 171.67 3i4m s HIS 110 N 2.36 3.13 -0.57 4.92 5.04 -1.23 -4.74 115.29 124.20 3i4m s HIS 110 Ca -0.06 0.11 -0.27 0.00 -1.54 0.00 0.00 55.06 53.31 3i4m s HIS 110 Cb -0.08 -1.69 -0.01 0.00 0.04 0.00 0.00 32.58 30.85 3i4m s HIS 110 CO -0.18 0.49 1.70 0.00 -2.34 0.00 0.00 174.74 174.41 3i4m s ALA 111 N -1.12 2.46 0.67 1.58 0.00 -1.26 0.23 121.76 124.33 3i4m s ALA 111 Ca 0.20 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 3i4m s ALA 111 Cb -0.12 -4.21 0.01 0.00 0.00 0.00 0.00 23.12 18.80 3i4m s ALA 111 CO 0.11 -3.45 1.14 -1.17 0.00 0.00 0.00 175.76 172.39 3i4m s LEU 112 N 7.81 3.38 0.07 0.00 2.96 -1.16 -4.91 118.68 126.84 3i4m s LEU 112 Ca 0.63 2.10 0.04 0.00 -0.22 0.00 0.00 54.13 56.68 3i4m s LEU 112 Cb -0.13 -4.56 -0.03 0.00 0.50 0.00 0.00 46.19 41.97 3i4m s LEU 112 CO 0.23 -1.78 -0.12 -0.31 -1.32 0.00 0.00 176.35 173.05 3i4m s TYR 113 N -2.23 1.08 0.00 5.38 1.51 -1.26 -4.69 117.35 117.14 3i4m s TYR 113 Ca 0.69 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 3i4m s TYR 113 Cb -0.23 -0.61 0.00 0.00 -0.11 0.00 0.00 41.96 41.01 3i4m s TYR 113 CO 0.42 0.02 0.76 -0.35 -1.11 0.00 0.00 175.55 175.29 3i4m n PRO 114 N 1.15 0.00 -0.16 -1.71 -0.04 -1.26 -1.97 135.00 131.01 3i4m n PRO 114 Ca -0.20 0.44 0.15 0.00 -0.04 0.00 0.00 63.50 63.84 3i4m n PRO 114 Cb 0.55 -1.26 0.27 0.00 -0.04 0.00 0.00 33.50 33.02 3i4m n PRO 114 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i4m n GLN 115 N -1.54 -0.02 0.07 0.54 -0.06 -1.26 -0.04 117.38 115.07 3i4m n GLN 115 Ca 0.00 0.58 -0.04 0.00 -2.00 0.00 0.00 57.00 55.54 3i4m n GLN 115 Cb 0.00 -1.07 -0.02 0.00 -4.06 0.00 0.00 30.24 25.09 3i4m n GLN 115 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3i4m h GLU 116 N 0.00 -0.24 -1.49 3.69 4.81 -1.80 -3.05 114.58 116.50 3i4m h GLU 116 Ca 0.37 0.02 0.43 0.00 -0.13 0.00 0.00 59.36 60.05 3i4m h GLU 116 Cb 1.06 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 3i4m h GLU 116 CO -0.29 -0.16 1.13 0.00 -0.73 0.00 0.00 179.01 178.96 3i4m h ALA 117 N -1.40 3.40 0.06 2.92 0.00 0.20 0.83 119.26 125.27 3i4m h ALA 117 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i4m h ALA 117 Cb 0.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i4m h ALA 117 CO 0.04 -1.89 -0.03 0.00 0.00 0.00 0.00 179.25 177.37 3i4m h ARG 118 N 0.00 -0.08 0.05 0.00 3.08 -1.33 0.29 114.38 116.40 3i4m h ARG 118 Ca 0.71 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.76 3i4m h ARG 118 Cb 2.95 0.02 0.00 0.00 0.08 0.00 0.00 29.97 33.02 3i4m h ARG 118 CO -0.01 0.41 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.21 3i4m h LEU 119 N -0.61 -0.06 0.00 3.04 3.38 0.36 -3.16 115.31 118.26 3i4m h LEU 119 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3i4m h LEU 119 Cb 0.53 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i4m h LEU 119 CO 0.01 0.33 0.00 0.54 0.09 0.00 0.00 178.44 179.41 3i4m n ARG 120 N -4.94 0.80 -3.67 1.13 1.74 0.23 -4.92 116.66 107.02 3i4m n ARG 120 Ca -0.08 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.69 3i4m n ARG 120 Cb 0.21 -1.35 0.04 0.00 -1.02 0.00 0.00 32.46 30.35 3i4m n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i4m n ASN 121 N -0.85 -5.39 -4.77 0.55 5.03 0.74 -4.94 115.26 105.63 3i4m n ASN 121 Ca 0.13 -1.00 -0.28 0.00 0.87 0.00 0.00 54.58 54.31 3i4m n ASN 121 Cb 0.06 -3.36 -0.06 0.00 -1.02 0.00 0.00 39.78 35.40 3i4m n ASN 121 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3i4m s LEU 122 N -6.39 2.74 -0.81 3.41 1.43 0.46 -4.08 118.68 115.44 3i4m s LEU 122 Ca 0.46 -1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 3i4m s LEU 122 Cb -0.16 -1.09 0.20 0.00 0.03 0.00 0.00 46.19 45.17 3i4m s LEU 122 CO 0.86 -0.75 0.69 -0.89 0.23 0.00 0.00 176.35 176.49 3i4m s THR 123 N -2.74 4.36 -0.21 5.49 2.01 -1.26 -2.08 115.64 121.21 3i4m s THR 123 Ca 0.28 -3.42 -0.02 0.00 0.31 0.00 0.00 61.69 58.83 3i4m s THR 123 Cb 0.03 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 3i4m s THR 123 CO 0.16 -1.02 1.22 0.00 -0.69 0.00 0.00 174.62 174.28 3i4m n TYR 124 N 2.87 0.00 -3.74 4.92 9.36 -0.62 -4.75 117.16 125.20 3i4m n TYR 124 Ca 0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.38 3i4m n TYR 124 Cb 0.38 -0.48 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 3i4m n TYR 124 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3i4m n SER 125 N 4.57 0.89 -3.54 2.98 3.41 -1.26 -1.67 113.62 119.01 3i4m n SER 125 Ca 0.15 -0.74 -0.11 0.00 -0.26 0.00 0.00 58.87 57.90 3i4m n SER 125 Cb 0.41 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3i4m n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i4m s SER 126 N -0.49 -0.45 0.62 4.04 1.04 -1.17 -3.16 113.70 114.14 3i4m s SER 126 Ca 0.00 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 3i4m s SER 126 Cb 0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3i4m s SER 126 CO 0.00 -1.00 1.03 -0.83 0.98 0.00 0.00 173.24 173.42 3i4m s GLY 127 N -2.79 1.66 -0.14 7.32 0.00 -1.26 -0.33 107.32 111.79 3i4m s GLY 127 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.68 3i4m s GLY 127 CO -0.10 0.19 -0.15 1.08 0.00 0.00 0.00 173.10 174.13 3i4m s LEU 128 N -5.18 1.70 -0.07 0.66 1.02 -1.01 -2.94 118.68 112.86 3i4m s LEU 128 Ca 0.55 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 54.24 3i4m s LEU 128 Cb -0.11 -1.17 -0.03 0.00 0.02 0.00 0.00 46.19 44.90 3i4m s LEU 128 CO 0.54 -0.04 -0.08 -0.36 0.02 0.00 0.00 176.35 176.44 3i4m s PHE 129 N 1.36 2.92 -0.08 0.29 2.99 0.28 0.25 117.98 126.00 3i4m s PHE 129 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 56.93 56.92 3i4m s PHE 129 Cb -0.13 -1.71 0.04 0.00 0.00 0.00 0.00 43.02 41.22 3i4m s PHE 129 CO -0.09 0.31 0.09 0.08 -0.00 0.00 0.00 175.22 175.61 3i4m s VAL 130 N -0.77 -0.15 -0.09 -0.44 1.01 0.12 0.18 120.40 120.26 3i4m s VAL 130 Ca 0.12 0.30 -0.33 0.00 0.00 0.00 0.00 61.98 62.07 3i4m s VAL 130 Cb -0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 36.38 35.90 3i4m s VAL 130 CO 0.01 0.09 1.96 0.47 0.00 0.00 0.00 175.10 177.63 3i4m n ASP 131 N 5.30 3.55 -4.85 3.32 8.00 -0.72 -2.55 116.55 128.59 3i4m n ASP 131 Ca -0.04 0.85 -0.35 0.00 0.71 0.00 0.00 54.79 55.96 3i4m n ASP 131 Cb 0.50 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.11 3i4m n ASP 131 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i4m s VAL 132 N 4.80 5.23 -0.19 2.53 1.01 -1.26 -1.06 120.40 131.45 3i4m s VAL 132 Ca 0.94 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 3i4m s VAL 132 Cb -0.60 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3i4m s VAL 132 CO 0.48 0.49 0.22 -0.75 0.00 0.00 0.00 175.10 175.53 3i4m s LYS 133 N -1.40 4.19 0.00 2.72 2.47 0.56 -4.14 119.74 124.14 3i4m s LYS 133 Ca 0.20 -0.08 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 3i4m s LYS 133 Cb -0.12 -3.46 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 3i4m s LYS 133 CO 0.10 0.20 0.00 1.63 0.16 0.00 0.00 175.35 177.44 3i4m n LYS 134 N 3.77 0.00 -1.47 4.03 5.02 -1.26 -3.38 118.16 124.87 3i4m n LYS 134 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3i4m n LYS 134 Cb 0.52 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 3i4m n LYS 134 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i4m n ARG 135 N 0.00 -4.16 -3.40 1.97 5.12 -1.26 -4.58 116.66 110.34 3i4m n ARG 135 Ca 0.00 3.05 -0.45 0.00 -1.93 0.00 0.00 57.85 58.52 3i4m n ARG 135 Cb 0.00 -3.39 -0.04 0.00 -1.16 0.00 0.00 32.46 27.87 3i4m n ARG 135 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3i4m s THR 136 N -2.50 5.19 -0.47 0.55 2.01 -1.26 -4.81 115.64 114.35 3i4m s THR 136 Ca 0.00 -2.42 -0.17 0.00 0.31 0.00 0.00 61.69 59.41 3i4m s THR 136 Cb 0.00 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.31 3i4m s THR 136 CO 0.00 -0.97 0.47 -0.31 -0.69 0.00 0.00 174.62 173.11 3i4m s TYR 137 N 0.33 3.17 0.00 4.92 1.51 -1.26 -5.18 117.35 120.84 3i4m s TYR 137 Ca 0.16 -0.66 -0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3i4m s TYR 137 Cb -0.15 -3.18 -0.00 0.00 -0.11 0.00 0.00 41.96 38.52 3i4m s TYR 137 CO -0.06 -0.83 0.25 0.39 -1.11 0.00 0.00 175.55 174.19 3i4m n GLU 138 N 5.58 0.08 -3.00 -0.62 1.02 -1.26 -4.98 120.64 117.47 3i4m n GLU 138 Ca -0.09 -0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 56.84 3i4m n GLU 138 Cb 0.45 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3i4m n GLU 138 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i4m n LYS 164 N 2.18 -3.28 -3.83 3.49 0.00 -1.21 -5.21 118.16 110.29 3i4m n LYS 164 Ca 0.01 0.60 -0.22 0.00 -0.00 0.00 0.00 58.31 58.70 3i4m n LYS 164 Cb 0.04 -5.30 -0.02 0.00 -0.00 0.00 0.00 35.03 29.75 3i4m n LYS 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i4m s VAL 165 N -2.88 5.22 -0.11 0.58 1.01 -1.06 -4.89 120.40 118.28 3i4m s VAL 165 Ca 0.25 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3i4m s VAL 165 Cb -0.13 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3i4m s VAL 165 CO 0.31 -0.38 0.03 0.12 0.00 0.00 0.00 175.10 175.18 3i4m s PHE 166 N -2.06 3.24 -0.05 5.22 5.36 -1.26 0.10 117.98 128.54 3i4m s PHE 166 Ca 0.35 0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 56.53 3i4m s PHE 166 Cb -0.09 -1.86 0.03 0.00 -0.34 0.00 0.00 43.02 40.76 3i4m s PHE 166 CO 0.31 0.46 0.01 0.42 -1.46 0.00 0.00 175.22 174.95 3i4m s ILE 167 N -0.70 0.21 0.00 3.12 1.09 0.70 -4.94 121.20 120.68 3i4m s ILE 167 Ca 0.11 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.84 3i4m s ILE 167 Cb -0.12 -0.37 0.00 0.00 -1.06 0.00 0.00 42.46 40.92 3i4m s ILE 167 CO 0.02 0.20 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 3i4m n GLY 168 N 4.82 0.10 2.99 6.18 0.00 -1.26 -2.67 105.19 115.34 3i4m n GLY 168 Ca -0.13 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 3i4m n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4m s ARG 169 N 0.00 1.02 -0.56 1.61 0.52 -1.26 -2.40 118.95 117.87 3i4m s ARG 169 Ca 0.00 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.79 3i4m s ARG 169 Cb 0.00 -0.94 0.14 0.00 0.52 0.00 0.00 34.95 34.67 3i4m s ARG 169 CO 0.00 0.07 0.50 -1.17 0.02 0.00 0.00 175.30 174.72 3i4m s LEU 170 N 0.36 6.14 -0.32 2.53 2.96 0.56 -4.58 118.68 126.31 3i4m s LEU 170 Ca -0.06 -1.96 -0.32 0.00 -0.22 0.00 0.00 54.13 51.58 3i4m s LEU 170 Cb -0.10 -2.16 -0.09 0.00 0.50 0.00 0.00 46.19 44.34 3i4m s LEU 170 CO 0.01 -0.78 2.23 -0.81 -1.32 0.00 0.00 176.35 175.68 3i4m n PRO 171 N 4.97 1.36 -2.57 0.98 -0.04 -1.26 -3.03 135.00 135.42 3i4m n PRO 171 Ca -0.09 0.35 -0.35 0.00 -0.04 0.00 0.00 63.50 63.38 3i4m n PRO 171 Cb 0.41 -2.78 -0.04 0.00 -0.04 0.00 0.00 33.50 31.05 3i4m n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i4m s ILE 172 N 8.02 3.82 0.38 0.52 1.01 -0.67 -4.91 121.20 129.37 3i4m s ILE 172 Ca 1.06 1.21 -0.24 0.00 0.00 0.00 0.00 60.65 62.68 3i4m s ILE 172 Cb -0.64 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 3i4m s ILE 172 CO 0.43 -0.17 1.00 -0.32 0.00 0.00 0.00 174.94 175.87 3i4m s MET 173 N -3.00 4.30 0.79 2.79 -2.45 -1.26 -4.57 119.30 115.90 3i4m s MET 173 Ca 0.64 1.38 -0.12 0.00 -1.25 0.00 0.00 55.69 56.34 3i4m s MET 173 Cb -0.17 -2.55 0.07 0.00 1.25 0.00 0.00 34.83 33.42 3i4m s MET 173 CO 0.22 0.01 1.13 -0.51 1.05 0.00 0.00 175.02 176.91 3i4m s LEU 174 N -2.57 2.57 -0.60 4.11 1.02 -0.22 -3.81 118.68 119.18 3i4m s LEU 174 Ca 0.56 1.06 0.00 0.00 0.02 0.00 0.00 54.13 55.77 3i4m s LEU 174 Cb -0.18 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.38 3i4m s LEU 174 CO 0.23 -1.84 0.00 -1.14 0.02 0.00 0.00 176.35 173.62 3i4m n ARG 175 N -3.32 -2.38 -4.14 1.70 3.00 -1.26 -3.01 116.66 107.25 3i4m n ARG 175 Ca 0.07 0.34 -0.25 0.00 -0.00 0.00 0.00 57.85 58.01 3i4m n ARG 175 Cb 0.58 -4.84 -0.07 0.00 0.00 0.00 0.00 32.46 28.13 3i4m n ARG 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3i4m s SER 176 N -1.96 4.42 0.17 6.15 1.04 -1.25 -4.72 113.70 117.55 3i4m s SER 176 Ca 0.00 -1.10 -0.26 0.00 0.48 0.00 0.00 55.95 55.08 3i4m s SER 176 Cb 0.00 -0.44 0.02 0.00 0.10 0.00 0.00 66.02 65.70 3i4m s SER 176 CO 0.00 -0.56 1.46 0.29 0.98 0.00 0.00 173.24 175.41 3i4m n LYS 177 N -1.25 -0.36 0.00 4.02 5.02 -1.26 0.30 118.16 124.63 3i4m n LYS 177 Ca -0.01 1.43 0.06 0.00 -2.02 0.00 0.00 58.31 57.77 3i4m n LYS 177 Cb 0.65 -2.11 0.35 0.00 -0.02 0.00 0.00 35.03 33.89 3i4m n LYS 177 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3i4m n ASN 178 N -5.24 0.00 -4.76 4.39 5.15 -1.26 -4.72 115.26 108.82 3i4m n ASN 178 Ca 0.04 -0.64 -0.36 0.00 -0.60 0.00 0.00 54.58 53.03 3i4m n ASN 178 Cb 0.28 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.45 3i4m n ASN 178 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i4m h TYR 180 N 5.89 0.99 -0.06 0.00 -1.99 -1.84 -0.18 116.97 119.78 3i4m h TYR 180 Ca -0.46 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.32 3i4m h TYR 180 Cb 1.19 -0.31 -0.00 0.00 2.00 0.00 0.00 36.73 39.61 3i4m h TYR 180 CO 0.65 0.30 0.05 -0.07 -0.00 0.00 0.00 178.16 179.09 3i4m h LEU 181 N 0.78 0.00 -0.81 3.88 3.38 -1.93 -2.84 115.31 117.77 3i4m h LEU 181 Ca 0.52 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.68 3i4m h LEU 181 Cb 0.78 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 3i4m h LEU 181 CO -0.29 0.00 0.23 0.77 0.09 0.00 0.00 178.44 179.24 3i4m h SER 182 N 0.00 0.06 0.00 -0.43 4.64 -1.21 -2.93 113.55 113.68 3i4m h SER 182 Ca 0.03 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3i4m h SER 182 Cb 0.13 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3i4m h SER 182 CO -0.00 -0.06 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.53 3i4m h GLU 183 N 0.28 0.00 -2.25 4.77 5.08 -1.68 -3.49 114.58 117.29 3i4m h GLU 183 Ca 0.48 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.62 3i4m h GLU 183 Cb 0.87 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.20 3i4m h GLU 183 CO -0.56 0.00 -0.53 0.00 -1.00 0.00 0.00 179.01 176.93 3i4m n ALA 184 N -2.70 -2.64 -3.32 3.43 0.00 -1.11 -5.03 120.51 109.15 3i4m n ALA 184 Ca -0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 3i4m n ALA 184 Cb 0.02 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 3i4m n ALA 184 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i4m s THR 185 N -0.75 0.04 0.00 0.00 -4.23 -1.26 -4.91 115.64 104.53 3i4m s THR 185 Ca 0.19 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 3i4m s THR 185 Cb -0.14 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.97 3i4m s THR 185 CO 0.27 -0.18 0.00 1.21 -0.54 0.00 0.00 174.62 175.38 3i4m n GLU 186 N 1.19 0.00 0.00 3.99 4.07 -1.26 -0.59 120.64 128.03 3i4m n GLU 186 Ca -0.21 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.89 3i4m n GLU 186 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 3i4m n GLU 186 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3i4m n SER 187 N 1.30 0.00 -0.29 4.31 3.41 -1.26 -0.37 113.62 120.72 3i4m n SER 187 Ca 0.00 0.58 -0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3i4m n SER 187 Cb 0.00 -0.25 0.04 0.00 -0.26 0.00 0.00 64.21 63.74 3i4m n SER 187 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i4m n ASP 188 N -2.25 -0.47 0.00 4.04 8.00 0.24 -0.12 116.55 126.00 3i4m n ASP 188 Ca 0.00 1.33 0.00 0.00 0.71 0.00 0.00 54.79 56.83 3i4m n ASP 188 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3i4m n ASP 188 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i4m n LEU 189 N -5.14 0.00 -0.35 0.64 4.77 0.50 -0.81 117.00 116.61 3i4m n LEU 189 Ca 0.08 0.93 0.33 0.00 -0.03 0.00 0.00 56.01 57.33 3i4m n LEU 189 Cb 0.31 -0.43 0.59 0.00 -2.33 0.00 0.00 43.42 41.56 3i4m n LEU 189 CO -0.10 -0.43 1.06 -1.22 -1.33 0.00 0.00 177.39 175.36 3i4m n TYR 190 N -1.88 0.97 -0.12 -1.77 4.02 -0.30 0.24 117.16 118.32 3i4m n TYR 190 Ca 0.00 0.98 -0.12 0.00 -0.01 0.00 0.00 57.90 58.75 3i4m n TYR 190 Cb 0.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 39.34 37.90 3i4m n TYR 190 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3i4m h LYS 191 N 0.00 0.75 0.00 -0.72 1.57 -0.31 -2.39 116.57 115.48 3i4m h LYS 191 Ca 0.82 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3i4m h LYS 191 Cb 2.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.61 3i4m h LYS 191 CO -0.64 0.95 0.00 1.28 -0.57 0.00 0.00 179.45 180.47 3i4m n LEU 192 N -4.30 0.00 0.00 2.94 4.77 0.65 -4.84 117.00 116.22 3i4m n LEU 192 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3i4m n LEU 192 Cb 0.41 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3i4m n LEU 192 CO 0.44 -0.01 0.00 0.29 -1.33 0.00 0.00 177.39 176.77 3i4m n LYS 193 N -1.04 0.00 -1.62 3.23 5.02 0.10 -4.69 118.16 119.16 3i4m n LYS 193 Ca 0.15 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.94 3i4m n LYS 193 Cb 0.08 -0.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.54 3i4m n LYS 193 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i4m n GLU 194 N -0.10 1.77 -1.87 1.97 -0.58 -1.19 -4.79 120.64 115.85 3i4m n GLU 194 Ca 0.00 0.61 -0.41 0.00 -0.42 0.00 0.00 57.16 56.94 3i4m n GLU 194 Cb 0.00 -2.59 -0.02 0.00 -0.57 0.00 0.00 31.44 28.26 3i4m n GLU 194 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i4m h PRO 196 N 4.87 -1.08 0.00 0.00 0.13 -1.92 -2.82 132.00 131.18 3i4m h PRO 196 Ca -0.47 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3i4m h PRO 196 Cb 1.22 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.59 3i4m h PRO 196 CO 0.78 -0.72 0.74 0.74 -0.23 0.00 0.00 178.00 179.31 3i4m h PHE 197 N -1.12 0.00 -3.96 1.56 -1.00 -2.00 -3.41 116.94 107.01 3i4m h PHE 197 Ca -0.10 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.14 3i4m h PHE 197 Cb 0.89 0.00 0.11 0.00 3.61 0.00 0.00 35.95 40.56 3i4m h PHE 197 CO -0.07 0.00 0.77 0.34 -1.61 0.00 0.00 178.31 177.75 3i4m s ASP 198 N -3.33 6.20 0.00 2.17 2.15 -1.06 -4.92 116.67 117.88 3i4m s ASP 198 Ca -0.01 3.05 0.12 0.00 0.43 0.00 0.00 52.55 56.14 3i4m s ASP 198 Cb 0.03 -2.67 0.28 0.00 -0.30 0.00 0.00 42.92 40.25 3i4m s ASP 198 CO 0.08 -0.97 1.18 1.15 -0.17 0.00 0.00 175.17 176.44 3i4m n MET 199 N 0.28 2.37 0.00 4.34 0.00 -1.26 -5.06 117.12 117.79 3i4m n MET 199 Ca 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 57.70 55.83 3i4m n MET 199 Cb 0.40 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.34 3i4m n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i4m n GLY 200 N 0.61 0.91 1.24 3.17 0.00 -1.26 -4.86 105.19 104.99 3i4m n GLY 200 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i4m n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLY 201 N 0.00 0.64 3.22 -0.02 0.00 -1.16 -4.99 105.19 102.88 3i4m n GLY 201 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 3i4m n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i4m s TYR 202 N -2.00 1.18 0.30 1.61 -0.85 -1.26 -4.80 117.35 111.53 3i4m s TYR 202 Ca 0.00 -1.24 0.08 0.00 -0.52 0.00 0.00 57.07 55.39 3i4m s TYR 202 Cb 0.00 -0.64 -0.04 0.00 0.38 0.00 0.00 41.96 41.66 3i4m s TYR 202 CO 0.00 -0.47 0.13 -0.06 -1.52 0.00 0.00 175.55 173.63 3i4m s PHE 203 N -3.96 2.80 -0.37 -3.49 0.40 0.01 -1.05 117.98 112.33 3i4m s PHE 203 Ca 0.33 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 3i4m s PHE 203 Cb 0.07 -1.48 0.11 0.00 0.51 0.00 0.00 43.02 42.23 3i4m s PHE 203 CO 0.09 0.44 0.13 0.42 0.70 0.00 0.00 175.22 176.99 3i4m s ILE 204 N -2.33 1.73 -0.11 0.64 1.01 -1.26 -0.27 121.20 120.61 3i4m s ILE 204 Ca 0.35 -2.22 -0.03 0.00 0.00 0.00 0.00 60.65 58.75 3i4m s ILE 204 Cb -0.05 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3i4m s ILE 204 CO 0.23 -0.70 -0.01 -0.63 0.00 0.00 0.00 174.94 173.83 3i4m s ILE 205 N 0.86 4.22 0.00 2.92 1.09 -0.59 -1.58 121.20 128.13 3i4m s ILE 205 Ca 0.13 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.41 3i4m s ILE 205 Cb -0.20 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.39 3i4m s ILE 205 CO -0.11 0.56 0.00 0.59 -0.10 0.00 0.00 174.94 175.88 3i4m n ASN 206 N 2.64 -0.02 0.00 3.58 3.02 -1.15 -2.04 115.26 121.29 3i4m n ASN 206 Ca -0.18 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 3i4m n ASN 206 Cb 0.53 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3i4m n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i4m n GLY 207 N -0.01 2.20 3.86 7.41 0.00 -0.88 -4.39 105.19 113.38 3i4m n GLY 207 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3i4m n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4m s SER 208 N 0.00 6.14 -0.70 1.61 1.04 -0.86 -4.43 113.70 116.49 3i4m s SER 208 Ca 0.00 1.46 -0.26 0.00 0.48 0.00 0.00 55.95 57.63 3i4m s SER 208 Cb 0.00 -2.48 0.04 0.00 0.10 0.00 0.00 66.02 63.68 3i4m s SER 208 CO 0.00 -0.93 1.21 -1.61 0.98 0.00 0.00 173.24 172.89 3i4m s GLU 209 N -5.06 3.22 0.02 4.02 2.02 -1.26 -1.54 118.70 120.12 3i4m s GLU 209 Ca 0.56 -0.28 -0.19 0.00 0.02 0.00 0.00 54.97 55.08 3i4m s GLU 209 Cb -0.11 -4.16 -0.06 0.00 0.10 0.00 0.00 34.13 29.89 3i4m s GLU 209 CO 0.52 -2.01 0.56 0.15 0.02 0.00 0.00 175.26 174.49 3i4m s LYS 210 N 5.30 4.23 -0.33 1.61 -0.14 0.62 -1.34 119.74 129.70 3i4m s LYS 210 Ca 0.34 0.68 0.00 0.00 -1.36 0.00 0.00 55.97 55.63 3i4m s LYS 210 Cb -0.10 -3.29 0.08 0.00 -1.68 0.00 0.00 37.83 32.84 3i4m s LYS 210 CO 0.16 0.50 0.04 0.08 -0.76 0.00 0.00 175.35 175.37 3i4m s VAL 211 N -0.60 2.77 -0.11 3.17 1.01 -1.00 -0.81 120.40 124.82 3i4m s VAL 211 Ca 0.29 -1.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.15 3i4m s VAL 211 Cb -0.18 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 3i4m s VAL 211 CO 0.17 -0.35 2.07 0.18 0.00 0.00 0.00 175.10 177.17 3i4m n LEU 212 N 4.50 3.54 -4.74 3.92 4.77 -1.26 -1.84 117.00 125.88 3i4m n LEU 212 Ca -0.07 0.62 -0.38 0.00 -0.03 0.00 0.00 56.01 56.15 3i4m n LEU 212 Cb 0.42 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 3i4m n LEU 212 CO 0.26 -0.25 0.22 -0.51 -1.33 0.00 0.00 177.39 175.78 3i4m s ILE 213 N 6.06 5.10 -0.07 -0.08 -1.16 -1.26 -4.71 121.20 125.07 3i4m s ILE 213 Ca 0.96 1.06 -0.36 0.00 -0.51 0.00 0.00 60.65 61.80 3i4m s ILE 213 Cb -0.48 -3.86 -0.13 0.00 0.61 0.00 0.00 42.46 38.60 3i4m s ILE 213 CO 0.42 0.36 1.75 0.00 -2.81 0.00 0.00 174.94 174.66 3i4m n ALA 214 N 3.33 0.57 -2.78 1.50 0.00 -1.21 -4.72 120.51 117.21 3i4m n ALA 214 Ca -0.07 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 3i4m n ALA 214 Cb 0.51 -2.38 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 3i4m n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3i4m s GLN 215 N 3.10 3.74 0.19 0.00 -1.52 -1.01 -0.61 119.66 123.55 3i4m s GLN 215 Ca 0.91 -0.45 -0.14 0.00 -1.95 0.00 0.00 55.36 53.73 3i4m s GLN 215 Cb -0.79 -3.55 -0.07 0.00 -0.22 0.00 0.00 33.01 28.38 3i4m s GLN 215 CO 0.52 -0.23 0.59 -2.00 -0.25 0.00 0.00 175.29 173.92 3i4m s GLU 216 N 1.69 3.98 0.21 2.91 2.12 -0.88 -1.00 118.70 127.73 3i4m s GLU 216 Ca 0.06 0.52 -0.23 0.00 0.36 0.00 0.00 54.97 55.68 3i4m s GLU 216 Cb -0.16 -2.83 0.05 0.00 0.26 0.00 0.00 34.13 31.45 3i4m s GLU 216 CO 0.08 0.41 0.74 -0.98 -0.54 0.00 0.00 175.26 174.97 3i4m s ARG 217 N -2.21 1.50 0.02 4.30 1.04 0.08 -4.35 118.95 119.34 3i4m s ARG 217 Ca 0.42 -0.76 -0.30 0.00 -1.04 0.00 0.00 55.73 54.04 3i4m s ARG 217 Cb -0.14 0.56 -0.04 0.00 -2.04 0.00 0.00 34.95 33.29 3i4m s ARG 217 CO 0.20 -0.68 1.00 0.45 -0.04 0.00 0.00 175.30 176.22 3i4m s SER 218 N -2.85 7.36 1.00 -2.89 0.15 -1.26 0.49 113.70 115.69 3i4m s SER 218 Ca 0.08 1.71 -0.14 0.00 0.70 0.00 0.00 55.95 58.30 3i4m s SER 218 Cb -0.04 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.76 3i4m s SER 218 CO 0.00 -0.25 0.31 0.00 1.20 0.00 0.00 173.24 174.50 3i4m n ALA 219 N 3.74 -3.01 -3.49 5.45 0.00 0.10 -4.72 120.51 118.58 3i4m n ALA 219 Ca 0.06 -0.80 -0.03 0.00 0.00 0.00 0.00 53.44 52.67 3i4m n ALA 219 Cb 0.50 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3i4m n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4m n GLY 220 N 1.62 2.94 4.00 0.00 0.00 -1.26 -4.78 105.19 107.70 3i4m n GLY 220 Ca 0.05 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 3i4m n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4m n ASN 221 N -2.07 -2.32 -3.81 1.61 3.02 1.28 -4.88 115.26 108.09 3i4m n ASN 221 Ca -0.00 -1.02 -0.13 0.00 -0.03 0.00 0.00 54.58 53.40 3i4m n ASN 221 Cb 0.06 -1.23 -0.13 0.00 -0.61 0.00 0.00 39.78 37.87 3i4m n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i4m s ILE 222 N -3.91 -0.00 -0.21 2.41 1.01 -1.24 -4.45 121.20 114.81 3i4m s ILE 222 Ca 0.30 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 3i4m s ILE 222 Cb -0.17 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 3i4m s ILE 222 CO 0.77 0.01 0.74 -0.69 0.00 0.00 0.00 174.94 175.76 3i4m s VAL 223 N 0.17 4.92 0.03 2.92 1.01 -1.26 -3.75 120.40 124.45 3i4m s VAL 223 Ca -0.01 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3i4m s VAL 223 Cb -0.02 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3i4m s VAL 223 CO -0.00 0.02 -0.04 -1.10 0.00 0.00 0.00 175.10 173.98 3i4m s GLN 224 N 2.31 0.43 -0.08 2.72 -0.21 0.09 -4.97 119.66 119.95 3i4m s GLN 224 Ca 0.33 -0.79 0.03 0.00 0.02 0.00 0.00 55.36 54.95 3i4m s GLN 224 Cb -0.16 0.05 0.01 0.00 1.00 0.00 0.00 33.01 33.91 3i4m s GLN 224 CO 0.10 -0.04 -0.17 0.14 -2.12 0.00 0.00 175.29 173.19 3i4m s VAL 225 N -2.02 1.55 -0.09 1.09 -7.23 -1.26 0.14 120.40 112.58 3i4m s VAL 225 Ca -0.09 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 3i4m s VAL 225 Cb -0.06 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.52 3i4m s VAL 225 CO -0.03 0.45 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.71 3i4m s PHE 226 N 0.57 1.79 0.50 2.82 2.99 0.13 -0.71 117.98 126.07 3i4m s PHE 226 Ca -0.15 -0.78 -0.21 0.00 0.00 0.00 0.00 56.93 55.78 3i4m s PHE 226 Cb -0.17 -1.30 -0.06 0.00 0.00 0.00 0.00 43.02 41.49 3i4m s PHE 226 CO 0.05 -0.40 1.18 0.15 -0.00 0.00 0.00 175.22 176.19 3i4m s LYS 227 N 0.88 3.52 0.02 0.44 1.02 -1.26 -2.22 119.74 122.14 3i4m s LYS 227 Ca -0.09 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.67 3i4m s LYS 227 Cb -0.15 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 3i4m s LYS 227 CO 0.01 -0.75 0.10 0.15 -0.92 0.00 0.00 175.35 173.94 3i4m s LYS 228 N -2.93 3.09 1.02 1.68 -0.14 -0.63 -4.93 119.74 116.91 3i4m s LYS 228 Ca 0.68 -0.51 -0.23 0.00 -1.36 0.00 0.00 55.97 54.55 3i4m s LYS 228 Cb -0.28 -2.87 -0.11 0.00 -1.68 0.00 0.00 37.83 32.89 3i4m s LYS 228 CO 0.34 0.63 -0.95 0.00 -0.76 0.00 0.00 175.35 174.60 3i4m n ALA 229 N 0.96 -5.20 -0.28 5.17 0.00 -1.26 -4.85 120.51 115.04 3i4m n ALA 229 Ca -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 53.44 52.08 3i4m n ALA 229 Cb 0.52 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.96 3i4m n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m h ALA 230 N -1.28 0.99 -0.36 0.00 0.00 -1.98 -3.23 119.26 113.40 3i4m h ALA 230 Ca -0.44 -0.10 -0.70 0.00 0.00 0.00 0.00 54.91 53.67 3i4m h ALA 230 Cb 1.37 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3i4m h ALA 230 CO 0.26 0.48 2.75 -0.35 0.00 0.00 0.00 179.25 182.39 3i4m n PRO 231 N -4.46 3.01 -3.67 0.00 -0.04 -1.26 -4.84 135.00 123.73 3i4m n PRO 231 Ca 0.07 -2.89 -0.09 0.00 -0.04 0.00 0.00 63.50 60.56 3i4m n PRO 231 Cb 0.07 -3.34 -0.10 0.00 -0.04 0.00 0.00 33.50 30.09 3i4m n PRO 231 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i4m s SER 232 N 3.46 -0.40 0.53 3.54 0.15 -1.22 -4.99 113.70 114.77 3i4m s SER 232 Ca 0.49 1.01 0.23 0.00 0.70 0.00 0.00 55.95 58.38 3i4m s SER 232 Cb 0.10 1.23 1.45 0.00 -1.71 0.00 0.00 66.02 67.08 3i4m s SER 232 CO -0.03 -0.22 2.13 1.55 1.20 0.00 0.00 173.24 177.88 3i4m h PRO 233 N 7.81 0.00 -6.39 5.44 0.13 -1.92 -3.41 132.00 133.66 3i4m h PRO 233 Ca -0.22 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.36 3i4m h PRO 233 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 3i4m h PRO 233 CO 0.17 0.07 -0.07 0.42 -0.23 0.00 0.00 178.00 178.37 3i4m s ILE 234 N -4.62 4.84 0.00 -3.56 1.09 -1.26 -2.71 121.20 114.98 3i4m s ILE 234 Ca -0.04 0.79 0.00 0.00 -1.10 0.00 0.00 60.65 60.30 3i4m s ILE 234 Cb 0.15 -3.71 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 3i4m s ILE 234 CO 0.61 0.15 0.00 -0.24 -0.10 0.00 0.00 174.94 175.36 3i4m n SER 235 N 0.52 0.00 -4.36 3.58 2.88 -0.68 -4.72 113.62 110.84 3i4m n SER 235 Ca -0.03 0.15 -0.19 0.00 -1.33 0.00 0.00 58.87 57.47 3i4m n SER 235 Cb 0.52 -0.25 -0.10 0.00 -0.75 0.00 0.00 64.21 63.63 3i4m n SER 235 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3i4m s HIS 236 N -0.50 1.78 0.01 0.66 3.76 -1.26 -1.60 115.29 118.14 3i4m s HIS 236 Ca 0.00 -0.55 0.03 0.00 -0.15 0.00 0.00 55.06 54.39 3i4m s HIS 236 Cb 0.00 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 3i4m s HIS 236 CO 0.00 0.40 -0.10 0.08 -0.85 0.00 0.00 174.74 174.26 3i4m s VAL 237 N -2.92 0.81 -0.19 -0.90 1.01 -0.94 -3.01 120.40 114.26 3i4m s VAL 237 Ca 0.24 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3i4m s VAL 237 Cb -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3i4m s VAL 237 CO 0.08 0.11 -0.18 0.00 0.00 0.00 0.00 175.10 175.11 3i4m s ALA 238 N -0.46 2.39 0.34 5.51 0.00 -1.00 -0.70 121.76 127.84 3i4m s ALA 238 Ca 0.02 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.81 3i4m s ALA 238 Cb -0.05 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.75 3i4m s ALA 238 CO 0.00 -0.41 -0.05 -1.21 0.00 0.00 0.00 175.76 174.09 3i4m s GLU 239 N 1.30 1.77 -0.30 0.00 2.02 0.12 -0.82 118.70 122.79 3i4m s GLU 239 Ca 0.04 -1.93 -0.11 0.00 0.02 0.00 0.00 54.97 52.99 3i4m s GLU 239 Cb -0.13 -1.49 0.12 0.00 0.10 0.00 0.00 34.13 32.72 3i4m s GLU 239 CO -0.12 0.05 0.67 -1.50 0.02 0.00 0.00 175.26 174.38 3i4m s ILE 240 N -2.78 -0.79 -0.22 -1.63 2.07 -0.97 -0.73 121.20 116.15 3i4m s ILE 240 Ca 0.33 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.34 3i4m s ILE 240 Cb 0.05 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 3i4m s ILE 240 CO 0.16 0.00 0.72 -0.13 -1.91 0.00 0.00 174.94 173.78 3i4m s ARG 241 N 2.63 4.19 -0.13 3.50 0.52 -1.25 -0.32 118.95 128.10 3i4m s ARG 241 Ca -0.07 0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 55.88 3i4m s ARG 241 Cb -0.10 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3i4m s ARG 241 CO -0.19 -0.38 -0.07 -1.54 0.02 0.00 0.00 175.30 173.14 3i4m s SER 242 N 1.30 4.55 -0.17 0.23 1.04 -0.93 0.39 113.70 120.11 3i4m s SER 242 Ca 0.31 -0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 3i4m s SER 242 Cb -0.16 -1.64 0.06 0.00 0.10 0.00 0.00 66.02 64.39 3i4m s SER 242 CO 0.09 0.20 0.42 0.00 0.98 0.00 0.00 173.24 174.93 3i4m s ALA 243 N 0.18 -1.08 0.05 5.32 0.00 -1.23 -2.02 121.76 122.98 3i4m s ALA 243 Ca -0.04 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 3i4m s ALA 243 Cb -0.14 -0.97 -0.08 0.00 0.00 0.00 0.00 23.12 21.92 3i4m s ALA 243 CO 0.03 -0.31 1.76 -0.51 0.00 0.00 0.00 175.76 176.73 3i4m s LEU 244 N 1.51 4.38 0.26 0.00 1.43 -1.22 -4.86 118.68 120.18 3i4m s LEU 244 Ca -0.09 2.54 -0.01 0.00 -1.03 0.00 0.00 54.13 55.53 3i4m s LEU 244 Cb -0.09 -3.55 0.55 0.00 0.03 0.00 0.00 46.19 43.13 3i4m s LEU 244 CO -0.13 -0.95 1.72 -0.33 0.23 0.00 0.00 176.35 176.89 3i4m h GLU 245 N 9.09 0.44 -3.74 1.70 5.08 -1.98 -3.39 114.58 121.77 3i4m h GLU 245 Ca -0.44 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 3i4m h GLU 245 Cb 1.21 -0.10 -0.17 0.00 0.50 0.00 0.00 28.75 30.19 3i4m h GLU 245 CO 0.94 0.29 -0.47 0.15 -1.00 0.00 0.00 179.01 178.92 3i4m s LYS 246 N -5.97 0.65 0.00 2.33 1.02 -1.26 -4.96 119.74 111.55 3i4m s LYS 246 Ca -0.12 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.12 3i4m s LYS 246 Cb 0.22 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.79 3i4m s LYS 246 CO 0.77 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.43 3i4m n GLY 247 N 0.62 -0.70 4.73 -3.33 0.00 -1.26 -4.59 105.19 100.66 3i4m n GLY 247 Ca -0.18 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3i4m n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i4m n SER 248 N -0.10 0.00 -2.77 1.61 2.88 -1.26 -4.57 113.62 109.42 3i4m n SER 248 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3i4m n SER 248 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 3i4m n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i4m n ARG 249 N 0.00 -1.27 -2.30 -1.46 1.74 -1.26 -4.97 116.66 107.13 3i4m n ARG 249 Ca 0.00 1.08 -0.43 0.00 -0.77 0.00 0.00 57.85 57.73 3i4m n ARG 249 Cb 0.00 -4.85 -0.02 0.00 -1.02 0.00 0.00 32.46 26.57 3i4m n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i4m s PHE 250 N -3.10 2.66 -0.61 -1.55 2.99 -1.26 -4.71 117.98 112.39 3i4m s PHE 250 Ca 0.12 0.80 0.02 0.00 0.00 0.00 0.00 56.93 57.88 3i4m s PHE 250 Cb -0.02 -3.62 0.15 0.00 0.00 0.00 0.00 43.02 39.54 3i4m s PHE 250 CO 0.58 -2.28 0.39 0.42 -0.00 0.00 0.00 175.22 174.33 3i4m s ILE 251 N 3.42 3.02 -0.06 0.64 1.01 -1.25 -3.38 121.20 124.60 3i4m s ILE 251 Ca 0.60 -3.52 0.06 0.00 0.00 0.00 0.00 60.65 57.79 3i4m s ILE 251 Cb -0.26 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3i4m s ILE 251 CO 0.20 -0.88 -0.23 -0.94 0.00 0.00 0.00 174.94 173.08 3i4m s SER 252 N -0.36 2.90 0.24 3.58 1.04 -0.85 -4.95 113.70 115.29 3i4m s SER 252 Ca 0.20 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 55.99 3i4m s SER 252 Cb -0.19 -0.85 -0.08 0.00 0.10 0.00 0.00 66.02 65.00 3i4m s SER 252 CO -0.05 0.22 0.65 -0.89 0.98 0.00 0.00 173.24 174.14 3i4m s THR 253 N -0.07 4.75 -0.29 2.02 2.01 -1.26 -2.19 115.64 120.61 3i4m s THR 253 Ca -0.05 0.88 -0.05 0.00 0.31 0.00 0.00 61.69 62.78 3i4m s THR 253 Cb -0.14 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.70 3i4m s THR 253 CO 0.04 0.02 0.03 -0.22 -0.69 0.00 0.00 174.62 173.80 3i4m s LEU 254 N -2.50 3.70 -0.18 4.42 2.96 0.57 -4.82 118.68 122.83 3i4m s LEU 254 Ca 0.47 -0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 3i4m s LEU 254 Cb -0.13 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 3i4m s LEU 254 CO 0.19 -0.19 0.25 -1.10 -1.32 0.00 0.00 176.35 174.18 3i4m s GLN 255 N 1.41 4.22 -0.59 1.98 -0.21 -1.24 -2.29 119.66 122.93 3i4m s GLN 255 Ca 0.01 -0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.42 3i4m s GLN 255 Cb -0.17 -3.44 0.16 0.00 1.00 0.00 0.00 33.01 30.55 3i4m s GLN 255 CO 0.00 0.21 0.42 0.08 -2.12 0.00 0.00 175.29 173.88 3i4m s VAL 256 N 0.57 2.09 0.00 1.09 1.01 -0.00 0.11 120.40 125.26 3i4m s VAL 256 Ca 0.14 -3.64 0.00 0.00 0.00 0.00 0.00 61.98 58.48 3i4m s VAL 256 Cb -0.13 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3i4m s VAL 256 CO 0.03 -1.04 0.00 0.29 0.00 0.00 0.00 175.10 174.38 3i4m n LYS 257 N 2.41 1.56 -2.65 2.72 5.02 0.46 -2.37 118.16 125.31 3i4m n LYS 257 Ca 0.20 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.45 3i4m n LYS 257 Cb 0.38 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.46 3i4m n LYS 257 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3i4m n LEU 258 N 0.00 -1.05 0.00 -0.35 7.94 -1.16 -4.05 117.00 118.32 3i4m n LEU 258 Ca 0.00 -1.30 -0.07 0.00 -1.11 0.00 0.00 56.01 53.53 3i4m n LEU 258 Cb 0.00 0.51 0.07 0.00 0.53 0.00 0.00 43.42 44.53 3i4m n LEU 258 CO 0.00 1.39 0.08 -1.22 -1.11 0.00 0.00 177.39 176.53 3i4m n TYR 259 N 1.76 -1.67 -2.05 1.96 4.02 -0.68 -1.69 117.16 118.81 3i4m n TYR 259 Ca 0.03 0.04 -0.02 0.00 -0.01 0.00 0.00 57.90 57.94 3i4m n TYR 259 Cb 0.71 -0.75 -0.01 0.00 -0.02 0.00 0.00 39.34 39.26 3i4m n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i4m n GLY 260 N -0.36 -4.76 3.83 2.72 0.00 -1.10 -4.43 105.19 101.09 3i4m n GLY 260 Ca 0.03 0.38 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 3i4m n GLY 260 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i4m s ARG 261 N -0.95 2.97 -0.62 1.61 6.06 -1.24 -4.30 118.95 122.48 3i4m s ARG 261 Ca -0.08 0.89 -0.13 0.00 -2.50 0.00 0.00 55.73 53.91 3i4m s ARG 261 Cb 0.01 -2.00 -0.16 0.00 0.06 0.00 0.00 34.95 32.86 3i4m s ARG 261 CO 0.22 -1.06 1.76 -1.91 -2.50 0.00 0.00 175.30 171.81 3i4m n GLU 262 N -3.09 0.11 0.00 5.12 2.13 -1.26 -3.11 120.64 120.53 3i4m n GLU 262 Ca 0.07 -0.56 0.00 0.00 0.66 0.00 0.00 57.16 57.33 3i4m n GLU 262 Cb 0.54 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.10 3i4m n GLU 262 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i4m n GLY 263 N 5.49 -1.25 3.63 8.31 0.00 -1.26 -5.10 105.19 115.00 3i4m n GLY 263 Ca 0.33 0.44 -0.50 0.00 0.00 0.00 0.00 46.02 46.28 3i4m n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4m n SER 264 N 0.00 2.27 0.00 1.61 3.41 -1.18 -4.93 113.62 114.80 3i4m n SER 264 Ca 0.00 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 3i4m n SER 264 Cb 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 3i4m n SER 264 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i4m n SER 265 N 3.32 0.00 -2.42 4.04 3.41 -1.26 -4.36 113.62 116.35 3i4m n SER 265 Ca 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 3i4m n SER 265 Cb 0.22 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 3i4m n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4m n ALA 266 N -3.00 -0.51 0.05 7.33 0.00 -1.26 -4.56 120.51 118.55 3i4m n ALA 266 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i4m n ALA 266 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3i4m n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i4m n ARG 267 N -1.51 0.29 -1.73 0.00 5.12 -1.26 -3.92 116.66 113.64 3i4m n ARG 267 Ca 0.01 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3i4m n ARG 267 Cb 0.13 -1.36 -0.01 0.00 -1.16 0.00 0.00 32.46 30.06 3i4m n ARG 267 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3i4m n THR 268 N 1.41 1.71 -4.08 0.55 5.66 -1.26 -4.56 114.28 113.71 3i4m n THR 268 Ca 0.00 -0.43 -0.35 0.00 -3.05 0.00 0.00 64.05 60.22 3i4m n THR 268 Cb 0.14 -1.75 -0.13 0.00 -1.55 0.00 0.00 70.33 67.05 3i4m n THR 268 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3i4m s ILE 269 N -0.79 3.88 0.10 1.09 1.01 -1.26 -1.68 121.20 123.55 3i4m s ILE 269 Ca 0.58 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.94 3i4m s ILE 269 Cb -0.54 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3i4m s ILE 269 CO 0.59 0.43 -0.12 -0.54 0.00 0.00 0.00 174.94 175.30 3i4m s LYS 270 N 1.02 0.92 -0.00 2.79 1.02 -1.26 -2.53 119.74 121.69 3i4m s LYS 270 Ca 0.02 -1.17 0.03 0.00 0.02 0.00 0.00 55.97 54.87 3i4m s LYS 270 Cb -0.14 -0.71 -0.01 0.00 -0.52 0.00 0.00 37.83 36.44 3i4m s LYS 270 CO 0.01 0.13 -0.09 0.00 -0.92 0.00 0.00 175.35 174.48 3i4m s ALA 271 N -2.19 0.77 0.17 5.17 0.00 -0.21 0.17 121.76 125.63 3i4m s ALA 271 Ca 0.06 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 3i4m s ALA 271 Cb -0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 3i4m s ALA 271 CO 0.02 0.18 0.47 0.99 0.00 0.00 0.00 175.76 177.42 3i4m s THR 272 N -0.26 5.03 0.04 0.00 2.01 0.30 -1.23 115.64 121.53 3i4m s THR 272 Ca 0.03 0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.41 3i4m s THR 272 Cb -0.04 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3i4m s THR 272 CO -0.00 0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.14 3i4m s LEU 273 N -2.55 2.22 0.18 4.42 1.43 -1.26 -3.73 118.68 119.40 3i4m s LEU 273 Ca 0.42 -0.49 -0.33 0.00 -1.03 0.00 0.00 54.13 52.70 3i4m s LEU 273 Cb -0.12 -0.19 -0.15 0.00 0.03 0.00 0.00 46.19 45.76 3i4m s LEU 273 CO 0.22 -0.16 1.38 -0.81 0.23 0.00 0.00 176.35 177.21 3i4m n PRO 274 N 1.66 1.73 0.00 1.29 -0.04 -1.26 -0.62 135.00 137.76 3i4m n PRO 274 Ca -0.21 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3i4m n PRO 274 Cb 0.55 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3i4m n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i4m n TYR 275 N 2.29 0.00 -2.59 0.54 4.02 -1.26 -4.89 117.16 115.28 3i4m n TYR 275 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.63 3i4m n TYR 275 Cb 0.27 -0.50 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 3i4m n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3i4m s ILE 276 N -1.85 3.89 0.00 -0.72 1.01 0.21 -3.90 121.20 119.83 3i4m s ILE 276 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3i4m s ILE 276 Cb 0.00 -4.97 0.00 0.00 0.01 0.00 0.00 42.46 37.50 3i4m s ILE 276 CO 0.00 -1.86 0.45 0.29 0.00 0.00 0.00 174.94 173.82 3i4m n LYS 277 N 8.95 0.00 -3.71 2.79 5.02 0.49 -4.47 118.16 127.23 3i4m n LYS 277 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3i4m n LYS 277 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3i4m n LYS 277 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3i4m n GLN 278 N 2.88 -0.54 -4.29 1.97 7.27 -1.26 -4.75 117.38 118.66 3i4m n GLN 278 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 3i4m n GLN 278 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 3i4m n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3i4m s ASP 279 N -4.00 4.50 -0.03 1.69 1.01 -1.26 -4.00 116.67 114.58 3i4m s ASP 279 Ca 0.00 -0.62 0.05 0.00 0.71 0.00 0.00 52.55 52.69 3i4m s ASP 279 Cb 0.00 -0.83 -0.01 0.00 1.01 0.00 0.00 42.92 43.09 3i4m s ASP 279 CO 0.00 0.03 -0.18 -0.63 0.21 0.00 0.00 175.17 174.60 3i4m s ILE 280 N -2.17 1.47 -0.39 0.77 1.01 -0.36 -4.93 121.20 116.60 3i4m s ILE 280 Ca 0.30 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 3i4m s ILE 280 Cb -0.07 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 3i4m s ILE 280 CO 0.19 0.42 1.56 -2.16 0.00 0.00 0.00 174.94 174.95 3i4m s PRO 281 N -0.12 3.47 0.07 2.79 0.04 -1.26 -1.05 135.00 138.94 3i4m s PRO 281 Ca -0.00 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.19 3i4m s PRO 281 Cb -0.10 -4.10 0.27 0.00 0.04 0.00 0.00 34.50 30.61 3i4m s PRO 281 CO 0.01 -1.70 0.30 0.44 0.04 0.00 0.00 177.00 176.10 3i4m n ILE 282 N 7.21 -0.07 0.00 0.56 -5.35 -1.05 -0.77 119.36 119.89 3i4m n ILE 282 Ca 0.19 0.37 0.00 0.00 -0.27 0.00 0.00 62.75 63.04 3i4m n ILE 282 Cb 0.48 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 3i4m n ILE 282 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3i4m n VAL 283 N -3.30 0.00 -0.22 7.28 0.31 -1.26 -1.57 118.33 119.57 3i4m n VAL 283 Ca 0.07 1.38 0.11 0.00 -0.01 0.00 0.00 64.34 65.89 3i4m n VAL 283 Cb 0.26 -2.14 0.21 0.00 -0.91 0.00 0.00 33.84 31.26 3i4m n VAL 283 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i4m n ILE 284 N -2.06 -0.27 0.34 2.52 5.41 0.05 0.57 119.36 125.93 3i4m n ILE 284 Ca 0.00 1.37 -0.17 0.00 1.00 0.00 0.00 62.75 64.95 3i4m n ILE 284 Cb 0.00 -2.04 -0.09 0.00 -0.71 0.00 0.00 39.64 36.81 3i4m n ILE 284 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3i4m h ILE 285 N 0.00 0.35 -0.39 1.39 2.04 -1.48 -2.08 117.51 117.34 3i4m h ILE 285 Ca 0.41 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 66.27 3i4m h ILE 285 Cb 0.89 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3i4m h ILE 285 CO -0.58 0.01 0.70 -0.26 0.00 0.00 0.00 178.15 178.03 3i4m h PHE 286 N -0.92 0.00 0.03 1.37 -1.00 0.12 0.82 116.94 117.35 3i4m h PHE 286 Ca -0.09 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.39 3i4m h PHE 286 Cb 0.68 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 3i4m h PHE 286 CO -0.02 0.00 -1.74 0.00 -1.61 0.00 0.00 178.31 174.94 3i4m h ARG 287 N 0.00 0.06 0.00 1.51 3.08 -1.27 0.20 114.38 117.96 3i4m h ARG 287 Ca 0.19 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3i4m h ARG 287 Cb 1.59 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.67 3i4m h ARG 287 CO -0.00 0.65 -0.21 0.00 -1.07 0.00 0.00 179.97 179.34 3i4m h ALA 288 N 0.81 1.08 0.00 0.04 0.00 0.12 -0.98 119.26 120.32 3i4m h ALA 288 Ca -0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3i4m h ALA 288 Cb 2.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 3i4m h ALA 288 CO 0.08 0.27 -0.23 -0.07 0.00 0.00 0.00 179.25 179.30 3i4m h LEU 289 N 0.00 0.00 0.00 0.00 3.38 -0.62 -3.45 115.31 114.62 3i4m h LEU 289 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i4m h LEU 289 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3i4m h LEU 289 CO 0.03 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.40 3i4m n GLY 290 N 1.04 0.74 2.26 0.83 0.00 -0.37 -4.75 105.19 104.93 3i4m n GLY 290 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 3i4m n GLY 290 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4m n ILE 291 N 0.00 -0.00 -0.34 -0.61 5.41 0.68 -4.98 119.36 119.51 3i4m n ILE 291 Ca 0.00 -4.35 0.14 0.00 1.00 0.00 0.00 62.75 59.54 3i4m n ILE 291 Cb 0.00 -0.12 0.35 0.00 -0.71 0.00 0.00 39.64 39.17 3i4m n ILE 291 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3i4m h ILE 292 N 1.30 0.70 -3.57 1.39 2.04 -1.82 -3.38 117.51 114.17 3i4m h ILE 292 Ca 0.07 -0.24 -0.52 0.00 1.00 0.00 0.00 64.86 65.17 3i4m h ILE 292 Cb 1.00 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3i4m h ILE 292 CO 0.50 0.13 0.09 -2.16 0.00 0.00 0.00 178.15 176.71 3i4m s PRO 293 N -5.78 4.18 0.00 2.37 0.04 -1.26 -4.82 135.00 129.73 3i4m s PRO 293 Ca -0.11 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3i4m s PRO 293 Cb 0.25 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3i4m s PRO 293 CO 0.80 0.36 0.00 -0.25 0.04 0.00 0.00 177.00 177.95 3i4m n ASP 294 N 0.54 -0.50 0.00 6.66 10.43 -1.26 -2.52 116.55 129.91 3i4m n ASP 294 Ca -0.02 -0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.28 3i4m n ASP 294 Cb 0.51 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.47 3i4m n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i4m n GLY 295 N 0.99 0.00 0.05 0.44 0.00 -1.26 -3.48 105.19 101.93 3i4m n GLY 295 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3i4m n GLY 295 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i4m n GLU 296 N -0.57 1.79 0.22 1.61 2.13 -1.20 -3.75 120.64 120.87 3i4m n GLU 296 Ca 0.00 0.02 0.15 0.00 0.66 0.00 0.00 57.16 57.99 3i4m n GLU 296 Cb 0.00 -1.21 0.69 0.00 0.27 0.00 0.00 31.44 31.19 3i4m n GLU 296 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3i4m h ILE 297 N 0.00 0.00 0.13 6.31 2.04 -1.52 -2.16 117.51 122.31 3i4m h ILE 297 Ca -0.23 -0.26 -0.22 0.00 1.00 0.00 0.00 64.86 65.16 3i4m h ILE 297 Cb 1.46 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3i4m h ILE 297 CO -0.01 0.00 -1.01 -0.07 0.00 0.00 0.00 178.15 177.06 3i4m h LEU 298 N 0.00 0.44 -1.95 1.44 -0.00 -1.84 -3.29 115.31 110.12 3i4m h LEU 298 Ca 0.00 -0.92 0.28 0.00 -0.00 0.00 0.00 57.88 57.24 3i4m h LEU 298 Cb 0.30 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.78 3i4m h LEU 298 CO 0.00 1.47 0.70 -0.33 -0.00 0.00 0.00 178.44 180.28 3i4m h GLU 299 N -0.35 0.03 0.03 1.13 5.08 -1.47 0.94 114.58 119.97 3i4m h GLU 299 Ca -0.20 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.94 3i4m h GLU 299 Cb 1.68 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 3i4m h GLU 299 CO 0.12 0.02 -0.99 0.45 -1.00 0.00 0.00 179.01 177.61 3i4m h HIS 300 N 0.03 0.30 0.00 4.33 3.86 -1.65 -3.38 115.15 118.64 3i4m h HIS 300 Ca 0.47 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3i4m h HIS 300 Cb 1.82 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.27 3i4m h HIS 300 CO -0.00 1.06 -0.22 0.82 0.86 0.00 0.00 177.93 180.45 3i4m h ILE 301 N 0.08 0.00 -3.46 2.45 2.04 -0.47 -3.33 117.51 114.82 3i4m h ILE 301 Ca -0.06 -0.74 -0.62 0.00 1.00 0.00 0.00 64.86 64.44 3i4m h ILE 301 Cb 1.67 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.59 3i4m h ILE 301 CO 0.15 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.77 3i4m n TYR 303 N 4.03 2.98 -3.15 0.00 0.53 -1.26 -4.03 117.16 116.26 3i4m n TYR 303 Ca -0.16 -2.57 0.05 0.00 -1.02 0.00 0.00 57.90 54.20 3i4m n TYR 303 Cb 0.52 -1.14 -0.01 0.00 -1.03 0.00 0.00 39.34 37.68 3i4m n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3i4m s ASP 304 N -1.98 -0.92 0.00 7.72 -1.08 -1.26 -4.84 116.67 114.31 3i4m s ASP 304 Ca 0.60 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 53.10 3i4m s ASP 304 Cb 0.48 1.73 0.00 0.00 -1.46 0.00 0.00 42.92 43.67 3i4m s ASP 304 CO 0.02 -0.17 1.08 0.52 0.52 0.00 0.00 175.17 177.14 3i4m n VAL 305 N 5.42 1.08 -0.91 1.11 0.31 -1.26 -2.34 118.33 121.74 3i4m n VAL 305 Ca -0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3i4m n VAL 305 Cb 0.53 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 3i4m n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i4m n ASN 306 N 0.93 0.13 -2.41 4.52 3.02 -1.26 -4.73 115.26 115.45 3i4m n ASN 306 Ca 0.00 -1.04 -0.26 0.00 -0.03 0.00 0.00 54.58 53.25 3i4m n ASN 306 Cb 0.41 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 3i4m n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i4m n ASP 307 N -0.02 6.59 -0.47 6.41 -0.08 -0.99 -4.67 116.55 123.33 3i4m n ASP 307 Ca 0.00 -3.25 0.38 0.00 -1.51 0.00 0.00 54.79 50.41 3i4m n ASP 307 Cb 0.33 -1.18 0.58 0.00 2.34 0.00 0.00 41.12 43.19 3i4m n ASP 307 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 3i4m n TRP 308 N 0.62 0.00 0.00 -0.67 4.27 -1.26 -0.27 117.44 120.13 3i4m n TRP 308 Ca 0.47 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.08 3i4m n TRP 308 Cb 0.54 -0.35 0.00 0.00 -1.36 0.00 0.00 31.31 30.14 3i4m n TRP 308 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3i4m n GLN 309 N -3.37 0.00 -0.17 -2.67 6.02 -1.26 -1.09 117.38 114.83 3i4m n GLN 309 Ca 0.32 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.29 3i4m n GLN 309 Cb 1.53 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 31.90 3i4m n GLN 309 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3i4m n MET 310 N -0.46 -0.13 -0.01 -1.09 1.56 0.63 0.16 117.12 117.78 3i4m n MET 310 Ca 0.00 0.67 -0.02 0.00 -0.27 0.00 0.00 57.70 58.08 3i4m n MET 310 Cb 0.00 -0.99 -0.01 0.00 2.15 0.00 0.00 33.22 34.37 3i4m n MET 310 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3i4m h LEU 311 N 0.00 -0.20 0.00 -0.89 3.38 -1.43 -3.10 115.31 113.07 3i4m h LEU 311 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i4m h LEU 311 Cb 0.24 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3i4m h LEU 311 CO -0.43 -0.04 0.00 1.21 0.09 0.00 0.00 178.44 179.27 3i4m n GLU 312 N -2.98 0.00 -0.47 1.13 4.07 0.43 0.16 120.64 122.99 3i4m n GLU 312 Ca -0.00 0.12 0.38 0.00 -0.06 0.00 0.00 57.16 57.60 3i4m n GLU 312 Cb 0.04 -0.20 0.68 0.00 -0.06 0.00 0.00 31.44 31.89 3i4m n GLU 312 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 3i4m h MET 313 N 0.00 0.08 0.00 5.31 2.86 -1.52 1.91 114.93 123.58 3i4m h MET 313 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3i4m h MET 313 Cb 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3i4m h MET 313 CO 0.00 0.06 -0.16 -0.07 1.06 0.00 0.00 176.91 177.79 3i4m h LEU 314 N 0.09 0.00 0.00 1.22 3.38 0.16 -3.16 115.31 117.00 3i4m h LEU 314 Ca 0.80 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.77 3i4m h LEU 314 Cb 2.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.41 3i4m h LEU 314 CO -0.31 0.16 0.00 0.29 0.09 0.00 0.00 178.44 178.67 3i4m n LYS 315 N -3.91 0.00 -0.24 1.13 5.02 0.65 0.21 118.16 121.01 3i4m n LYS 315 Ca -0.02 0.71 0.21 0.00 -2.02 0.00 0.00 58.31 57.19 3i4m n LYS 315 Cb 0.25 -1.36 0.54 0.00 -0.02 0.00 0.00 35.03 34.44 3i4m n LYS 315 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3i4m h PRO 316 N 0.00 0.34 -0.27 1.97 0.13 -1.72 1.04 132.00 133.49 3i4m h PRO 316 Ca 0.00 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.17 3i4m h PRO 316 Cb 0.00 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.04 3i4m h PRO 316 CO 0.00 0.22 0.19 0.00 -0.23 0.00 0.00 178.00 178.18 3i4m h VAL 318 N 0.11 0.28 0.00 0.00 2.07 0.55 -3.24 116.25 116.02 3i4m h VAL 318 Ca 0.12 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3i4m h VAL 318 Cb 0.36 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3i4m h VAL 318 CO -0.01 0.09 0.49 -0.33 0.02 0.00 0.00 177.57 177.82 3i4m h GLU 319 N -1.01 0.00 0.08 1.57 5.08 -1.29 0.79 114.58 119.80 3i4m h GLU 319 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i4m h GLU 319 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3i4m h GLU 319 CO 0.01 0.00 -0.04 0.22 -1.00 0.00 0.00 179.01 178.20 3i4m h ASP 320 N 0.00 -0.09 -0.12 1.42 1.82 -1.48 -2.88 116.42 115.09 3i4m h ASP 320 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 3i4m h ASP 320 Cb 0.97 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.00 3i4m h ASP 320 CO 0.00 -0.02 0.00 0.61 -1.61 0.00 0.00 179.24 178.22 3i4m n GLY 321 N -1.01 0.47 0.34 -0.78 0.00 0.27 -4.34 105.19 100.14 3i4m n GLY 321 Ca -0.08 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.54 3i4m n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i4m h PHE 322 N 2.91 0.00 -0.00 1.61 3.57 -1.13 0.59 116.94 124.50 3i4m h PHE 322 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i4m h PHE 322 Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3i4m h PHE 322 CO 0.07 0.00 -0.39 0.28 -2.23 0.00 0.00 178.31 176.04 3i4m n VAL 323 N -2.78 0.00 -3.80 1.41 0.31 -1.26 -4.79 118.33 107.43 3i4m n VAL 323 Ca -0.01 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.08 3i4m n VAL 323 Cb 0.56 0.16 -0.04 0.00 -0.91 0.00 0.00 33.84 33.61 3i4m n VAL 323 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3i4m s ILE 324 N -2.91 3.21 0.00 2.52 2.07 0.21 -5.05 121.20 121.24 3i4m s ILE 324 Ca 0.14 -1.42 0.00 0.00 -1.41 0.00 0.00 60.65 57.96 3i4m s ILE 324 Cb 0.18 -3.10 0.00 0.00 0.13 0.00 0.00 42.46 39.67 3i4m s ILE 324 CO 0.64 -0.13 0.06 1.67 -1.91 0.00 0.00 174.94 175.27 3i4m n GLN 325 N -1.38 0.00 -3.49 3.50 -0.06 -1.26 -4.97 117.38 109.71 3i4m n GLN 325 Ca -0.01 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.85 3i4m n GLN 325 Cb 0.61 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.74 3i4m n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3i4m s ASP 326 N 0.00 -0.57 0.00 1.69 -4.77 -1.26 -4.93 116.67 106.83 3i4m s ASP 326 Ca 0.00 0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 3i4m s ASP 326 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 42.92 42.35 3i4m s ASP 326 CO 0.00 -0.71 0.16 -1.14 0.70 0.00 0.00 175.17 174.19 3i4m n ARG 327 N 0.34 0.00 0.00 2.11 0.63 -1.23 -0.61 116.66 117.90 3i4m n ARG 327 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3i4m n ARG 327 Cb 0.60 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 32.31 3i4m n ARG 327 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3i4m n GLU 328 N -0.61 0.00 0.08 -0.14 4.07 -1.26 -3.94 120.64 118.85 3i4m n GLU 328 Ca 0.00 0.02 0.21 0.00 -0.06 0.00 0.00 57.16 57.33 3i4m n GLU 328 Cb 0.00 -0.33 0.69 0.00 -0.06 0.00 0.00 31.44 31.74 3i4m n GLU 328 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 3i4m h THR 329 N 0.00 0.26 0.73 6.31 2.02 -1.86 -0.94 112.91 119.42 3i4m h THR 329 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3i4m h THR 329 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3i4m h THR 329 CO 0.00 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.48 3i4m h ALA 330 N 1.30 -1.25 0.00 6.16 0.00 -1.06 -0.42 119.26 123.99 3i4m h ALA 330 Ca 0.21 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3i4m h ALA 330 Cb 1.33 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 3i4m h ALA 330 CO -0.00 -1.19 -0.55 -0.07 0.00 0.00 0.00 179.25 177.44 3i4m h LEU 331 N -1.06 0.00 0.16 0.00 4.07 -1.42 -3.18 115.31 113.88 3i4m h LEU 331 Ca -0.10 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.87 3i4m h LEU 331 Cb 0.83 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3i4m h LEU 331 CO 0.12 0.55 -0.21 -0.78 -1.08 0.00 0.00 178.44 177.04 3i4m h ASP 332 N 0.00 -0.58 0.00 -0.43 3.58 -1.09 -2.90 116.42 114.99 3i4m h ASP 332 Ca -0.01 0.06 -0.20 0.00 0.42 0.00 0.00 57.03 57.31 3i4m h ASP 332 Cb 0.98 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 3i4m h ASP 332 CO 0.07 -0.30 0.83 0.33 -2.88 0.00 0.00 179.24 177.29 3i4m n PHE 333 N -5.34 0.44 0.00 0.28 7.35 -0.18 0.12 117.46 120.13 3i4m n PHE 333 Ca -0.07 -1.22 0.00 0.00 -0.76 0.00 0.00 57.45 55.39 3i4m n PHE 333 Cb 0.25 -1.28 0.00 0.00 0.35 0.00 0.00 39.48 38.80 3i4m n PHE 333 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3i4m n ILE 334 N 3.18 0.00 -0.63 -2.13 5.41 -1.10 -4.84 119.36 119.25 3i4m n ILE 334 Ca 0.31 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 64.02 3i4m n ILE 334 Cb 0.40 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.32 3i4m n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i4m n GLY 335 N -0.10 2.79 0.00 7.39 0.00 0.31 -1.47 105.19 114.11 3i4m n GLY 335 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3i4m n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4m n ARG 336 N 1.47 0.00 -1.58 1.61 1.74 -1.26 -4.74 116.66 113.89 3i4m n ARG 336 Ca 0.10 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.84 3i4m n ARG 336 Cb 0.56 -0.24 -0.04 0.00 -1.02 0.00 0.00 32.46 31.72 3i4m n ARG 336 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i4m n ARG 337 N -1.00 3.68 0.00 5.56 5.12 -0.54 -3.98 116.66 125.50 3i4m n ARG 337 Ca 0.00 -2.61 0.00 0.00 -1.93 0.00 0.00 57.85 53.31 3i4m n ARG 337 Cb 0.00 -2.54 0.00 0.00 -1.16 0.00 0.00 32.46 28.76 3i4m n ARG 337 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i4m n GLY 338 N 2.27 0.67 3.92 -0.13 0.00 -1.25 -0.38 105.19 110.29 3i4m n GLY 338 Ca 0.63 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 3i4m n GLY 338 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i4m s THR 339 N 0.00 5.12 0.19 2.61 -1.32 -1.26 -4.85 115.64 116.14 3i4m s THR 339 Ca 0.00 -0.21 -0.33 0.00 -1.21 0.00 0.00 61.69 59.94 3i4m s THR 339 Cb 0.00 -3.75 -0.15 0.00 -1.51 0.00 0.00 72.50 67.09 3i4m s THR 339 CO 0.00 -0.28 1.33 0.00 -2.21 0.00 0.00 174.62 173.45 3i4m n ALA 340 N -0.92 0.21 0.00 11.08 0.00 -1.26 -4.77 120.51 124.85 3i4m n ALA 340 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3i4m n ALA 340 Cb 0.54 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3i4m n ALA 340 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i4m n LEU 341 N 2.28 0.00 0.00 0.00 7.94 -1.26 -1.26 117.00 124.69 3i4m n LEU 341 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 3i4m n LEU 341 Cb 0.27 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3i4m n LEU 341 CO 0.62 -0.00 -0.43 0.61 -1.11 0.00 0.00 177.39 177.08 3i4m n GLY 342 N -0.90 0.00 2.52 -3.96 0.00 -1.26 -5.03 105.19 96.55 3i4m n GLY 342 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i4m n GLY 342 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4m n ILE 343 N -1.54 0.00 -1.09 -0.61 2.08 -0.39 -4.54 119.36 113.26 3i4m n ILE 343 Ca 0.00 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.18 3i4m n ILE 343 Cb 0.21 -0.36 -0.14 0.00 -0.75 0.00 0.00 39.64 38.60 3i4m n ILE 343 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3i4m n LYS 344 N 6.11 0.00 0.00 0.38 5.02 -1.26 -4.61 118.16 123.80 3i4m n LYS 344 Ca 0.47 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3i4m n LYS 344 Cb 0.02 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 3i4m n LYS 344 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i4m n LYS 345 N 4.18 0.00 0.00 1.97 5.02 -1.26 -2.89 118.16 125.18 3i4m n LYS 345 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3i4m n LYS 345 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 3i4m n LYS 345 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i4m n GLU 346 N 0.00 0.00 -0.30 1.97 2.13 -1.26 0.19 120.64 123.37 3i4m n GLU 346 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 3i4m n GLU 346 Cb 0.00 0.00 0.30 0.00 0.27 0.00 0.00 31.44 32.01 3i4m n GLU 346 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 3i4m h LYS 347 N 0.00 0.26 -0.87 5.31 2.10 -1.86 -0.57 116.57 120.94 3i4m h LYS 347 Ca 0.00 -0.02 0.23 0.00 -2.00 0.00 0.00 60.65 58.86 3i4m h LYS 347 Cb 0.00 -0.06 -0.15 0.00 -0.90 0.00 0.00 32.23 31.12 3i4m h LYS 347 CO 0.00 0.17 0.14 0.07 -2.00 0.00 0.00 179.45 177.83 3i4m h ARG 348 N 0.26 0.13 -0.26 0.07 0.11 0.18 0.59 114.38 115.46 3i4m h ARG 348 Ca 0.55 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.65 3i4m h ARG 348 Cb 1.10 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 3i4m h ARG 348 CO -0.61 0.09 0.11 0.82 0.10 0.00 0.00 179.97 180.47 3i4m h ILE 349 N 0.13 0.96 -0.38 0.08 2.04 -1.26 -0.82 117.51 118.27 3i4m h ILE 349 Ca 0.53 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 66.36 3i4m h ILE 349 Cb 1.06 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3i4m h ILE 349 CO -0.72 0.04 0.25 -0.61 0.00 0.00 0.00 178.15 177.12 3i4m h GLN 350 N 0.24 0.30 -0.18 2.37 5.75 0.07 -1.56 115.11 122.10 3i4m h GLN 350 Ca 0.11 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.56 3i4m h GLN 350 Cb 0.06 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3i4m h GLN 350 CO -0.10 0.20 -0.03 -0.92 -2.65 0.00 0.00 178.83 175.33 3i4m h TYR 351 N 0.30 0.38 -0.53 3.99 3.20 0.50 -2.86 116.97 121.96 3i4m h TYR 351 Ca 0.16 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 62.04 3i4m h TYR 351 Cb 0.26 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.37 3i4m h TYR 351 CO -0.00 0.58 0.17 0.00 -1.64 0.00 0.00 178.16 177.26 3i4m h ALA 352 N 0.74 0.64 -1.17 1.82 0.00 -0.32 -2.42 119.26 118.56 3i4m h ALA 352 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i4m h ALA 352 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i4m h ALA 352 CO 0.01 -0.24 0.00 1.63 0.00 0.00 0.00 179.25 180.65 3i4m n LYS 353 N -5.04 0.00 -0.20 0.00 5.02 -0.82 -1.88 118.16 115.25 3i4m n LYS 353 Ca 0.06 0.62 -0.05 0.00 -2.02 0.00 0.00 58.31 56.92 3i4m n LYS 353 Cb 0.24 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 3i4m n LYS 353 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i4m n ASP 354 N -1.92 -0.50 -0.14 4.39 8.00 -1.09 -1.01 116.55 124.29 3i4m n ASP 354 Ca 0.00 1.03 -0.04 0.00 0.71 0.00 0.00 54.79 56.50 3i4m n ASP 354 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 3i4m n ASP 354 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i4m n ILE 355 N -4.19 -0.22 -0.47 0.53 5.41 -0.93 0.74 119.36 120.24 3i4m n ILE 355 Ca 0.01 1.79 0.42 0.00 1.00 0.00 0.00 62.75 65.97 3i4m n ILE 355 Cb 0.12 -2.31 0.71 0.00 -0.71 0.00 0.00 39.64 37.45 3i4m n ILE 355 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3i4m h LEU 356 N 0.00 0.00 0.00 1.39 3.38 -0.33 0.48 115.31 120.22 3i4m h LEU 356 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i4m h LEU 356 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i4m h LEU 356 CO -0.31 0.00 -0.00 -0.61 0.09 0.00 0.00 178.44 177.61 3i4m h GLN 357 N 0.00 -0.00 0.00 1.13 4.15 0.60 -3.31 115.11 117.68 3i4m h GLN 357 Ca 0.72 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 60.00 3i4m h GLN 357 Cb 3.15 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 30.82 3i4m h GLN 357 CO -0.01 0.81 -1.95 1.63 -1.93 0.00 0.00 178.83 177.38 3i4m n LYS 358 N -4.64 0.66 -0.07 1.69 5.02 -0.52 -3.92 118.16 116.37 3i4m n LYS 358 Ca -0.08 -0.05 -0.04 0.00 -2.02 0.00 0.00 58.31 56.11 3i4m n LYS 358 Cb 0.39 -1.59 -0.15 0.00 -0.02 0.00 0.00 35.03 33.66 3i4m n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i4m n GLU 359 N -2.54 0.83 -2.53 1.97 -0.58 0.16 -4.50 120.64 113.45 3i4m n GLU 359 Ca -0.14 -0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.12 3i4m n GLU 359 Cb 0.79 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 3i4m n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3i4m s PHE 360 N -2.70 3.10 -1.38 -0.32 5.36 -1.14 -3.70 117.98 117.21 3i4m s PHE 360 Ca -0.09 1.23 -0.07 0.00 -0.96 0.00 0.00 56.93 57.04 3i4m s PHE 360 Cb 0.07 -3.39 0.07 0.00 -0.34 0.00 0.00 43.02 39.44 3i4m s PHE 360 CO 0.79 -1.14 0.18 -0.11 -1.46 0.00 0.00 175.22 173.49 3i4m n LEU 361 N 6.23 -0.75 -0.28 6.12 7.94 -1.26 -4.65 117.00 130.34 3i4m n LEU 361 Ca 0.13 -1.04 0.31 0.00 -1.11 0.00 0.00 56.01 54.29 3i4m n LEU 361 Cb 0.46 -1.31 0.48 0.00 0.53 0.00 0.00 43.42 43.57 3i4m n LEU 361 CO 0.54 0.27 1.26 -0.81 -1.11 0.00 0.00 177.39 177.55 3i4m n PRO 362 N -3.76 0.01 -0.52 1.96 -0.04 -1.24 -4.31 135.00 127.09 3i4m n PRO 362 Ca -0.14 1.00 -0.10 0.00 -0.04 0.00 0.00 63.50 64.23 3i4m n PRO 362 Cb 0.50 -2.47 0.07 0.00 -0.04 0.00 0.00 33.50 31.56 3i4m n PRO 362 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3i4m n HIS 363 N -3.29 -3.77 0.00 0.54 1.44 -1.26 -3.36 115.22 105.52 3i4m n HIS 363 Ca 0.26 -0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 3i4m n HIS 363 Cb 1.57 -0.34 0.00 0.00 0.12 0.00 0.00 29.99 31.34 3i4m n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3i4m n ILE 364 N -2.81 0.00 0.00 0.61 5.41 -1.26 -4.60 119.36 116.71 3i4m n ILE 364 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3i4m n ILE 364 Cb 0.19 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.12 3i4m n ILE 364 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 3i4m n THR 365 N 0.00 0.00 0.08 1.39 5.66 -1.21 -4.97 114.28 115.22 3i4m n THR 365 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 3i4m n THR 365 Cb 0.00 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 68.98 3i4m n THR 365 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i4m n GLN 366 N -0.44 2.39 0.00 1.09 6.02 -1.24 -4.74 117.38 120.46 3i4m n GLN 366 Ca 0.00 -2.17 0.00 0.00 -0.01 0.00 0.00 57.00 54.82 3i4m n GLN 366 Cb 0.00 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.83 3i4m n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i4m n LEU 367 N 1.19 0.00 0.00 1.08 4.77 -1.26 -4.22 117.00 118.55 3i4m n LEU 367 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3i4m n LEU 367 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i4m n LEU 367 CO 0.13 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.40 3i4m n GLU 368 N 0.00 0.00 -0.01 3.23 2.13 -1.26 -4.89 120.64 119.84 3i4m n GLU 368 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i4m n GLU 368 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 3i4m n GLU 368 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i4m n GLY 369 N -1.37 0.91 0.75 8.31 0.00 -1.26 -3.41 105.19 109.12 3i4m n GLY 369 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.04 3i4m n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4m n PHE 370 N 2.77 0.00 -0.38 1.61 3.01 -1.26 -4.82 117.46 118.39 3i4m n PHE 370 Ca 0.00 -0.48 0.30 0.00 1.01 0.00 0.00 57.45 58.28 3i4m n PHE 370 Cb 0.01 -0.12 0.57 0.00 -0.01 0.00 0.00 39.48 39.93 3i4m n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3i4m h GLU 371 N 0.42 0.23 -0.11 -1.08 3.07 -1.85 0.98 114.58 116.24 3i4m h GLU 371 Ca -0.07 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.64 3i4m h GLU 371 Cb 1.44 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.29 3i4m h GLU 371 CO 0.03 0.15 -0.54 0.66 -1.40 0.00 0.00 179.01 177.91 3i4m h SER 372 N 0.23 0.35 -0.01 1.42 4.64 -1.88 -1.11 113.55 117.20 3i4m h SER 372 Ca 0.72 -0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 61.68 3i4m h SER 372 Cb 2.04 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 64.04 3i4m h SER 372 CO -0.40 0.83 -0.68 0.03 -0.87 0.00 0.00 176.83 175.74 3i4m h ARG 373 N 0.25 0.47 0.42 4.77 3.08 0.60 -2.68 114.38 121.29 3i4m h ARG 373 Ca 0.00 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 3i4m h ARG 373 Cb 1.03 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3i4m h ARG 373 CO 0.09 1.14 -0.20 0.87 -1.07 0.00 0.00 179.97 180.80 3i4m h LYS 374 N -0.00 -0.54 -0.05 0.04 1.57 -1.16 -2.86 116.57 113.57 3i4m h LYS 374 Ca -0.08 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3i4m h LYS 374 Cb 1.38 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 3i4m h LYS 374 CO 0.13 -0.23 0.19 0.00 -0.57 0.00 0.00 179.45 178.97 3i4m h ALA 375 N -0.63 1.35 0.00 3.86 0.00 -1.34 0.36 119.26 122.86 3i4m h ALA 375 Ca -0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3i4m h ALA 375 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3i4m h ALA 375 CO 0.09 -0.22 -0.43 0.74 0.00 0.00 0.00 179.25 179.44 3i4m h PHE 376 N 0.00 0.00 0.00 0.00 -1.00 -1.38 -2.87 116.94 111.68 3i4m h PHE 376 Ca 0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 3i4m h PHE 376 Cb 0.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 3i4m h PHE 376 CO 0.00 0.24 -0.08 0.35 -1.61 0.00 0.00 178.31 177.21 3i4m h PHE 377 N 0.00 0.00 -1.18 -0.55 3.57 -0.12 -1.98 116.94 116.67 3i4m h PHE 377 Ca -0.02 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.86 3i4m h PHE 377 Cb 1.19 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.81 3i4m h PHE 377 CO 0.00 0.43 0.75 1.25 -2.23 0.00 0.00 178.31 178.51 3i4m h LEU 378 N -1.00 0.34 0.36 0.59 5.85 -1.22 2.29 115.31 122.52 3i4m h LEU 378 Ca -0.01 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3i4m h LEU 378 Cb 0.46 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3i4m h LEU 378 CO -0.01 -0.11 -0.17 1.23 -0.34 0.00 0.00 178.44 179.04 3i4m h GLY 379 N 0.20 -0.50 0.06 3.75 0.00 -1.55 0.44 103.07 105.47 3i4m h GLY 379 Ca 0.75 0.19 0.22 0.00 0.00 0.00 0.00 47.33 48.48 3i4m h GLY 379 CO -0.43 -0.18 0.76 -1.82 0.00 0.00 0.00 176.54 174.87 3i4m h TYR 380 N -0.80 0.00 0.05 5.60 3.20 0.45 0.50 116.97 125.96 3i4m h TYR 380 Ca -0.05 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.59 3i4m h TYR 380 Cb 0.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 3i4m h TYR 380 CO 0.02 0.00 -1.26 0.52 -1.64 0.00 0.00 178.16 175.80 3i4m h MET 381 N 0.00 0.10 -0.14 1.82 2.86 -0.42 -2.33 114.93 116.82 3i4m h MET 381 Ca 0.36 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3i4m h MET 381 Cb 1.87 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.59 3i4m h MET 381 CO -0.00 1.08 0.24 0.82 1.06 0.00 0.00 176.91 180.10 3i4m h ILE 382 N -0.68 0.26 0.00 -1.22 2.04 0.15 0.34 117.51 118.41 3i4m h ILE 382 Ca -0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3i4m h ILE 382 Cb 1.49 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3i4m h ILE 382 CO -0.08 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.87 3i4m n ASN 383 N -3.44 0.00 -0.29 1.72 5.15 0.15 -3.38 115.26 115.17 3i4m n ASN 383 Ca 0.01 0.34 0.24 0.00 -0.60 0.00 0.00 54.58 54.57 3i4m n ASN 383 Cb 0.34 -0.18 0.41 0.00 -0.53 0.00 0.00 39.78 39.81 3i4m n ASN 383 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3i4m n ARG 384 N -1.05 -0.02 0.00 1.20 5.12 -0.53 -0.83 116.66 120.55 3i4m n ARG 384 Ca 0.00 0.74 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 3i4m n ARG 384 Cb 0.00 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 3i4m n ARG 384 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3i4m n LEU 385 N -3.83 0.00 -0.49 0.55 7.94 0.11 -3.03 117.00 118.25 3i4m n LEU 385 Ca 0.24 0.41 0.41 0.00 -1.11 0.00 0.00 56.01 55.96 3i4m n LEU 385 Cb 0.95 0.00 0.72 0.00 0.53 0.00 0.00 43.42 45.61 3i4m n LEU 385 CO 0.12 0.00 1.34 -0.07 -1.11 0.00 0.00 177.39 177.66 3i4m h LEU 386 N 0.00 0.13 -1.80 -1.96 3.38 -0.99 0.20 115.31 114.26 3i4m h LEU 386 Ca 0.00 0.06 0.33 0.00 0.09 0.00 0.00 57.88 58.35 3i4m h LEU 386 Cb 0.00 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3i4m h LEU 386 CO 0.00 -0.06 0.94 -0.07 0.09 0.00 0.00 178.44 179.34 3i4m h LEU 387 N 0.06 0.00 0.00 1.67 4.07 -1.13 -2.11 115.31 117.87 3i4m h LEU 387 Ca 0.78 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.58 3i4m h LEU 387 Cb 2.81 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 44.52 3i4m h LEU 387 CO -0.19 0.00 -1.61 0.00 -1.08 0.00 0.00 178.44 175.57 3i4m h ALA 389 N 0.27 2.71 -2.82 0.00 0.00 -1.25 -1.41 119.26 116.76 3i4m h ALA 389 Ca -0.24 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 53.90 3i4m h ALA 389 Cb 1.48 0.06 -0.30 0.00 0.00 0.00 0.00 17.79 19.04 3i4m h ALA 389 CO -0.01 -1.11 -0.22 -0.51 0.00 0.00 0.00 179.25 177.40 3i4m s LEU 390 N -7.99 5.94 -0.67 0.00 1.43 -0.90 -4.97 118.68 111.52 3i4m s LEU 390 Ca -0.05 -2.43 -0.06 0.00 -1.03 0.00 0.00 54.13 50.56 3i4m s LEU 390 Cb 0.19 -2.04 -0.23 0.00 0.03 0.00 0.00 46.19 44.14 3i4m s LEU 390 CO 0.69 -0.57 1.51 0.47 0.23 0.00 0.00 176.35 178.68 3i4m n ASP 391 N 4.21 -1.12 0.00 2.29 9.92 -0.53 -4.33 116.55 126.99 3i4m n ASP 391 Ca 0.03 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 3i4m n ASP 391 Cb 0.42 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 3i4m n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3i4m n ARG 392 N 3.99 0.54 -3.73 -1.24 1.74 -1.22 -5.04 116.66 111.71 3i4m n ARG 392 Ca 0.46 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.27 3i4m n ARG 392 Cb 0.13 -0.64 -0.17 0.00 -1.02 0.00 0.00 32.46 30.76 3i4m n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i4m s LYS 393 N -1.28 0.60 0.78 5.56 -0.14 -1.05 -4.99 119.74 119.23 3i4m s LYS 393 Ca 0.00 -0.35 -0.17 0.00 -1.36 0.00 0.00 55.97 54.09 3i4m s LYS 393 Cb 0.00 -1.99 -0.15 0.00 -1.68 0.00 0.00 37.83 34.01 3i4m s LYS 393 CO 0.00 -0.61 -0.48 -0.25 -0.76 0.00 0.00 175.35 173.24 3i4m n ASP 394 N 5.08 -4.92 -4.75 2.83 8.00 -1.26 -4.36 116.55 117.17 3i4m n ASP 394 Ca -0.09 0.39 -0.38 0.00 0.71 0.00 0.00 54.79 55.43 3i4m n ASP 394 Cb 0.48 -0.81 0.04 0.00 -0.02 0.00 0.00 41.12 40.81 3i4m n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3i4m s GLN 395 N -1.60 3.11 0.13 -1.24 0.74 -1.26 -4.86 119.66 114.68 3i4m s GLN 395 Ca 0.48 2.20 -0.31 0.00 0.05 0.00 0.00 55.36 57.77 3i4m s GLN 395 Cb -0.32 -2.22 -0.10 0.00 1.10 0.00 0.00 33.01 31.47 3i4m s GLN 395 CO 0.75 -1.20 1.76 -0.51 -0.55 0.00 0.00 175.29 175.54 3i4m s ASP 396 N -1.02 6.47 -0.30 6.67 1.01 0.11 -4.91 116.67 124.70 3i4m s ASP 396 Ca 0.72 2.71 -0.29 0.00 0.71 0.00 0.00 52.55 56.40 3i4m s ASP 396 Cb -0.40 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 40.95 3i4m s ASP 396 CO 0.46 -0.96 1.65 -0.62 0.21 0.00 0.00 175.17 175.91 3i4m s ASP 397 N 2.32 6.18 0.00 0.27 -1.08 -1.26 -4.85 116.67 118.24 3i4m s ASP 397 Ca 0.78 1.35 0.13 0.00 -0.52 0.00 0.00 52.55 54.29 3i4m s ASP 397 Cb -0.45 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.12 3i4m s ASP 397 CO 0.34 -1.47 1.36 0.54 0.52 0.00 0.00 175.17 176.47 3i4m n ARG 398 N 8.04 0.15 -1.03 4.34 1.74 -1.26 -3.23 116.66 125.41 3i4m n ARG 398 Ca 0.20 0.18 -0.07 0.00 -0.77 0.00 0.00 57.85 57.40 3i4m n ARG 398 Cb 0.46 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.56 3i4m n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i4m n ASP 399 N -1.33 3.01 -4.52 0.55 8.00 -1.26 -4.95 116.55 116.06 3i4m n ASP 399 Ca 0.06 -3.82 -0.42 0.00 0.71 0.00 0.00 54.79 51.31 3i4m n ASP 399 Cb 0.12 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 3i4m n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i4m s HIS 400 N -3.36 2.52 0.58 1.24 2.46 -1.20 -4.82 115.29 112.72 3i4m s HIS 400 Ca 0.45 -0.17 0.31 0.00 0.47 0.00 0.00 55.06 56.12 3i4m s HIS 400 Cb 0.40 -4.42 1.36 0.00 -0.13 0.00 0.00 32.58 29.79 3i4m s HIS 400 CO -0.02 -1.78 1.70 0.35 -2.47 0.00 0.00 174.74 172.53 3i4m h PHE 401 N 9.72 0.00 0.00 3.88 3.57 -1.92 1.35 116.94 133.54 3i4m h PHE 401 Ca -0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 3i4m h PHE 401 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3i4m h PHE 401 CO 1.03 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.52 3i4m n GLY 402 N -1.64 -0.78 0.46 2.40 0.00 -1.26 -1.97 105.19 102.40 3i4m n GLY 402 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.13 3i4m n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i4m n LYS 403 N -1.11 2.87 -4.27 1.61 5.02 0.46 -4.46 118.16 118.27 3i4m n LYS 403 Ca 0.13 -1.97 -0.26 0.00 -2.02 0.00 0.00 58.31 54.19 3i4m n LYS 403 Cb 0.11 -1.24 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 3i4m n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i4m s LYS 404 N -1.18 2.16 0.03 1.97 1.02 -0.83 -0.72 119.74 122.18 3i4m s LYS 404 Ca 0.18 -1.24 0.03 0.00 0.02 0.00 0.00 55.97 54.96 3i4m s LYS 404 Cb 0.11 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 3i4m s LYS 404 CO 0.10 0.43 -0.10 1.03 -0.92 0.00 0.00 175.35 175.89 3i4m s ARG 405 N -2.93 0.71 -0.53 1.68 1.81 0.18 -4.66 118.95 115.22 3i4m s ARG 405 Ca 0.26 -0.61 -0.02 0.00 -1.72 0.00 0.00 55.73 53.64 3i4m s ARG 405 Cb -0.09 -0.65 0.14 0.00 -0.45 0.00 0.00 34.95 33.90 3i4m s ARG 405 CO 0.16 0.16 0.32 -0.51 -0.68 0.00 0.00 175.30 174.75 3i4m s LEU 406 N -0.98 5.11 -0.21 2.53 1.43 -0.82 -0.74 118.68 125.00 3i4m s LEU 406 Ca -0.01 -2.57 -0.30 0.00 -1.03 0.00 0.00 54.13 50.21 3i4m s LEU 406 Cb -0.07 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 3i4m s LEU 406 CO 0.01 -0.41 2.18 0.47 0.23 0.00 0.00 176.35 178.82 3i4m n ASP 407 N 3.84 3.17 -1.93 2.29 8.00 -0.17 -4.74 116.55 127.00 3i4m n ASP 407 Ca 0.04 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3i4m n ASP 407 Cb 0.38 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 3i4m n ASP 407 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i4m n LEU 408 N 10.72 0.00 0.00 0.64 7.94 -1.26 -2.40 117.00 132.64 3i4m n LEU 408 Ca 0.31 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 3i4m n LEU 408 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 3i4m n LEU 408 CO 0.68 -0.36 0.09 0.00 -1.11 0.00 0.00 177.39 176.69 3i4m n ALA 409 N -3.00 0.00 -0.15 1.96 0.00 -1.26 -2.50 120.51 115.56 3i4m n ALA 409 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3i4m n ALA 409 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.56 3i4m n ALA 409 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i4m h GLY 410 N 0.00 0.18 -0.92 0.00 0.00 -1.86 -1.79 103.07 98.68 3i4m h GLY 410 Ca 0.00 0.25 0.27 0.00 0.00 0.00 0.00 47.33 47.85 3i4m h GLY 410 CO 0.00 -0.21 0.08 -1.05 0.00 0.00 0.00 176.54 175.37 3i4m n PRO 411 N -5.39 -0.07 0.45 4.80 -0.02 -1.18 0.95 135.00 134.53 3i4m n PRO 411 Ca 0.04 1.36 -0.19 0.00 -2.02 0.00 0.00 63.50 62.69 3i4m n PRO 411 Cb 0.30 -2.20 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 3i4m n PRO 411 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i4m h LEU 412 N 0.00 -0.96 -0.94 2.45 3.38 -1.02 -2.75 115.31 115.47 3i4m h LEU 412 Ca 0.59 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.86 3i4m h LEU 412 Cb 1.28 0.25 -0.16 0.00 0.09 0.00 0.00 40.66 42.11 3i4m h LEU 412 CO -0.84 -0.67 0.19 -0.07 0.09 0.00 0.00 178.44 177.14 3i4m h LEU 413 N -1.16 -0.16 -0.33 1.67 3.38 0.79 0.26 115.31 119.75 3i4m h LEU 413 Ca -0.12 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3i4m h LEU 413 Cb 0.87 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 3i4m h LEU 413 CO 0.19 -0.28 -0.44 0.00 0.09 0.00 0.00 178.44 178.00 3i4m h ALA 414 N 1.90 -0.51 -0.85 1.53 0.00 -0.43 0.26 119.26 121.16 3i4m h ALA 414 Ca 0.61 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.78 3i4m h ALA 414 Cb 1.32 0.89 -0.14 0.00 0.00 0.00 0.00 17.79 19.87 3i4m h ALA 414 CO -0.79 -0.90 0.17 0.37 0.00 0.00 0.00 179.25 178.10 3i4m h GLN 415 N -0.38 0.17 0.20 0.00 4.15 -0.45 0.51 115.11 119.32 3i4m h GLN 415 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3i4m h GLN 415 Cb 0.60 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3i4m h GLN 415 CO -0.53 0.11 -0.10 -0.07 -1.93 0.00 0.00 178.83 176.32 3i4m h LEU 416 N 0.18 -0.23 -0.92 -2.39 3.38 -0.38 0.25 115.31 115.19 3i4m h LEU 416 Ca 0.51 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.76 3i4m h LEU 416 Cb 1.00 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 3i4m h LEU 416 CO -0.66 -0.15 0.22 0.15 0.09 0.00 0.00 178.44 178.09 3i4m h PHE 417 N -0.31 0.31 0.58 1.13 3.57 -0.29 0.70 116.94 122.63 3i4m h PHE 417 Ca -0.03 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3i4m h PHE 417 Cb 0.21 0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.97 3i4m h PHE 417 CO 0.15 -0.30 -0.28 -0.22 -2.23 0.00 0.00 178.31 175.44 3i4m h LYS 418 N 0.13 -0.75 0.00 1.11 3.64 -0.89 1.96 116.57 121.79 3i4m h LYS 418 Ca 0.60 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 3i4m h LYS 418 Cb 1.28 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 3i4m h LYS 418 CO -0.74 -0.50 0.13 1.15 -2.27 0.00 0.00 179.45 177.23 3i4m h THR 419 N -0.95 0.00 0.00 1.00 2.02 0.12 -2.17 112.91 112.93 3i4m h THR 419 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3i4m h THR 419 Cb 0.59 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3i4m h THR 419 CO 0.13 0.00 -0.44 0.18 0.37 0.00 0.00 175.52 175.76 3i4m n LEU 420 N -2.84 1.51 -0.28 2.58 4.77 0.23 -3.76 117.00 119.20 3i4m n LEU 420 Ca -0.02 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 3i4m n LEU 420 Cb 0.19 -0.81 0.19 0.00 -2.33 0.00 0.00 43.42 40.66 3i4m n LEU 420 CO 0.15 -0.48 0.81 0.15 -1.33 0.00 0.00 177.39 176.70 3i4m h PHE 421 N -0.83 -0.06 -0.25 -1.77 3.57 0.33 0.33 116.94 118.26 3i4m h PHE 421 Ca 0.00 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3i4m h PHE 421 Cb 0.44 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3i4m h PHE 421 CO -0.19 -0.29 -0.15 0.87 -2.23 0.00 0.00 178.31 176.32 3i4m h LYS 422 N 0.08 0.42 0.00 1.11 1.57 -1.59 0.42 116.57 118.59 3i4m h LYS 422 Ca 0.47 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 3i4m h LYS 422 Cb 0.86 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3i4m h LYS 422 CO -0.74 0.57 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.36 3i4m h LYS 423 N 0.39 0.00 0.04 3.15 3.64 -0.47 -2.04 116.57 121.27 3i4m h LYS 423 Ca 0.07 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.12 3i4m h LYS 423 Cb 0.49 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 3i4m h LYS 423 CO 0.03 0.12 -1.98 -0.11 -2.27 0.00 0.00 179.45 175.24 3i4m n LEU 424 N -3.40 1.48 -0.37 5.20 7.94 -0.65 -3.78 117.00 123.42 3i4m n LEU 424 Ca -0.01 0.23 0.03 0.00 -1.11 0.00 0.00 56.01 55.16 3i4m n LEU 424 Cb 0.30 -0.28 0.18 0.00 0.53 0.00 0.00 43.42 44.15 3i4m n LEU 424 CO 0.30 0.60 1.26 0.74 -1.11 0.00 0.00 177.39 179.17 3i4m h THR 425 N 0.02 1.06 0.00 1.96 2.02 0.25 -0.99 112.91 117.23 3i4m h THR 425 Ca -0.40 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.27 3i4m h THR 425 Cb 2.05 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3i4m h THR 425 CO 0.06 0.21 -0.59 0.07 0.37 0.00 0.00 175.52 175.64 3i4m h LYS 426 N 1.14 0.00 -0.97 6.66 2.10 -1.55 -3.15 116.57 120.80 3i4m h LYS 426 Ca 0.44 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 59.13 3i4m h LYS 426 Cb 0.22 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.49 3i4m h LYS 426 CO -0.19 0.59 0.63 -0.44 -2.00 0.00 0.00 179.45 178.04 3i4m h ASP 427 N 0.00 1.05 -0.33 7.07 3.32 -1.28 -1.00 116.42 125.25 3i4m h ASP 427 Ca -0.01 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.13 3i4m h ASP 427 Cb 1.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3i4m h ASP 427 CO 0.08 0.71 0.33 0.40 -1.72 0.00 0.00 179.24 179.03 3i4m h ILE 428 N 1.22 0.49 -0.43 0.35 2.04 -1.47 -0.53 117.51 119.19 3i4m h ILE 428 Ca 0.39 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.16 3i4m h ILE 428 Cb 0.02 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3i4m h ILE 428 CO -0.13 0.00 -0.08 -0.26 0.00 0.00 0.00 178.15 177.68 3i4m h PHE 429 N 0.00 0.91 0.00 1.37 -1.00 -1.33 -2.37 116.94 114.52 3i4m h PHE 429 Ca 0.16 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3i4m h PHE 429 Cb 0.81 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.14 3i4m h PHE 429 CO 0.00 0.92 0.00 0.00 -1.61 0.00 0.00 178.31 177.62 3i4m h ARG 430 N 0.64 0.00 0.15 1.51 3.08 -1.15 0.43 114.38 119.05 3i4m h ARG 430 Ca 0.11 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.80 3i4m h ARG 430 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3i4m h ARG 430 CO 0.04 0.00 -1.88 -0.92 -1.07 0.00 0.00 179.97 176.14 3i4m h TYR 431 N 0.00 0.58 0.17 3.04 3.20 -1.41 -3.33 116.97 119.22 3i4m h TYR 431 Ca 0.00 -0.42 -0.25 0.00 3.14 0.00 0.00 58.73 61.20 3i4m h TYR 431 Cb 0.15 -0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.42 3i4m h TYR 431 CO 0.00 1.74 -1.13 0.52 -1.64 0.00 0.00 178.16 177.65 3i4m h MET 432 N 0.07 0.36 0.00 1.82 2.86 -0.94 -2.60 114.93 116.50 3i4m h MET 432 Ca -0.39 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 56.64 3i4m h MET 432 Cb 2.05 0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.94 3i4m h MET 432 CO 0.12 1.29 0.00 1.04 1.06 0.00 0.00 176.91 180.43 3i4m n GLN 433 N -3.96 0.01 -0.02 1.72 6.02 0.15 -1.16 117.38 120.14 3i4m n GLN 433 Ca -0.17 0.49 0.04 0.00 -0.01 0.00 0.00 57.00 57.34 3i4m n GLN 433 Cb 0.92 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 30.55 3i4m n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i4m n ARG 434 N -1.57 0.74 -1.84 -1.09 1.74 -1.23 -4.85 116.66 108.56 3i4m n ARG 434 Ca 0.00 -0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.78 3i4m n ARG 434 Cb 0.02 -1.28 -0.09 0.00 -1.02 0.00 0.00 32.46 30.10 3i4m n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i4m s THR 435 N -2.70 3.29 -1.39 0.55 2.01 -0.31 -4.66 115.64 112.43 3i4m s THR 435 Ca -0.05 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.52 3i4m s THR 435 Cb 0.07 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.40 3i4m s THR 435 CO 0.48 -0.53 0.95 0.52 -0.69 0.00 0.00 174.62 175.36 3i4m n VAL 436 N 8.41 1.08 0.00 3.82 0.31 -1.26 -5.01 118.33 125.68 3i4m n VAL 436 Ca 0.43 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 65.03 3i4m n VAL 436 Cb 0.47 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 3i4m n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4m n GLU 437 N -1.31 0.00 -1.36 5.55 1.02 -1.26 -5.25 120.64 118.03 3i4m n GLU 437 Ca 0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.92 3i4m n GLU 437 Cb 0.03 -0.23 -0.06 0.00 -0.02 0.00 0.00 31.44 31.17 3i4m n GLU 437 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3i4m n LEU 446 N 0.00 6.34 0.00 -4.62 -0.00 -1.26 -5.28 117.00 112.18 3i4m n LEU 446 Ca 0.00 -3.86 0.00 0.00 -0.00 0.00 0.00 56.01 52.15 3i4m n LEU 446 Cb 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.19 3i4m n LEU 446 CO 0.00 1.66 0.00 0.00 -0.00 0.00 0.00 177.39 179.05 3i4m n ALA 447 N 0.98 0.00 -3.87 1.47 0.00 -1.26 -5.01 120.51 112.82 3i4m n ALA 447 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 3i4m n ALA 447 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 3i4m n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i4m s ILE 448 N -2.73 2.98 -0.10 0.00 1.01 -1.26 -4.72 121.20 116.37 3i4m s ILE 448 Ca 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 60.65 57.60 3i4m s ILE 448 Cb 0.00 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.34 3i4m s ILE 448 CO 0.00 -0.80 1.84 -3.20 0.00 0.00 0.00 174.94 172.78 3i4m n ASN 449 N 3.44 2.46 0.00 3.58 5.15 -1.26 -4.70 115.26 123.93 3i4m n ASN 449 Ca 0.05 -1.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.07 3i4m n ASN 449 Cb 0.36 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 3i4m n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i4m n ALA 450 N 3.02 0.00 -0.19 5.20 0.00 -1.26 0.11 120.51 127.39 3i4m n ALA 450 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.67 3i4m n ALA 450 Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.86 3i4m n ALA 450 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i4m n LYS 451 N -3.12 -0.07 0.00 0.00 4.81 -1.26 -1.00 118.16 117.52 3i4m n LYS 451 Ca 0.00 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3i4m n LYS 451 Cb 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.84 3i4m n LYS 451 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i4m n THR 452 N -4.83 0.00 0.33 3.15 -1.04 0.31 -0.17 114.28 112.02 3i4m n THR 452 Ca 0.08 0.96 -0.14 0.00 -2.04 0.00 0.00 64.05 62.90 3i4m n THR 452 Cb 0.25 -1.30 -0.07 0.00 -1.82 0.00 0.00 70.33 67.39 3i4m n THR 452 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3i4m h ILE 453 N 0.00 0.09 -0.49 12.58 2.04 -1.30 -0.08 117.51 130.35 3i4m h ILE 453 Ca 0.00 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3i4m h ILE 453 Cb 0.00 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.15 3i4m h ILE 453 CO 0.00 0.01 -0.29 0.41 0.00 0.00 0.00 178.15 178.29 3i4m n THR 454 N -5.37 -0.33 0.15 -0.27 -1.04 -0.84 -1.05 114.28 105.52 3i4m n THR 454 Ca -0.12 1.35 -0.12 0.00 -2.04 0.00 0.00 64.05 63.12 3i4m n THR 454 Cb 0.36 -1.69 -0.07 0.00 -1.82 0.00 0.00 70.33 67.11 3i4m n THR 454 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3i4m h SER 455 N 0.00 -0.35 -0.12 8.00 4.64 -0.64 -3.30 113.55 121.78 3i4m h SER 455 Ca 0.08 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3i4m h SER 455 Cb 0.20 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3i4m h SER 455 CO -0.46 0.08 -0.06 0.61 -0.87 0.00 0.00 176.83 176.13 3i4m n GLY 456 N 0.01 -0.28 0.39 -0.77 0.00 -0.04 0.24 105.19 104.74 3i4m n GLY 456 Ca -0.09 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 3i4m n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i4m h LEU 457 N 0.00 -0.81 -0.03 0.99 3.38 -1.56 -3.10 115.31 114.17 3i4m h LEU 457 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i4m h LEU 457 Cb 0.06 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i4m h LEU 457 CO -0.11 -0.57 -0.03 0.11 0.09 0.00 0.00 178.44 177.93 3i4m h LYS 458 N -0.98 -0.01 -0.44 1.13 1.57 0.30 -0.39 116.57 117.75 3i4m h LYS 458 Ca -0.10 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3i4m h LYS 458 Cb 0.74 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 3i4m h LYS 458 CO 0.16 -0.01 -0.09 0.98 -0.57 0.00 0.00 179.45 179.93 3i4m n TYR 459 N -2.99 0.18 0.08 -1.35 9.36 -0.55 -0.16 117.16 121.74 3i4m n TYR 459 Ca -0.00 0.54 -0.03 0.00 3.32 0.00 0.00 57.90 61.72 3i4m n TYR 459 Cb 0.01 -0.77 -0.02 0.00 -0.63 0.00 0.00 39.34 37.94 3i4m n TYR 459 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i4m h ALA 460 N 0.88 -0.85 0.00 2.98 0.00 -1.02 -2.30 119.26 118.95 3i4m h ALA 460 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i4m h ALA 460 Cb 0.36 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i4m h ALA 460 CO -0.45 -0.83 0.35 -0.07 0.00 0.00 0.00 179.25 178.25 3i4m h LEU 461 N -0.26 0.00 0.10 0.00 4.07 0.28 0.53 115.31 120.02 3i4m h LEU 461 Ca -0.02 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 3i4m h LEU 461 Cb 0.17 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.92 3i4m h LEU 461 CO 0.04 0.00 -0.79 0.00 -1.08 0.00 0.00 178.44 176.61 3i4m h ALA 462 N 1.26 0.00 -0.19 1.53 0.00 -0.67 -3.43 119.26 117.76 3i4m h ALA 462 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3i4m h ALA 462 Cb 0.70 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i4m h ALA 462 CO 0.00 0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.90 3i4m n THR 463 N -4.21 0.00 0.00 0.00 -2.24 -0.49 -5.05 114.28 102.29 3i4m n THR 463 Ca -0.16 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3i4m n THR 463 Cb 0.76 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 3i4m n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4m n GLY 464 N 1.71 0.63 2.87 3.38 0.00 0.17 -4.81 105.19 109.15 3i4m n GLY 464 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i4m n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i4m s ASN 465 N -1.08 4.11 -0.88 1.61 0.02 -1.25 -0.88 114.94 116.59 3i4m s ASN 465 Ca 0.00 -2.92 -0.27 0.00 -1.02 0.00 0.00 52.86 48.64 3i4m s ASN 465 Cb 0.00 -1.45 -0.26 0.00 0.02 0.00 0.00 41.25 39.56 3i4m s ASN 465 CO 0.00 -0.24 2.00 0.79 0.02 0.00 0.00 177.10 179.68 3i4m n TRP 466 N 3.20 0.83 0.00 2.20 5.03 -1.26 -4.28 117.44 123.17 3i4m n TRP 466 Ca 0.07 -0.31 0.00 0.00 3.03 0.00 0.00 57.50 60.28 3i4m n TRP 466 Cb 0.33 -2.25 0.00 0.00 -1.03 0.00 0.00 31.31 28.36 3i4m n TRP 466 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3i4m n GLY 467 N 5.88 -1.54 0.56 6.99 0.00 -1.26 -4.31 105.19 111.51 3i4m n GLY 467 Ca 0.42 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.23 3i4m n GLY 467 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 468 N 0.00 0.00 0.00 1.61 4.71 -1.26 -4.58 120.64 121.12 3i4m n GLU 468 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i4m n GLU 468 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3i4m n GLU 468 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i4m n GLN 469 N 0.00 0.00 0.00 3.49 10.64 -1.26 -4.86 117.38 125.39 3i4m n GLN 469 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3i4m n GLN 469 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3i4m n GLN 469 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3i4m n LYS 470 N 0.00 0.00 -1.78 2.61 5.02 -1.26 -3.61 118.16 119.13 3i4m n LYS 470 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3i4m n LYS 470 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 3i4m n LYS 470 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i4m n LYS 471 N 5.34 3.25 -3.91 1.97 5.02 -1.26 -5.03 118.16 123.54 3i4m n LYS 471 Ca 0.00 -3.84 0.03 0.00 -2.02 0.00 0.00 58.31 52.47 3i4m n LYS 471 Cb 0.00 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 32.74 3i4m n LYS 471 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4m s ALA 472 N -3.69 -2.44 -1.57 7.82 0.00 -1.24 -5.04 121.76 115.60 3i4m s ALA 472 Ca 0.56 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 3i4m s ALA 472 Cb 0.45 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 24.30 3i4m s ALA 472 CO 0.00 -1.13 2.78 0.00 0.00 0.00 0.00 175.76 177.41 3i4m n MET 473 N -0.82 3.62 -0.52 0.00 0.00 -1.26 -4.70 117.12 113.43 3i4m n MET 473 Ca 0.01 -2.38 -0.06 0.00 0.00 0.00 0.00 57.70 55.26 3i4m n MET 473 Cb 0.60 -2.88 0.02 0.00 0.00 0.00 0.00 33.22 30.96 3i4m n MET 473 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3i4m n SER 474 N 3.91 4.85 -2.06 3.17 3.41 -1.26 -4.85 113.62 120.78 3i4m n SER 474 Ca 0.72 -2.56 -0.07 0.00 -0.26 0.00 0.00 58.87 56.70 3i4m n SER 474 Cb 0.26 -0.90 -0.00 0.00 -0.26 0.00 0.00 64.21 63.31 3i4m n SER 474 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i4m n SER 475 N 0.69 -1.03 -3.23 4.04 3.41 -1.26 -4.52 113.62 111.71 3i4m n SER 475 Ca 0.13 -1.98 -0.34 0.00 -0.26 0.00 0.00 58.87 56.42 3i4m n SER 475 Cb 0.61 1.80 -0.01 0.00 -0.26 0.00 0.00 64.21 66.35 3i4m n SER 475 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i4m n ARG 476 N -0.31 4.23 -1.74 4.33 1.74 -1.26 -4.88 116.66 118.77 3i4m n ARG 476 Ca -0.02 -4.70 -0.66 0.00 -0.77 0.00 0.00 57.85 51.70 3i4m n ARG 476 Cb 0.33 -2.35 -0.09 0.00 -1.02 0.00 0.00 32.46 29.33 3i4m n ARG 476 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i4m n ALA 477 N -0.19 -1.08 0.00 7.54 0.00 -1.16 -3.37 120.51 122.25 3i4m n ALA 477 Ca 0.40 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.31 3i4m n ALA 477 Cb 0.34 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3i4m n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4m n GLY 478 N 4.08 0.39 3.93 0.00 0.00 -0.06 -4.97 105.19 108.56 3i4m n GLY 478 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 3i4m n GLY 478 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4m s VAL 479 N 0.00 2.03 0.00 1.61 1.01 -1.16 -4.67 120.40 119.22 3i4m s VAL 479 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3i4m s VAL 479 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3i4m s VAL 479 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.86 3i4m n SER 480 N -3.54 -6.62 0.00 3.32 2.88 -1.25 -4.32 113.62 104.10 3i4m n SER 480 Ca 0.13 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 3i4m n SER 480 Cb 0.60 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3i4m n SER 480 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i4m n GLN 481 N 1.61 3.27 -3.48 -1.46 6.02 -0.77 -4.39 117.38 118.20 3i4m n GLN 481 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 3i4m n GLN 481 Cb 0.34 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.48 3i4m n GLN 481 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3i4m s VAL 482 N 4.37 -0.16 0.00 5.09 -7.23 -1.26 -2.39 120.40 118.82 3i4m s VAL 482 Ca 0.00 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 3i4m s VAL 482 Cb 0.00 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.96 3i4m s VAL 482 CO 0.00 -0.68 0.00 -0.11 -0.31 0.00 0.00 175.10 174.00 3i4m n LEU 483 N 5.04 0.00 -4.76 1.32 7.94 -0.45 -4.85 117.00 121.25 3i4m n LEU 483 Ca -0.01 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.49 3i4m n LEU 483 Cb 0.43 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.34 3i4m n LEU 483 CO 0.05 0.00 0.79 0.20 -1.11 0.00 0.00 177.39 177.32 3i4m s ASN 484 N 0.00 7.24 -0.31 1.96 -0.87 -1.26 -4.95 114.94 116.74 3i4m s ASN 484 Ca 0.00 2.27 0.17 0.00 -1.57 0.00 0.00 52.86 53.73 3i4m s ASN 484 Cb 0.00 -2.63 0.47 0.00 -0.02 0.00 0.00 41.25 39.08 3i4m s ASN 484 CO 0.00 -0.17 1.05 0.54 -2.57 0.00 0.00 177.10 175.96 3i4m n ARG 485 N 1.13 1.90 -0.10 -0.60 3.00 -1.26 -4.13 116.66 116.61 3i4m n ARG 485 Ca -0.01 -3.60 -0.16 0.00 -0.01 0.00 0.00 57.85 54.07 3i4m n ARG 485 Cb 0.45 -1.61 -0.07 0.00 0.00 0.00 0.00 32.46 31.23 3i4m n ARG 485 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i4m n TYR 486 N -0.37 0.83 -4.25 -1.55 0.53 -1.26 -4.80 117.16 106.29 3i4m n TYR 486 Ca 0.16 0.36 -0.14 0.00 -1.02 0.00 0.00 57.90 57.26 3i4m n TYR 486 Cb 0.81 -0.95 -0.10 0.00 -1.03 0.00 0.00 39.34 38.07 3i4m n TYR 486 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 3i4m s THR 487 N -2.37 0.25 -0.00 -0.72 2.01 -1.26 -3.82 115.64 109.73 3i4m s THR 487 Ca -0.25 -2.00 -0.23 0.00 0.31 0.00 0.00 61.69 59.52 3i4m s THR 487 Cb 0.05 -2.56 -0.13 0.00 0.01 0.00 0.00 72.50 69.87 3i4m s THR 487 CO 0.45 0.00 0.96 0.22 -0.69 0.00 0.00 174.62 175.56 3i4m h TYR 488 N 2.51 -0.77 -0.82 4.92 3.20 -1.81 -1.37 116.97 122.83 3i4m h TYR 488 Ca -0.37 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.65 3i4m h TYR 488 Cb 1.25 0.25 -0.10 0.00 1.54 0.00 0.00 36.73 39.67 3i4m h TYR 488 CO 0.41 -0.47 0.35 0.66 -1.64 0.00 0.00 178.16 177.47 3i4m h SER 489 N -1.22 0.34 -0.53 -2.11 4.64 -1.87 0.25 113.55 113.05 3i4m h SER 489 Ca -0.08 0.12 0.10 0.00 -0.47 0.00 0.00 61.79 61.46 3i4m h SER 489 Cb 0.64 0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 62.71 3i4m h SER 489 CO 0.14 0.10 -0.22 -1.28 -0.87 0.00 0.00 176.83 174.70 3i4m h SER 490 N 0.47 -0.76 -0.28 4.97 0.87 -1.79 0.24 113.55 117.27 3i4m h SER 490 Ca 0.46 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 61.16 3i4m h SER 490 Cb 0.75 0.42 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 3i4m h SER 490 CO -0.43 -0.24 0.03 0.74 -0.53 0.00 0.00 176.83 176.39 3i4m h THR 491 N -0.09 1.20 0.27 2.23 2.02 0.62 -3.03 112.91 116.14 3i4m h THR 491 Ca 0.24 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3i4m h THR 491 Cb 0.47 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3i4m h THR 491 CO -0.59 0.27 -0.13 -0.07 0.37 0.00 0.00 175.52 175.37 3i4m h LEU 492 N 0.56 -0.31 -1.33 2.58 3.38 -0.10 -2.82 115.31 117.27 3i4m h LEU 492 Ca 0.12 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.53 3i4m h LEU 492 Cb 0.32 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 3i4m h LEU 492 CO 0.01 -0.09 0.90 -0.24 0.09 0.00 0.00 178.44 179.11 3i4m n SER 493 N -3.74 0.12 0.01 -0.43 2.88 -0.04 0.17 113.62 112.60 3i4m n SER 493 Ca -0.05 1.07 -0.18 0.00 -1.33 0.00 0.00 58.87 58.38 3i4m n SER 493 Cb 0.15 -0.53 -0.12 0.00 -0.75 0.00 0.00 64.21 62.96 3i4m n SER 493 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3i4m h HIS 494 N 0.00 0.56 -0.65 0.66 -0.00 -1.52 -3.26 115.15 110.94 3i4m h HIS 494 Ca 0.76 -0.32 0.13 0.00 -0.00 0.00 0.00 60.37 60.94 3i4m h HIS 494 Cb 2.66 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 29.98 3i4m h HIS 494 CO -0.00 1.16 0.44 -0.07 -0.00 0.00 0.00 177.93 179.46 3i4m h LEU 495 N -0.20 0.31 -6.97 0.26 3.38 0.21 -2.95 115.31 109.34 3i4m h LEU 495 Ca -0.08 0.01 -0.71 0.00 0.09 0.00 0.00 57.88 57.19 3i4m h LEU 495 Cb 1.35 -0.05 -0.35 0.00 0.09 0.00 0.00 40.66 41.70 3i4m h LEU 495 CO 0.12 0.17 0.01 -2.11 0.09 0.00 0.00 178.44 176.72 3i4m n ARG 496 N -4.46 3.05 -4.26 1.13 1.85 -0.91 -4.89 116.66 108.17 3i4m n ARG 496 Ca 0.12 -4.54 -0.14 0.00 -1.00 0.00 0.00 57.85 52.28 3i4m n ARG 496 Cb 0.48 -2.40 -0.10 0.00 -1.05 0.00 0.00 32.46 29.39 3i4m n ARG 496 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3i4m s ARG 497 N -1.96 1.14 -0.07 2.89 3.52 -1.12 -3.34 118.95 120.01 3i4m s ARG 497 Ca 0.31 -1.53 -0.02 0.00 -0.13 0.00 0.00 55.73 54.36 3i4m s ARG 497 Cb 0.01 -0.47 0.03 0.00 -1.56 0.00 0.00 34.95 32.97 3i4m s ARG 497 CO -0.05 -0.05 0.05 0.99 -0.81 0.00 0.00 175.30 175.43 3i4m s THR 498 N -3.49 0.01 -0.22 4.11 2.01 0.53 -3.32 115.64 115.27 3i4m s THR 498 Ca 0.22 0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 3i4m s THR 498 Cb 0.05 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 3i4m s THR 498 CO 0.04 0.12 0.28 0.21 -0.69 0.00 0.00 174.62 174.57 3i4m s ASN 499 N 2.12 6.28 -0.26 3.53 2.47 0.22 0.38 114.94 129.68 3i4m s ASN 499 Ca 0.04 0.32 0.03 0.00 0.42 0.00 0.00 52.86 53.68 3i4m s ASN 499 Cb -0.13 -2.17 0.06 0.00 -1.45 0.00 0.00 41.25 37.57 3i4m s ASN 499 CO -0.04 0.01 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.35 3i4m s THR 500 N 1.11 2.12 1.03 -5.21 2.01 -0.96 -2.08 115.64 113.67 3i4m s THR 500 Ca 0.13 -1.63 -0.20 0.00 0.31 0.00 0.00 61.69 60.31 3i4m s THR 500 Cb -0.14 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 3i4m s THR 500 CO 0.06 -0.06 -0.52 -0.81 -0.69 0.00 0.00 174.62 172.60 3i4m n PRO 501 N 4.44 -0.55 -4.39 4.92 -0.04 -1.26 -4.83 135.00 133.29 3i4m n PRO 501 Ca -0.13 -0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 62.97 3i4m n PRO 501 Cb 0.42 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 3i4m n PRO 501 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i4m s ILE 502 N -2.15 0.52 0.01 0.52 -5.25 -1.26 -5.09 121.20 108.49 3i4m s ILE 502 Ca 0.47 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 58.10 3i4m s ILE 502 Cb -0.09 -2.51 -0.02 0.00 2.95 0.00 0.00 42.46 42.79 3i4m s ILE 502 CO 0.70 0.00 1.05 1.23 -1.79 0.00 0.00 174.94 176.13 3i4m h GLY 503 N 2.10 -0.22 0.00 6.27 0.00 -1.97 -3.47 103.07 105.78 3i4m h GLY 503 Ca -0.35 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3i4m h GLY 503 CO 0.56 -0.08 0.00 0.54 0.00 0.00 0.00 176.54 177.56 3i4m n ARG 504 N -2.33 0.00 -4.40 4.80 1.74 -1.26 -5.12 116.66 110.09 3i4m n ARG 504 Ca -0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 3i4m n ARG 504 Cb 0.04 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.35 3i4m n ARG 504 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i4m s ASP 505 N -2.15 3.33 -0.00 0.55 1.01 -1.26 -5.01 116.67 113.14 3i4m s ASP 505 Ca 0.00 -0.74 -0.00 0.00 0.71 0.00 0.00 52.55 52.52 3i4m s ASP 505 Cb 0.00 -0.23 -0.00 0.00 1.01 0.00 0.00 42.92 43.70 3i4m s ASP 505 CO 0.00 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.17 3i4m n GLY 506 N 0.92 -0.00 3.40 0.21 0.00 -1.26 -4.70 105.19 103.77 3i4m n GLY 506 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3i4m n GLY 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i4m n LYS 507 N 0.01 1.93 -2.05 1.61 4.76 -1.26 -4.89 118.16 118.27 3i4m n LYS 507 Ca 0.00 -2.46 -0.32 0.00 -2.87 0.00 0.00 58.31 52.66 3i4m n LYS 507 Cb 0.00 -3.46 -0.04 0.00 -1.84 0.00 0.00 35.03 29.69 3i4m n LYS 507 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3i4m s LEU 508 N 6.79 3.23 0.00 -0.35 2.96 -1.26 -4.38 118.68 125.67 3i4m s LEU 508 Ca 0.62 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 3i4m s LEU 508 Cb 0.05 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.19 3i4m s LEU 508 CO 0.11 -2.56 0.00 0.00 -1.32 0.00 0.00 176.35 172.58 3i4m n ALA 509 N 13.34 0.00 -0.15 5.97 0.00 -1.26 -5.02 120.51 133.39 3i4m n ALA 509 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3i4m n ALA 509 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i4m n ALA 509 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i4m n LYS 510 N 0.00 0.00 0.00 0.00 2.85 -1.26 -3.60 118.16 116.15 3i4m n LYS 510 Ca 0.00 0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 3i4m n LYS 510 Cb 0.00 -0.25 0.00 0.00 -0.65 0.00 0.00 35.03 34.13 3i4m n LYS 510 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3i4m n PRO 511 N -1.13 0.00 0.00 -1.58 -0.02 -1.26 -3.38 135.00 127.63 3i4m n PRO 511 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i4m n PRO 511 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i4m n PRO 511 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i4m n ARG 512 N 0.00 0.00 -1.37 -0.52 1.74 -1.25 -4.54 116.66 110.72 3i4m n ARG 512 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 3i4m n ARG 512 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 3i4m n ARG 512 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i4m s GLN 513 N -1.73 1.91 -0.28 5.56 1.11 -1.22 -4.35 119.66 120.66 3i4m s GLN 513 Ca 0.00 0.84 -0.16 0.00 0.01 0.00 0.00 55.36 56.05 3i4m s GLN 513 Cb 0.00 -1.88 -0.03 0.00 -1.01 0.00 0.00 33.01 30.09 3i4m s GLN 513 CO 0.00 -1.79 0.41 -1.17 0.01 0.00 0.00 175.29 172.75 3i4m s LEU 514 N -5.94 4.09 0.52 2.90 2.96 -1.26 -5.03 118.68 116.92 3i4m s LEU 514 Ca 0.61 0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3i4m s LEU 514 Cb -0.16 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.06 3i4m s LEU 514 CO 0.56 -0.24 0.76 -2.28 -1.32 0.00 0.00 176.35 173.83 3i4m s HIS 515 N 2.14 3.14 -0.02 5.38 5.65 -1.26 -5.02 115.29 125.29 3i4m s HIS 515 Ca 0.16 0.28 -0.25 0.00 0.25 0.00 0.00 55.06 55.51 3i4m s HIS 515 Cb -0.16 -2.55 -0.18 0.00 -1.18 0.00 0.00 32.58 28.51 3i4m s HIS 515 CO 0.10 -0.63 1.16 -0.91 -0.65 0.00 0.00 174.74 173.82 3i4m h ASN 516 N 0.15 -0.12 0.00 9.88 -0.26 -1.97 -2.52 115.58 120.74 3i4m h ASN 516 Ca -0.45 -0.39 0.00 0.00 -0.56 0.00 0.00 56.30 54.90 3i4m h ASN 516 Cb 1.27 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 3i4m h ASN 516 CO 0.57 0.36 0.11 0.35 -1.06 0.00 0.00 177.43 177.76 3i4m n THR 517 N -4.93 0.97 0.08 2.81 -2.24 -1.26 -0.34 114.28 109.36 3i4m n THR 517 Ca -0.09 0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 62.02 3i4m n THR 517 Cb 0.26 -1.36 -0.07 0.00 -2.10 0.00 0.00 70.33 67.06 3i4m n THR 517 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3i4m h HIS 518 N 0.00 0.00 -1.29 4.78 3.86 -1.82 -3.44 115.15 117.24 3i4m h HIS 518 Ca 0.00 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.51 3i4m h HIS 518 Cb 0.23 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.78 3i4m h HIS 518 CO 0.00 0.79 -0.10 1.87 0.86 0.00 0.00 177.93 181.35 3i4m n TRP 519 N -3.25 0.41 0.00 2.45 -0.00 0.54 -1.61 117.44 115.99 3i4m n TRP 519 Ca -0.01 0.92 0.00 0.00 -0.00 0.00 0.00 57.50 58.40 3i4m n TRP 519 Cb 0.87 -2.10 0.00 0.00 -0.00 0.00 0.00 31.31 30.08 3i4m n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3i4m n GLY 520 N 1.81 1.93 0.06 5.87 0.00 -1.26 -4.67 105.19 108.93 3i4m n GLY 520 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3i4m n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 521 N 0.00 1.46 -4.94 0.99 4.77 -0.63 -4.39 117.00 114.26 3i4m n LEU 521 Ca 0.00 0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 56.25 3i4m n LEU 521 Cb 0.00 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 3i4m n LEU 521 CO 0.00 -0.46 -0.01 -0.69 -1.33 0.00 0.00 177.39 174.90 3i4m s VAL 522 N -2.06 5.24 0.14 4.08 1.01 -0.83 0.15 120.40 128.14 3i4m s VAL 522 Ca -0.13 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3i4m s VAL 522 Cb 0.02 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 3i4m s VAL 522 CO 0.19 -0.20 1.04 0.00 0.00 0.00 0.00 175.10 176.14 3i4m h PRO 524 N 5.36 0.02 0.00 0.00 0.13 -1.89 -3.39 132.00 132.23 3i4m h PRO 524 Ca -0.44 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 3i4m h PRO 524 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 3i4m h PRO 524 CO 0.72 0.76 -2.28 0.00 -0.23 0.00 0.00 178.00 176.97 3i4m n ALA 525 N -2.40 1.53 -2.46 -0.56 0.00 -1.26 -4.90 120.51 110.46 3i4m n ALA 525 Ca -0.01 -1.15 -0.39 0.00 0.00 0.00 0.00 53.44 51.89 3i4m n ALA 525 Cb 0.73 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3i4m n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i4m s GLU 526 N -2.45 3.32 0.03 0.00 2.12 -1.26 -4.21 118.70 116.25 3i4m s GLU 526 Ca -0.16 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 54.30 3i4m s GLU 526 Cb 0.06 -5.07 0.01 0.00 0.26 0.00 0.00 34.13 29.39 3i4m s GLU 526 CO 0.69 -2.40 0.22 -0.08 -0.54 0.00 0.00 175.26 173.15 3i4m s THR 527 N 6.06 0.09 0.20 -1.70 -1.32 -1.26 -4.03 115.64 113.69 3i4m s THR 527 Ca 0.49 -0.78 -0.31 0.00 -1.21 0.00 0.00 61.69 59.88 3i4m s THR 527 Cb -0.03 -0.81 -0.10 0.00 -1.51 0.00 0.00 72.50 70.06 3i4m s THR 527 CO -0.03 -0.43 1.44 -2.16 -2.21 0.00 0.00 174.62 171.23 3i4m s PRO 528 N -2.23 4.28 0.15 7.08 0.04 -1.26 -4.92 135.00 138.13 3i4m s PRO 528 Ca -0.08 2.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 3i4m s PRO 528 Cb -0.03 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.28 3i4m s PRO 528 CO -0.02 -0.44 1.39 -1.21 0.04 0.00 0.00 177.00 176.76 3i4m s GLU 529 N 0.22 4.32 1.59 4.56 2.02 -1.26 -3.76 118.70 126.40 3i4m s GLU 529 Ca 0.62 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.72 3i4m s GLU 529 Cb -0.41 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.60 3i4m s GLU 529 CO 0.38 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.66 3i4m n GLY 530 N 3.19 -1.17 7.00 -1.39 0.00 -1.26 -4.79 105.19 106.77 3i4m n GLY 530 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3i4m n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLN 531 N -2.46 0.00 -0.99 1.61 10.64 -1.26 -1.21 117.38 123.71 3i4m n GLN 531 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 3i4m n GLN 531 Cb 0.15 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.36 3i4m n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3i4m n ALA 532 N 9.31 6.34 -2.55 2.61 0.00 -1.26 -4.90 120.51 130.06 3i4m n ALA 532 Ca 0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.17 3i4m n ALA 532 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.08 3i4m n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n GLY 534 N 3.11 1.98 0.09 0.00 0.00 -1.26 -4.61 105.19 104.50 3i4m n GLY 534 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3i4m n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i4m h LEU 535 N 0.00 0.11 -8.88 0.99 3.38 -1.81 -3.38 115.31 105.72 3i4m h LEU 535 Ca 0.00 -0.21 -0.63 0.00 0.09 0.00 0.00 57.88 57.13 3i4m h LEU 535 Cb 0.00 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 40.52 3i4m h LEU 535 CO 0.00 1.18 -0.60 -0.69 0.09 0.00 0.00 178.44 178.42 3i4m s VAL 536 N -2.61 4.45 0.21 1.22 1.01 -1.17 -2.26 120.40 121.25 3i4m s VAL 536 Ca -0.07 -0.14 0.11 0.00 0.00 0.00 0.00 61.98 61.88 3i4m s VAL 536 Cb 0.08 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 3i4m s VAL 536 CO 0.82 0.42 -0.22 -0.54 0.00 0.00 0.00 175.10 175.58 3i4m s LYS 537 N 0.84 1.53 -0.16 2.72 1.02 0.16 -4.51 119.74 121.33 3i4m s LYS 537 Ca 0.03 -1.57 -0.01 0.00 0.02 0.00 0.00 55.97 54.44 3i4m s LYS 537 Cb -0.14 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 3i4m s LYS 537 CO 0.02 0.37 -0.12 -0.80 -0.92 0.00 0.00 175.35 173.90 3i4m s ASN 538 N -2.86 3.93 0.40 2.83 0.01 -1.26 0.20 114.94 118.19 3i4m s ASN 538 Ca 0.22 -0.40 -0.25 0.00 -0.71 0.00 0.00 52.86 51.73 3i4m s ASN 538 Cb -0.07 -1.62 -0.08 0.00 0.41 0.00 0.00 41.25 39.89 3i4m s ASN 538 CO 0.11 0.09 1.14 -0.76 -1.51 0.00 0.00 177.10 176.17 3i4m s LEU 539 N 0.77 4.18 0.00 0.60 1.02 -1.21 0.01 118.68 124.04 3i4m s LEU 539 Ca -0.05 2.26 -0.14 0.00 0.02 0.00 0.00 54.13 56.23 3i4m s LEU 539 Cb -0.15 -4.07 0.21 0.00 0.02 0.00 0.00 46.19 42.20 3i4m s LEU 539 CO 0.01 -0.63 0.51 -1.20 0.02 0.00 0.00 176.35 175.06 3i4m n SER 540 N 0.03 -3.07 -0.03 2.29 7.64 0.40 -4.38 113.62 116.50 3i4m n SER 540 Ca 0.05 -0.54 -0.00 0.00 1.01 0.00 0.00 58.87 59.38 3i4m n SER 540 Cb 0.47 -0.56 -0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3i4m n SER 540 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i4m h LEU 541 N 0.00 0.00 -0.65 -3.43 3.38 -1.56 -3.39 115.31 109.66 3i4m h LEU 541 Ca -0.22 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.88 3i4m h LEU 541 Cb 0.75 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 3i4m h LEU 541 CO 0.14 0.28 -0.11 0.24 0.09 0.00 0.00 178.44 179.07 3i4m h MET 542 N -0.53 0.03 -5.82 1.13 2.86 -1.88 -3.44 114.93 107.28 3i4m h MET 542 Ca 0.00 -0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 3i4m h MET 542 Cb 0.02 -0.01 0.22 0.00 0.06 0.00 0.00 31.60 31.89 3i4m h MET 542 CO 0.00 0.02 -1.61 -1.13 1.06 0.00 0.00 176.91 175.25 3i4m n SER 543 N -5.40 -5.19 -3.06 1.22 3.41 -1.26 -4.75 113.62 98.59 3i4m n SER 543 Ca 0.09 0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3i4m n SER 543 Cb 0.35 -0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 3i4m n SER 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4m s ILE 545 N -2.66 1.66 0.13 0.00 1.01 -1.26 -2.22 121.20 117.86 3i4m s ILE 545 Ca 0.24 -1.16 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 3i4m s ILE 545 Cb -0.03 -1.44 -0.10 0.00 0.01 0.00 0.00 42.46 40.91 3i4m s ILE 545 CO 0.17 0.23 1.67 -0.94 0.00 0.00 0.00 174.94 176.08 3i4m s SER 546 N -1.10 6.53 -0.12 3.58 1.04 0.38 -4.86 113.70 119.16 3i4m s SER 546 Ca 0.07 2.63 -0.28 0.00 0.48 0.00 0.00 55.95 58.86 3i4m s SER 546 Cb -0.09 -2.58 -0.26 0.00 0.10 0.00 0.00 66.02 63.20 3i4m s SER 546 CO 0.01 -0.90 0.83 1.62 0.98 0.00 0.00 173.24 175.78 3i4m h VAL 547 N 4.42 1.73 0.00 5.02 3.04 -1.91 -1.46 116.25 127.09 3i4m h VAL 547 Ca -0.43 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.01 3i4m h VAL 547 Cb 1.21 3.26 0.00 0.00 -2.01 0.00 0.00 31.29 33.74 3i4m h VAL 547 CO 0.93 0.59 0.00 0.61 -1.01 0.00 0.00 177.57 178.69 3i4m n GLY 548 N 1.48 3.49 3.82 3.17 0.00 -1.26 -4.67 105.19 111.22 3i4m n GLY 548 Ca -0.10 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 3i4m n GLY 548 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4m s THR 549 N 0.00 1.54 -0.10 2.61 2.01 -0.51 -5.02 115.64 116.17 3i4m s THR 549 Ca 0.00 -1.74 -0.02 0.00 0.31 0.00 0.00 61.69 60.24 3i4m s THR 549 Cb 0.00 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 3i4m s THR 549 CO 0.00 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.31 3i4m s ASP 550 N -4.05 5.22 0.00 3.53 -1.08 -1.26 -4.74 116.67 114.29 3i4m s ASP 550 Ca 0.23 0.12 -0.24 0.00 -0.52 0.00 0.00 52.55 52.14 3i4m s ASP 550 Cb 0.00 -1.53 -0.18 0.00 -1.46 0.00 0.00 42.92 39.76 3i4m s ASP 550 CO 0.14 0.35 1.30 1.55 0.52 0.00 0.00 175.17 179.02 3i4m h PRO 551 N 5.38 0.15 -0.60 4.34 0.13 -2.01 -3.38 132.00 136.02 3i4m h PRO 551 Ca -0.48 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 64.63 3i4m h PRO 551 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 3i4m h PRO 551 CO 0.56 0.60 -0.31 -1.33 -0.23 0.00 0.00 178.00 177.29 3i4m n MET 552 N -4.72 -0.21 0.00 0.86 2.81 -1.26 0.11 117.12 114.70 3i4m n MET 552 Ca -0.07 0.91 0.00 0.00 -1.81 0.00 0.00 57.70 56.72 3i4m n MET 552 Cb 0.30 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 3i4m n MET 552 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3i4m n PRO 553 N -4.80 0.00 -0.04 0.03 -0.04 -1.26 -0.41 135.00 128.48 3i4m n PRO 553 Ca 0.03 0.47 -0.05 0.00 -0.04 0.00 0.00 63.50 63.92 3i4m n PRO 553 Cb 0.19 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.10 3i4m n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i4m n ILE 554 N -1.47 0.43 0.20 0.52 5.41 0.31 -3.60 119.36 121.14 3i4m n ILE 554 Ca 0.00 -0.17 -0.15 0.00 1.00 0.00 0.00 62.75 63.43 3i4m n ILE 554 Cb 0.01 -0.77 -0.08 0.00 -0.71 0.00 0.00 39.64 38.09 3i4m n ILE 554 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3i4m h ILE 555 N 0.00 0.22 0.77 1.39 2.04 0.90 0.87 117.51 123.70 3i4m h ILE 555 Ca -0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3i4m h ILE 555 Cb 1.27 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3i4m h ILE 555 CO -0.02 0.00 -0.40 0.74 0.00 0.00 0.00 178.15 178.46 3i4m h THR 556 N -0.73 0.00 -1.75 -0.27 2.02 -0.96 -1.79 112.91 109.43 3i4m h THR 556 Ca -0.01 0.00 0.54 0.00 0.77 0.00 0.00 66.41 67.70 3i4m h THR 556 Cb 0.68 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.99 3i4m h THR 556 CO -0.12 0.00 1.22 0.15 0.37 0.00 0.00 175.52 177.14 3i4m h PHE 557 N -1.08 0.19 0.00 3.16 -0.00 -1.59 -2.25 116.94 115.38 3i4m h PHE 557 Ca -0.11 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.87 3i4m h PHE 557 Cb 0.84 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.74 3i4m h PHE 557 CO 0.00 -0.11 -0.02 -0.07 -0.00 0.00 0.00 178.31 178.11 3i4m h LEU 558 N 0.00 0.00 -4.86 0.59 3.38 -0.25 -3.36 115.31 110.81 3i4m h LEU 558 Ca 0.92 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.82 3i4m h LEU 558 Cb 3.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 44.14 3i4m h LEU 558 CO -0.18 0.34 0.45 -1.54 0.09 0.00 0.00 178.44 177.60 3i4m n SER 559 N -3.85 1.47 -0.57 -0.43 3.41 -0.73 0.51 113.62 113.42 3i4m n SER 559 Ca -0.00 -1.80 -0.01 0.00 -0.26 0.00 0.00 58.87 56.79 3i4m n SER 559 Cb 0.01 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 3i4m n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4m n GLU 560 N 3.09 0.00 0.00 4.33 1.02 -1.22 -4.75 120.64 123.10 3i4m n GLU 560 Ca 0.12 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3i4m n GLU 560 Cb 0.22 0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 3i4m n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3i4m n TRP 561 N 0.00 0.00 0.00 -0.32 7.02 0.18 -5.02 117.44 119.31 3i4m n TRP 561 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 3i4m n TRP 561 Cb 0.51 0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 3i4m n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3i4m n GLY 562 N 0.00 0.31 3.04 6.99 0.00 -1.21 -5.00 105.19 109.31 3i4m n GLY 562 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3i4m n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i4m s MET 563 N 0.00 2.23 -0.33 1.61 0.00 -1.26 -3.73 119.30 117.82 3i4m s MET 563 Ca 0.00 -2.46 -0.28 0.00 0.00 0.00 0.00 55.69 52.95 3i4m s MET 563 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 34.83 31.26 3i4m s MET 563 CO 0.00 -1.13 2.12 -1.21 0.00 0.00 0.00 175.02 174.80 3i4m s GLU 564 N 0.02 2.94 -0.02 4.11 2.02 0.17 -4.78 118.70 123.16 3i4m s GLU 564 Ca 0.16 1.64 -0.33 0.00 0.02 0.00 0.00 54.97 56.46 3i4m s GLU 564 Cb -0.22 -4.37 -0.11 0.00 0.10 0.00 0.00 34.13 29.52 3i4m s GLU 564 CO -0.03 -2.32 1.87 -0.35 0.02 0.00 0.00 175.26 174.45 3i4m n PRO 565 N 8.76 2.39 -0.30 0.39 -0.04 -1.26 -1.79 135.00 143.14 3i4m n PRO 565 Ca 0.29 0.87 0.27 0.00 -0.04 0.00 0.00 63.50 64.89 3i4m n PRO 565 Cb 0.48 -2.74 0.46 0.00 -0.04 0.00 0.00 33.50 31.66 3i4m n PRO 565 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i4m n LEU 566 N 6.45 0.18 -0.34 1.53 7.94 -1.21 0.11 117.00 131.66 3i4m n LEU 566 Ca 0.21 1.03 0.32 0.00 -1.11 0.00 0.00 56.01 56.46 3i4m n LEU 566 Cb 0.33 -0.50 0.58 0.00 0.53 0.00 0.00 43.42 44.35 3i4m n LEU 566 CO 0.71 -1.13 1.04 -0.62 -1.11 0.00 0.00 177.39 176.27 3i4m n GLU 567 N -4.23 -0.05 -3.72 1.96 -0.58 -1.26 -2.59 120.64 110.17 3i4m n GLU 567 Ca 0.28 1.27 -0.28 0.00 -0.42 0.00 0.00 57.16 58.01 3i4m n GLU 567 Cb 1.05 -2.34 -0.12 0.00 -0.57 0.00 0.00 31.44 29.46 3i4m n GLU 567 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3i4m s ASP 568 N -4.49 3.58 0.26 1.62 1.01 0.30 -4.94 116.67 114.02 3i4m s ASP 568 Ca -0.08 -3.23 0.09 0.00 0.71 0.00 0.00 52.55 50.04 3i4m s ASP 568 Cb 0.31 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.05 3i4m s ASP 568 CO 0.74 -0.17 0.03 -0.47 0.21 0.00 0.00 175.17 175.51 3i4m s TYR 569 N -0.45 2.77 -0.31 4.23 5.04 -1.07 -4.72 117.35 122.84 3i4m s TYR 569 Ca 0.24 -0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 54.66 3i4m s TYR 569 Cb -0.10 -1.23 0.12 0.00 0.35 0.00 0.00 41.96 41.10 3i4m s TYR 569 CO -0.11 0.60 0.22 0.14 -1.34 0.00 0.00 175.55 175.06 3i4m s VAL 570 N -2.27 -0.16 0.29 3.14 -7.23 -1.26 -5.03 120.40 107.88 3i4m s VAL 570 Ca 0.31 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3i4m s VAL 570 Cb -0.07 -0.97 0.40 0.00 0.56 0.00 0.00 36.38 36.30 3i4m s VAL 570 CO 0.21 -0.69 1.58 1.55 -0.31 0.00 0.00 175.10 177.44 3i4m h PRO 571 N 7.95 0.02 0.00 4.82 0.13 -1.84 0.59 132.00 143.67 3i4m h PRO 571 Ca -0.10 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3i4m h PRO 571 Cb 1.03 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3i4m h PRO 571 CO 0.35 0.01 -0.00 0.45 -0.23 0.00 0.00 178.00 178.58 3i4m h HIS 572 N 0.02 -0.00 -0.87 1.56 3.86 -1.93 -3.36 115.15 114.44 3i4m h HIS 572 Ca 0.55 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.87 3i4m h HIS 572 Cb 1.05 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.39 3i4m h HIS 572 CO -0.55 -0.00 -0.39 0.94 0.86 0.00 0.00 177.93 178.79 3i4m n GLN 573 N -2.09 -0.26 -2.96 2.45 7.27 -1.18 -2.41 117.38 118.20 3i4m n GLN 573 Ca -0.00 1.33 -0.44 0.00 0.07 0.00 0.00 57.00 57.96 3i4m n GLN 573 Cb 0.00 -1.97 -0.04 0.00 2.41 0.00 0.00 30.24 30.65 3i4m n GLN 573 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3i4m s SER 574 N -5.35 6.19 0.00 1.69 0.01 0.19 -4.97 113.70 111.46 3i4m s SER 574 Ca -0.11 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 55.94 3i4m s SER 574 Cb 0.15 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 64.01 3i4m s SER 574 CO 0.59 -1.30 0.00 -0.81 0.41 0.00 0.00 173.24 172.13 3i4m n PRO 575 N 7.13 0.00 -1.10 12.44 -0.04 -1.01 -4.43 135.00 147.98 3i4m n PRO 575 Ca -0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.22 3i4m n PRO 575 Cb 0.44 -0.02 -0.13 0.00 -0.04 0.00 0.00 33.50 33.75 3i4m n PRO 575 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i4m n ASP 576 N 0.00 6.12 -3.02 3.54 8.00 -1.26 -4.93 116.55 125.00 3i4m n ASP 576 Ca 0.00 -2.54 -0.01 0.00 0.71 0.00 0.00 54.79 52.95 3i4m n ASP 576 Cb 0.00 -1.44 0.01 0.00 -0.02 0.00 0.00 41.12 39.67 3i4m n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m n ALA 577 N 2.66 -0.25 -2.96 2.24 0.00 -1.26 -5.00 120.51 115.95 3i4m n ALA 577 Ca 0.52 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 3i4m n ALA 577 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 20.18 3i4m n ALA 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i4m n THR 578 N -2.96 -0.30 -1.57 0.00 -1.04 -1.21 -4.89 114.28 102.30 3i4m n THR 578 Ca 0.01 -2.72 -0.60 0.00 -2.04 0.00 0.00 64.05 58.70 3i4m n THR 578 Cb 0.03 -0.04 -0.08 0.00 -1.82 0.00 0.00 70.33 68.42 3i4m n THR 578 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3i4m n ARG 579 N 1.39 0.24 -3.51 -2.82 1.85 -1.25 -4.01 116.66 108.54 3i4m n ARG 579 Ca 0.15 0.09 -0.34 0.00 -1.00 0.00 0.00 57.85 56.74 3i4m n ARG 579 Cb 0.59 -1.62 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 3i4m n ARG 579 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i4m s VAL 580 N 0.84 5.02 -0.11 8.89 1.01 0.33 -1.64 120.40 134.74 3i4m s VAL 580 Ca 0.93 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3i4m s VAL 580 Cb -1.26 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 31.48 3i4m s VAL 580 CO 0.61 0.20 -0.10 -0.36 0.00 0.00 0.00 175.10 175.46 3i4m s PHE 581 N -1.50 1.58 -0.19 5.22 2.99 0.68 -3.26 117.98 123.51 3i4m s PHE 581 Ca 0.37 -0.77 -0.01 0.00 0.00 0.00 0.00 56.93 56.52 3i4m s PHE 581 Cb -0.14 -1.26 0.01 0.00 0.00 0.00 0.00 43.02 41.63 3i4m s PHE 581 CO 0.19 -0.49 -0.14 0.08 -0.00 0.00 0.00 175.22 174.86 3i4m s VAL 582 N 1.47 2.58 -1.59 -0.44 1.01 -0.25 0.15 120.40 123.33 3i4m s VAL 582 Ca 0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 3i4m s VAL 582 Cb -0.13 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.21 3i4m s VAL 582 CO -0.06 0.50 0.51 0.59 0.00 0.00 0.00 175.10 176.64 3i4m n ASN 583 N 4.59 -1.43 -3.32 3.32 3.02 0.78 -0.22 115.26 122.00 3i4m n ASN 583 Ca -0.20 -1.08 -0.21 0.00 -0.03 0.00 0.00 54.58 53.06 3i4m n ASN 583 Cb 0.51 -2.56 0.07 0.00 -0.61 0.00 0.00 39.78 37.19 3i4m n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i4m n GLY 584 N -1.77 -0.41 2.89 7.41 0.00 -1.26 -4.97 105.19 107.09 3i4m n GLY 584 Ca -0.12 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3i4m n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4m s VAL 585 N -3.30 0.53 -0.81 1.61 1.01 0.69 -4.86 120.40 115.27 3i4m s VAL 585 Ca 0.49 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.12 3i4m s VAL 585 Cb -0.21 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.68 3i4m s VAL 585 CO 0.67 0.22 1.16 0.86 0.00 0.00 0.00 175.10 178.01 3i4m s TRP 586 N 0.90 2.67 -2.34 5.22 -0.00 -1.26 -1.09 118.94 123.05 3i4m s TRP 586 Ca -0.11 -0.70 0.25 0.00 -0.00 0.00 0.00 56.10 55.54 3i4m s TRP 586 Cb -0.14 -4.44 1.00 0.00 -0.00 0.00 0.00 33.47 29.89 3i4m s TRP 586 CO 0.00 -1.76 1.70 0.72 -0.00 0.00 0.00 176.95 177.62 3i4m n HIS 587 N 8.01 0.08 0.00 5.86 8.25 -1.20 -4.76 115.22 131.46 3i4m n HIS 587 Ca 0.11 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3i4m n HIS 587 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3i4m n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4m n GLY 588 N 1.12 0.66 3.14 -1.41 0.00 -1.26 -3.32 105.19 104.11 3i4m n GLY 588 Ca 0.18 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 3i4m n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4m s VAL 589 N -1.95 0.15 0.03 1.61 1.01 -0.74 -0.52 120.40 119.99 3i4m s VAL 589 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 61.98 60.19 3i4m s VAL 589 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3i4m s VAL 589 CO 0.00 -0.68 -0.08 -2.28 0.00 0.00 0.00 175.10 172.06 3i4m s HIS 590 N -3.99 0.73 0.00 5.22 5.04 -1.24 0.45 115.29 121.50 3i4m s HIS 590 Ca 0.16 -0.34 0.00 0.00 -1.54 0.00 0.00 55.06 53.34 3i4m s HIS 590 Cb 0.07 -0.44 0.00 0.00 0.04 0.00 0.00 32.58 32.25 3i4m s HIS 590 CO -0.04 -0.03 0.00 0.54 -2.34 0.00 0.00 174.74 172.87 3i4m n ARG 591 N 2.00 3.33 -0.88 2.88 1.74 -1.26 -3.31 116.66 121.17 3i4m n ARG 591 Ca -0.19 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.69 3i4m n ARG 591 Cb 0.56 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.89 3i4m n ARG 591 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i4m n ASN 592 N 0.00 -0.17 0.03 0.55 2.85 -1.26 -4.71 115.26 112.54 3i4m n ASN 592 Ca 0.00 -0.04 0.06 0.00 -0.11 0.00 0.00 54.58 54.50 3i4m n ASN 592 Cb 0.00 -0.46 -0.09 0.00 1.24 0.00 0.00 39.78 40.47 3i4m n ASN 592 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i4m n PRO 593 N 4.38 0.64 -0.57 1.20 -0.04 -1.26 -3.94 135.00 135.41 3i4m n PRO 593 Ca 0.39 0.03 0.45 0.00 -0.04 0.00 0.00 63.50 64.33 3i4m n PRO 593 Cb 0.04 -1.69 0.72 0.00 -0.04 0.00 0.00 33.50 32.52 3i4m n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4m n ALA 594 N -2.32 1.56 -0.05 0.55 0.00 -1.26 0.25 120.51 119.24 3i4m n ALA 594 Ca -0.07 0.74 -0.18 0.00 0.00 0.00 0.00 53.44 53.93 3i4m n ALA 594 Cb 0.69 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 3i4m n ALA 594 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i4m n ARG 595 N -4.26 0.70 -0.34 0.00 1.74 -1.26 -3.88 116.66 109.37 3i4m n ARG 595 Ca 0.41 0.20 0.23 0.00 -0.77 0.00 0.00 57.85 57.92 3i4m n ARG 595 Cb 1.72 -1.64 0.46 0.00 -1.02 0.00 0.00 32.46 31.98 3i4m n ARG 595 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i4m h LEU 596 N 0.03 0.55 0.00 0.55 5.85 0.31 -1.55 115.31 121.06 3i4m h LEU 596 Ca -0.47 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3i4m h LEU 596 Cb 2.01 0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.14 3i4m h LEU 596 CO 0.02 -0.06 0.00 0.80 -0.34 0.00 0.00 178.44 178.86 3i4m n MET 597 N -4.98 0.00 -0.36 1.25 1.56 0.12 -2.08 117.12 112.63 3i4m n MET 597 Ca 0.30 0.45 0.29 0.00 -0.27 0.00 0.00 57.70 58.47 3i4m n MET 597 Cb 0.93 -1.34 0.47 0.00 2.15 0.00 0.00 33.22 35.43 3i4m n MET 597 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3i4m n GLU 598 N -1.84 -0.02 0.08 2.12 2.13 -0.71 0.14 120.64 122.54 3i4m n GLU 598 Ca 0.00 0.78 -0.04 0.00 0.66 0.00 0.00 57.16 58.56 3i4m n GLU 598 Cb 0.00 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.08 3i4m n GLU 598 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3i4m h THR 599 N 0.00 0.00 -0.57 6.31 2.02 -1.20 -2.88 112.91 116.59 3i4m h THR 599 Ca 0.59 -0.14 0.14 0.00 0.77 0.00 0.00 66.41 67.76 3i4m h THR 599 Cb 2.06 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3i4m h THR 599 CO -0.20 0.00 0.40 -0.07 0.37 0.00 0.00 175.52 176.02 3i4m h LEU 600 N -0.37 0.15 0.09 2.58 3.38 0.17 -0.72 115.31 120.59 3i4m h LEU 600 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i4m h LEU 600 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i4m h LEU 600 CO 0.04 0.08 -0.04 0.03 0.09 0.00 0.00 178.44 178.64 3i4m h ARG 601 N 0.16 -0.11 -0.17 1.13 3.08 0.54 -2.24 114.38 116.77 3i4m h ARG 601 Ca 0.27 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3i4m h ARG 601 Cb 0.85 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3i4m h ARG 601 CO -0.04 0.06 0.00 2.41 -1.07 0.00 0.00 179.97 181.33 3i4m n THR 602 N -5.07 0.22 0.11 2.04 -1.04 -0.89 -2.89 114.28 106.76 3i4m n THR 602 Ca -0.08 -0.27 0.03 0.00 -2.04 0.00 0.00 64.05 61.69 3i4m n THR 602 Cb 0.13 0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 3i4m n THR 602 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i4m h LEU 603 N 1.43 0.00 0.00 -4.42 7.12 -0.53 -3.07 115.31 115.85 3i4m h LEU 603 Ca 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.81 3i4m h LEU 603 Cb 0.32 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 3i4m h LEU 603 CO 0.00 0.47 -1.12 -0.09 -0.13 0.00 0.00 178.44 177.56 3i4m h ARG 604 N 0.00 0.00 0.00 1.25 2.43 -1.40 -2.67 114.38 114.00 3i4m h ARG 604 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3i4m h ARG 604 Cb 1.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 3i4m h ARG 604 CO 0.05 0.90 0.05 0.54 -1.51 0.00 0.00 179.97 180.01 3i4m n ARG 605 N -4.46 0.00 -0.04 0.20 1.74 -1.17 0.20 116.66 113.14 3i4m n ARG 605 Ca -0.29 0.14 -0.03 0.00 -0.77 0.00 0.00 57.85 56.90 3i4m n ARG 605 Cb 0.63 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 3i4m n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3i4m n LYS 606 N -1.06 0.26 0.00 5.56 4.81 -1.16 -2.40 118.16 124.17 3i4m n LYS 606 Ca 0.00 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3i4m n LYS 606 Cb 0.05 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3i4m n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i4m n GLY 607 N 1.63 1.83 0.12 3.14 0.00 0.13 -4.65 105.19 107.39 3i4m n GLY 607 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 3i4m n GLY 607 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i4m n ASP 608 N 0.00 1.61 -4.17 1.61 2.03 -1.02 -4.72 116.55 111.90 3i4m n ASP 608 Ca 0.00 0.18 -0.34 0.00 0.52 0.00 0.00 54.79 55.16 3i4m n ASP 608 Cb 0.00 -0.43 -0.15 0.00 -0.72 0.00 0.00 41.12 39.81 3i4m n ASP 608 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3i4m s ILE 609 N -2.56 2.43 -0.11 5.18 -4.36 -1.15 -5.05 121.20 115.58 3i4m s ILE 609 Ca -0.19 -0.89 -0.29 0.00 -0.26 0.00 0.00 60.65 59.02 3i4m s ILE 609 Cb 0.07 -2.09 -0.14 0.00 1.25 0.00 0.00 42.46 41.56 3i4m s ILE 609 CO 0.76 0.45 0.84 -3.20 0.24 0.00 0.00 174.94 174.03 3i4m n ASN 610 N 4.65 0.25 0.00 4.36 2.85 -1.26 -4.26 115.26 121.85 3i4m n ASN 610 Ca -0.20 0.80 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 3i4m n ASN 610 Cb 0.49 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.90 3i4m n ASN 610 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3i4m n PRO 611 N 1.55 0.00 0.00 1.20 -0.02 -1.26 -3.09 135.00 133.38 3i4m n PRO 611 Ca 0.16 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3i4m n PRO 611 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3i4m n PRO 611 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i4m n GLU 612 N -1.05 0.00 -0.86 -0.52 2.13 -1.26 -3.85 120.64 115.24 3i4m n GLU 612 Ca 0.00 0.19 -0.29 0.00 0.66 0.00 0.00 57.16 57.71 3i4m n GLU 612 Cb 0.00 -0.61 -0.02 0.00 0.27 0.00 0.00 31.44 31.08 3i4m n GLU 612 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i4m n VAL 613 N -1.73 1.21 -3.70 6.31 0.31 -1.18 -4.78 118.33 114.77 3i4m n VAL 613 Ca 0.00 -0.30 -0.21 0.00 -0.01 0.00 0.00 64.34 63.82 3i4m n VAL 613 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3i4m n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3i4m s SER 614 N -0.60 5.25 -0.23 4.52 1.04 -0.32 -4.94 113.70 118.42 3i4m s SER 614 Ca 0.39 -0.56 -0.26 0.00 0.48 0.00 0.00 55.95 56.00 3i4m s SER 614 Cb -0.57 -0.85 0.08 0.00 0.10 0.00 0.00 66.02 64.78 3i4m s SER 614 CO 0.34 -0.46 0.78 0.00 0.98 0.00 0.00 173.24 174.88 3i4m s MET 615 N -4.05 0.81 -0.14 4.02 0.23 -1.25 -0.35 119.30 118.56 3i4m s MET 615 Ca 0.44 0.77 -0.08 0.00 -1.03 0.00 0.00 55.69 55.79 3i4m s MET 615 Cb -0.05 0.39 0.05 0.00 -1.53 0.00 0.00 34.83 33.69 3i4m s MET 615 CO 0.27 -0.14 0.33 0.42 -2.03 0.00 0.00 175.02 173.88 3i4m s ILE 616 N 0.02 -0.03 -0.43 3.16 1.09 0.57 -4.76 121.20 120.82 3i4m s ILE 616 Ca -0.01 0.11 -0.16 0.00 -1.10 0.00 0.00 60.65 59.49 3i4m s ILE 616 Cb -0.04 -0.50 0.03 0.00 -1.06 0.00 0.00 42.46 40.89 3i4m s ILE 616 CO 0.01 0.05 0.35 -0.60 -0.10 0.00 0.00 174.94 174.65 3i4m s ARG 617 N 1.27 3.00 -0.89 2.79 3.52 -1.26 -1.45 118.95 125.92 3i4m s ARG 617 Ca -0.09 -1.03 -0.18 0.00 -0.13 0.00 0.00 55.73 54.30 3i4m s ARG 617 Cb -0.09 -4.01 0.15 0.00 -1.56 0.00 0.00 34.95 29.44 3i4m s ARG 617 CO -0.10 -0.83 1.02 0.34 -0.81 0.00 0.00 175.30 174.92 3i4m s ASP 618 N 1.89 6.64 0.03 -2.12 -1.08 -0.63 -4.90 116.67 116.51 3i4m s ASP 618 Ca 0.06 -2.17 -0.13 0.00 -0.52 0.00 0.00 52.55 49.79 3i4m s ASP 618 Cb -0.20 -2.35 -0.06 0.00 -1.46 0.00 0.00 42.92 38.86 3i4m s ASP 618 CO 0.10 -0.95 1.20 0.40 0.52 0.00 0.00 175.17 176.44 3i4m h ILE 619 N 5.57 0.00 -0.52 4.11 2.04 -1.93 1.66 117.51 128.44 3i4m h ILE 619 Ca 0.12 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.14 3i4m h ILE 619 Cb 1.03 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3i4m h ILE 619 CO 1.02 0.00 0.95 0.03 0.00 0.00 0.00 178.15 180.15 3i4m h ARG 620 N -0.32 0.00 0.00 2.37 3.08 -1.99 2.03 114.38 119.56 3i4m h ARG 620 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i4m h ARG 620 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i4m h ARG 620 CO -0.07 0.00 -1.39 -1.91 -1.07 0.00 0.00 179.97 175.54 3i4m n GLU 621 N -3.04 0.88 -3.01 0.04 4.07 -0.81 -5.05 120.64 113.71 3i4m n GLU 621 Ca 0.11 -0.09 -0.14 0.00 -0.06 0.00 0.00 57.16 56.97 3i4m n GLU 621 Cb 1.12 -1.26 0.02 0.00 -0.06 0.00 0.00 31.44 31.26 3i4m n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3i4m n LYS 622 N -1.81 -2.22 -3.55 5.31 5.02 0.69 -4.99 118.16 116.60 3i4m n LYS 622 Ca -0.01 1.93 -0.17 0.00 -2.02 0.00 0.00 58.31 58.03 3i4m n LYS 622 Cb 0.30 -4.88 -0.06 0.00 -0.02 0.00 0.00 35.03 30.37 3i4m n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3i4m s GLU 623 N -2.63 1.00 -0.30 1.97 2.02 -1.06 -3.93 118.70 115.76 3i4m s GLU 623 Ca 0.26 0.27 0.02 0.00 0.02 0.00 0.00 54.97 55.54 3i4m s GLU 623 Cb -0.06 0.47 0.09 0.00 0.10 0.00 0.00 34.13 34.73 3i4m s GLU 623 CO 0.79 -0.30 0.02 -1.17 0.02 0.00 0.00 175.26 174.63 3i4m s LEU 624 N -1.08 3.65 0.11 1.80 2.96 -0.65 -1.61 118.68 123.86 3i4m s LEU 624 Ca -0.10 -1.78 -0.27 0.00 -0.22 0.00 0.00 54.13 51.76 3i4m s LEU 624 Cb -0.01 -1.37 -0.06 0.00 0.50 0.00 0.00 46.19 45.25 3i4m s LEU 624 CO 0.09 -0.34 0.83 -0.54 -1.32 0.00 0.00 176.35 175.06 3i4m s LYS 625 N 1.17 4.59 -0.04 1.98 -0.14 -0.53 0.25 119.74 127.02 3i4m s LYS 625 Ca 0.05 1.21 -0.01 0.00 -1.36 0.00 0.00 55.97 55.87 3i4m s LYS 625 Cb -0.19 -3.33 0.03 0.00 -1.68 0.00 0.00 37.83 32.66 3i4m s LYS 625 CO -0.11 0.36 0.02 0.42 -0.76 0.00 0.00 175.35 175.28 3i4m s ILE 626 N -0.42 0.12 -0.33 2.17 1.01 0.41 -0.32 121.20 123.84 3i4m s ILE 626 Ca 0.40 0.22 0.01 0.00 0.00 0.00 0.00 60.65 61.28 3i4m s ILE 626 Cb -0.22 -0.29 0.10 0.00 0.01 0.00 0.00 42.46 42.06 3i4m s ILE 626 CO 0.26 0.19 0.08 -0.36 0.00 0.00 0.00 174.94 175.11 3i4m s PHE 627 N 1.68 2.52 -2.68 3.97 2.99 0.52 0.28 117.98 127.25 3i4m s PHE 627 Ca -0.01 -2.25 0.26 0.00 0.00 0.00 0.00 56.93 54.93 3i4m s PHE 627 Cb -0.13 -2.19 0.67 0.00 0.00 0.00 0.00 43.02 41.37 3i4m s PHE 627 CO -0.03 -0.90 1.53 -2.37 -0.00 0.00 0.00 175.22 173.44 3i4m n THR 628 N 4.58 0.03 -0.79 0.64 5.66 -1.26 -1.18 114.28 121.97 3i4m n THR 628 Ca 0.01 -0.37 -0.32 0.00 -3.05 0.00 0.00 64.05 60.31 3i4m n THR 628 Cb 0.42 0.90 0.11 0.00 -1.55 0.00 0.00 70.33 70.21 3i4m n THR 628 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3i4m n ASP 629 N 0.70 -2.67 -4.07 1.09 2.03 -1.26 -1.43 116.55 110.94 3i4m n ASP 629 Ca 0.17 -0.11 -0.29 0.00 0.52 0.00 0.00 54.79 55.08 3i4m n ASP 629 Cb 0.46 -0.73 -0.17 0.00 -0.72 0.00 0.00 41.12 39.96 3i4m n ASP 629 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i4m s ALA 630 N -2.11 1.77 0.00 -1.67 0.00 -1.26 -4.22 121.76 114.27 3i4m s ALA 630 Ca 0.43 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3i4m s ALA 630 Cb -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3i4m s ALA 630 CO 0.59 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.68 3i4m n GLY 631 N 4.21 1.70 3.37 0.00 0.00 -0.55 -4.83 105.19 109.09 3i4m n GLY 631 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3i4m n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4m s ARG 632 N -0.09 3.40 0.17 1.61 0.52 -1.26 -1.94 118.95 121.35 3i4m s ARG 632 Ca 0.00 -0.67 -0.21 0.00 -0.52 0.00 0.00 55.73 54.33 3i4m s ARG 632 Cb 0.00 -2.70 -0.08 0.00 0.52 0.00 0.00 34.95 32.69 3i4m s ARG 632 CO 0.00 0.16 0.70 0.08 0.02 0.00 0.00 175.30 176.25 3i4m s VAL 633 N 0.51 4.55 0.13 3.52 1.01 -1.26 -0.47 120.40 128.40 3i4m s VAL 633 Ca -0.08 1.39 -0.16 0.00 0.00 0.00 0.00 61.98 63.13 3i4m s VAL 633 Cb -0.15 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3i4m s VAL 633 CO 0.04 0.39 0.40 -0.72 0.00 0.00 0.00 175.10 175.21 3i4m s TYR 634 N -1.30 -0.18 0.46 5.22 -0.85 -0.94 -3.35 117.35 116.40 3i4m s TYR 634 Ca 0.37 -0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.81 3i4m s TYR 634 Cb -0.19 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.38 3i4m s TYR 634 CO 0.22 -0.71 0.05 -0.98 -1.52 0.00 0.00 175.55 172.61 3i4m s ARG 635 N -3.81 2.06 -0.08 -3.49 1.70 -1.14 -1.74 118.95 112.44 3i4m s ARG 635 Ca 0.04 -2.27 -0.04 0.00 -0.47 0.00 0.00 55.73 52.99 3i4m s ARG 635 Cb 0.02 -1.21 -0.04 0.00 -0.57 0.00 0.00 34.95 33.15 3i4m s ARG 635 CO -0.11 -0.36 0.08 -1.25 -1.08 0.00 0.00 175.30 172.59 3i4m s PRO 636 N -3.81 3.21 -0.05 3.89 0.04 -1.26 -1.08 135.00 135.95 3i4m s PRO 636 Ca 0.16 -0.30 -0.05 0.00 0.04 0.00 0.00 61.00 60.85 3i4m s PRO 636 Cb 0.03 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.60 3i4m s PRO 636 CO 0.09 0.72 0.13 -0.51 0.04 0.00 0.00 177.00 177.47 3i4m s LEU 637 N -1.17 1.50 -0.06 -3.56 1.43 -0.39 -4.56 118.68 111.87 3i4m s LEU 637 Ca 0.17 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 3i4m s LEU 637 Cb -0.12 0.45 -0.07 0.00 0.03 0.00 0.00 46.19 46.48 3i4m s LEU 637 CO 0.06 -0.05 1.98 -0.36 0.23 0.00 0.00 176.35 178.21 3i4m s PHE 638 N 0.07 1.37 -0.04 0.29 2.99 -0.26 -1.72 117.98 120.68 3i4m s PHE 638 Ca -0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 56.93 56.56 3i4m s PHE 638 Cb -0.01 -4.12 -0.04 0.00 0.00 0.00 0.00 43.02 38.85 3i4m s PHE 638 CO 0.00 -4.84 1.38 0.42 -0.00 0.00 0.00 175.22 172.18 3i4m s ILE 639 N 5.46 3.87 -0.65 0.64 1.01 -0.62 -0.48 121.20 130.44 3i4m s ILE 639 Ca 0.89 1.19 0.05 0.00 0.00 0.00 0.00 60.65 62.78 3i4m s ILE 639 Cb -0.38 -3.77 0.20 0.00 0.01 0.00 0.00 42.46 38.52 3i4m s ILE 639 CO 0.38 -0.03 0.56 0.52 0.00 0.00 0.00 174.94 176.37 3i4m n VAL 640 N 4.90 1.50 -3.45 2.92 0.31 0.23 -0.79 118.33 123.95 3i4m n VAL 640 Ca 0.14 -4.81 -0.31 0.00 -0.01 0.00 0.00 64.34 59.34 3i4m n VAL 640 Cb 0.44 -2.10 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 3i4m n VAL 640 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i4m s GLU 641 N -1.64 3.73 0.00 5.55 0.41 -1.21 -4.37 118.70 121.17 3i4m s GLU 641 Ca 0.31 0.15 0.00 0.00 -0.41 0.00 0.00 54.97 55.01 3i4m s GLU 641 Cb 0.03 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 3i4m s GLU 641 CO -0.12 0.32 0.72 -0.40 -0.49 0.00 0.00 175.26 175.29 3i4m n ASP 642 N -0.27 2.08 0.00 -0.19 5.75 -1.26 -2.99 116.55 119.67 3i4m n ASP 642 Ca -0.01 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 3i4m n ASP 642 Cb 0.53 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 40.26 3i4m n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3i4m n ASP 643 N 0.89 0.00 -4.39 -1.12 8.00 -1.26 -4.56 116.55 114.10 3i4m n ASP 643 Ca 0.00 -0.31 -0.44 0.00 0.71 0.00 0.00 54.79 54.74 3i4m n ASP 643 Cb 0.30 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 3i4m n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i4m s GLU 644 N -2.00 3.00 0.09 -1.24 2.56 -1.23 -4.93 118.70 114.95 3i4m s GLU 644 Ca 0.01 -1.31 -0.29 0.00 0.00 0.00 0.00 54.97 53.38 3i4m s GLU 644 Cb 0.00 -4.14 -0.14 0.00 2.00 0.00 0.00 34.13 31.85 3i4m s GLU 644 CO 0.01 -1.08 1.65 0.66 -0.56 0.00 0.00 175.26 175.94 3i4m h SER 645 N 8.80 -0.62 -0.53 -1.70 4.64 -1.85 -3.30 113.55 118.99 3i4m h SER 645 Ca -0.28 0.05 -0.35 0.00 -0.47 0.00 0.00 61.79 60.73 3i4m h SER 645 Cb 1.11 0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 3i4m h SER 645 CO 0.90 -0.37 1.11 -0.76 -0.87 0.00 0.00 176.83 176.84 3i4m s LEU 646 N -10.18 3.12 0.00 5.97 1.43 -1.26 -4.68 118.68 113.09 3i4m s LEU 646 Ca -0.16 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.34 3i4m s LEU 646 Cb 0.06 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3i4m s LEU 646 CO 0.64 -2.90 0.00 0.61 0.23 0.00 0.00 176.35 174.93 3i4m n GLY 647 N 5.92 0.28 0.00 -3.19 0.00 -1.24 -5.05 105.19 101.90 3i4m n GLY 647 Ca 0.44 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3i4m n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i4m n HIS 648 N 0.00 0.00 -3.96 1.61 1.44 -1.25 -5.00 115.22 108.05 3i4m n HIS 648 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 3i4m n HIS 648 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 3i4m n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3i4m s LYS 649 N 3.17 3.27 -0.00 -1.40 2.20 -1.26 -3.53 119.74 122.19 3i4m s LYS 649 Ca 0.00 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 3i4m s LYS 649 Cb 0.00 -2.96 0.10 0.00 -1.51 0.00 0.00 37.83 33.46 3i4m s LYS 649 CO 0.00 0.61 0.95 -2.00 -0.36 0.00 0.00 175.35 174.55 3i4m s GLU 650 N -2.34 0.81 0.16 4.03 2.56 -1.16 -4.91 118.70 117.85 3i4m s GLU 650 Ca 0.32 -0.33 -0.34 0.00 0.00 0.00 0.00 54.97 54.61 3i4m s GLU 650 Cb -0.13 0.35 -0.14 0.00 2.00 0.00 0.00 34.13 36.21 3i4m s GLU 650 CO 0.24 -0.36 1.58 1.28 -0.56 0.00 0.00 175.26 177.44 3i4m n LEU 651 N -0.27 3.09 -1.19 2.70 4.77 -1.26 -3.35 117.00 121.49 3i4m n LEU 651 Ca -0.07 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 3i4m n LEU 651 Cb 0.61 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 3i4m n LEU 651 CO 0.11 -0.29 0.46 1.17 -1.33 0.00 0.00 177.39 177.51 3i4m n LYS 652 N 3.44 0.71 -3.79 3.23 4.81 0.03 -4.55 118.16 122.03 3i4m n LYS 652 Ca 0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.48 3i4m n LYS 652 Cb 0.29 -1.14 -0.11 0.00 0.02 0.00 0.00 35.03 34.09 3i4m n LYS 652 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3i4m s VAL 653 N 0.37 0.03 0.12 3.15 1.01 -1.26 -4.57 120.40 119.25 3i4m s VAL 653 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3i4m s VAL 653 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3i4m s VAL 653 CO 0.00 -0.12 -0.03 -0.13 0.00 0.00 0.00 175.10 174.83 3i4m s ARG 654 N -0.42 0.92 0.57 2.72 1.81 -1.26 -4.75 118.95 118.53 3i4m s ARG 654 Ca -0.05 -1.40 0.03 0.00 -1.72 0.00 0.00 55.73 52.58 3i4m s ARG 654 Cb -0.04 -0.14 0.16 0.00 -0.45 0.00 0.00 34.95 34.49 3i4m s ARG 654 CO 0.01 -0.09 1.03 -0.22 -0.68 0.00 0.00 175.30 175.35 3i4m h LYS 655 N 2.88 0.00 0.00 3.54 1.63 -1.03 1.84 116.57 125.44 3i4m h LYS 655 Ca -0.36 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 3i4m h LYS 655 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3i4m h LYS 655 CO 0.63 0.00 -0.00 0.78 -3.45 0.00 0.00 179.45 177.41 3i4m h GLY 656 N 0.00 -0.01 -0.90 5.01 0.00 -1.78 -2.75 103.07 102.64 3i4m h GLY 656 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 3i4m h GLY 656 CO 0.00 -0.00 -0.24 1.42 0.00 0.00 0.00 176.54 177.72 3i4m n HIS 657 N -4.78 0.30 0.04 5.60 8.25 0.62 -0.30 115.22 124.95 3i4m n HIS 657 Ca -0.00 1.10 -0.04 0.00 -0.26 0.00 0.00 57.72 58.51 3i4m n HIS 657 Cb 0.02 -1.01 -0.02 0.00 1.12 0.00 0.00 29.99 30.10 3i4m n HIS 657 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3i4m h ILE 658 N 0.00 0.00 -0.85 1.59 2.04 -1.44 -1.18 117.51 117.67 3i4m h ILE 658 Ca 0.42 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.51 3i4m h ILE 658 Cb 0.65 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3i4m h ILE 658 CO -0.92 0.00 0.60 0.00 0.00 0.00 0.00 178.15 177.82 3i4m h ALA 659 N -1.39 2.62 0.00 1.87 0.00 -0.81 0.98 119.26 122.53 3i4m h ALA 659 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i4m h ALA 659 Cb 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i4m h ALA 659 CO -0.05 -0.87 -0.16 -0.22 0.00 0.00 0.00 179.25 177.95 3i4m h LYS 660 N 0.12 0.00 0.00 0.00 3.64 0.19 -0.77 116.57 119.75 3i4m h LYS 660 Ca 0.42 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 3i4m h LYS 660 Cb 1.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 3i4m h LYS 660 CO -0.06 0.16 -0.35 -0.07 -2.27 0.00 0.00 179.45 176.86 3i4m h LEU 661 N 0.00 0.00 -1.19 5.20 3.38 0.21 -3.30 115.31 119.61 3i4m h LEU 661 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3i4m h LEU 661 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3i4m h LEU 661 CO 0.02 0.79 0.25 0.24 0.09 0.00 0.00 178.44 179.83 3i4m h MET 662 N -1.00 0.00 0.44 1.13 2.86 -1.04 0.81 114.93 118.13 3i4m h MET 662 Ca -0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3i4m h MET 662 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3i4m h MET 662 CO -0.03 0.00 -0.21 0.00 1.06 0.00 0.00 176.91 177.73 3i4m h ALA 663 N 1.36 -0.60 -0.08 6.32 0.00 -1.21 -0.32 119.26 124.74 3i4m h ALA 663 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3i4m h ALA 663 Cb 0.50 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3i4m h ALA 663 CO 0.00 -0.79 -0.44 1.15 0.00 0.00 0.00 179.25 179.18 3i4m h THR 664 N -0.69 1.32 -0.87 0.00 2.02 0.45 -2.50 112.91 112.63 3i4m h THR 664 Ca -0.06 -1.56 0.09 0.00 0.77 0.00 0.00 66.41 65.64 3i4m h THR 664 Cb 0.51 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.59 3i4m h THR 664 CO 0.10 0.46 0.52 -0.33 0.37 0.00 0.00 175.52 176.64 3i4m h GLU 665 N 0.15 0.86 0.58 6.66 5.08 -0.83 -0.54 114.58 126.53 3i4m h GLU 665 Ca 0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3i4m h GLU 665 Cb 0.83 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3i4m h GLU 665 CO 0.06 0.57 -0.34 -0.92 -1.00 0.00 0.00 179.01 177.39 3i4m h TYR 666 N 0.89 -0.89 -0.36 4.33 3.20 -0.59 -2.95 116.97 120.59 3i4m h TYR 666 Ca 0.41 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.11 3i4m h TYR 666 Cb 0.33 0.31 -0.10 0.00 1.54 0.00 0.00 36.73 38.81 3i4m h TYR 666 CO -0.04 -0.51 0.20 0.00 -1.64 0.00 0.00 178.16 176.17 3i4m n GLN 667 N -4.49 1.77 -4.07 1.82 10.64 -1.16 -5.13 117.38 116.76 3i4m n GLN 667 Ca -0.10 -1.23 -0.28 0.00 -1.83 0.00 0.00 57.00 53.56 3i4m n GLN 667 Cb 0.35 -1.56 -0.04 0.00 -0.86 0.00 0.00 30.24 28.13 3i4m n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3i4m n ASP 668 N -0.07 -0.25 0.00 2.61 10.43 -0.22 -5.04 116.55 124.01 3i4m n ASP 668 Ca 0.21 -1.07 0.00 0.00 2.57 0.00 0.00 54.79 56.50 3i4m n ASP 668 Cb 0.90 -2.67 0.00 0.00 1.84 0.00 0.00 41.12 41.19 3i4m n ASP 668 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3i4m n GLU 678 N -4.44 0.00 -3.39 -1.24 2.13 -1.26 -4.95 120.64 107.48 3i4m n GLU 678 Ca -0.28 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.09 3i4m n GLU 678 Cb 0.67 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.35 3i4m n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3i4m s TYR 679 N 0.00 3.84 1.13 4.31 5.04 -1.26 -5.06 117.35 125.35 3i4m s TYR 679 Ca 0.00 -2.29 -0.19 0.00 -2.44 0.00 0.00 57.07 52.15 3i4m s TYR 679 Cb 0.00 -3.72 0.28 0.00 0.35 0.00 0.00 41.96 38.87 3i4m s TYR 679 CO 0.00 -0.95 1.06 -2.37 -1.34 0.00 0.00 175.55 171.95 3i4m n THR 680 N 3.55 0.00 -0.04 4.34 5.66 -1.26 -4.72 114.28 121.81 3i4m n THR 680 Ca 0.16 -0.52 -0.16 0.00 -3.05 0.00 0.00 64.05 60.47 3i4m n THR 680 Cb 0.44 -1.27 -0.13 0.00 -1.55 0.00 0.00 70.33 67.82 3i4m n THR 680 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 3i4m h TRP 681 N -2.54 0.16 -1.19 1.09 2.91 -1.94 -3.25 115.95 111.19 3i4m h TRP 681 Ca -0.39 -0.11 0.34 0.00 1.13 0.00 0.00 58.89 59.86 3i4m h TRP 681 Cb 1.18 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.77 3i4m h TRP 681 CO 0.00 1.13 0.88 1.03 -1.03 0.00 0.00 178.44 180.46 3i4m h SER 682 N -0.81 0.00 -0.15 2.65 0.87 -1.94 1.29 113.55 115.45 3i4m h SER 682 Ca -0.07 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.41 3i4m h SER 682 Cb 1.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3i4m h SER 682 CO 0.03 0.00 -0.20 0.77 -0.53 0.00 0.00 176.83 176.90 3i4m h SER 683 N 0.00 0.43 0.00 6.23 4.64 -1.94 -2.19 113.55 120.72 3i4m h SER 683 Ca 0.56 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3i4m h SER 683 Cb 2.32 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 64.29 3i4m h SER 683 CO -0.01 0.86 0.14 0.18 -0.87 0.00 0.00 176.83 177.14 3i4m n LEU 684 N -4.49 0.30 -0.03 5.97 4.77 0.44 0.23 117.00 124.18 3i4m n LEU 684 Ca -0.06 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 3i4m n LEU 684 Cb 0.40 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3i4m n LEU 684 CO 0.40 -0.67 -0.18 -0.11 -1.33 0.00 0.00 177.39 175.50 3i4m n LEU 685 N -1.90 0.85 -0.01 2.23 7.94 -0.92 -2.27 117.00 122.92 3i4m n LEU 685 Ca -0.01 0.39 0.13 0.00 -1.11 0.00 0.00 56.01 55.42 3i4m n LEU 685 Cb 0.16 -0.67 0.57 0.00 0.53 0.00 0.00 43.42 44.02 3i4m n LEU 685 CO 0.05 -0.48 1.17 0.78 -1.11 0.00 0.00 177.39 177.81 3i4m h ASN 686 N -0.47 0.22 0.00 1.96 2.35 -1.01 0.40 115.58 119.03 3i4m h ASN 686 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i4m h ASN 686 Cb 0.27 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3i4m h ASN 686 CO 0.00 0.13 0.00 -0.62 -1.65 0.00 0.00 177.43 175.29 3i4m n GLU 687 N -4.45 0.54 -4.02 0.81 1.02 0.13 -4.30 120.64 110.37 3i4m n GLU 687 Ca 0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.87 3i4m n GLU 687 Cb 0.39 -1.26 -0.06 0.00 -0.02 0.00 0.00 31.44 30.48 3i4m n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 688 N 0.33 -0.36 0.10 0.62 0.00 0.14 -4.77 105.19 101.25 3i4m n GLY 688 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3i4m n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 689 N -3.51 1.17 -3.83 0.99 4.77 -1.14 -4.89 117.00 110.56 3i4m n LEU 689 Ca 0.10 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 3i4m n LEU 689 Cb 0.40 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 3i4m n LEU 689 CO 0.78 0.53 -0.14 -0.69 -1.33 0.00 0.00 177.39 176.55 3i4m s VAL 690 N -2.56 0.05 0.25 4.08 1.01 -0.96 -1.59 120.40 120.67 3i4m s VAL 690 Ca -0.11 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.59 3i4m s VAL 690 Cb 0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3i4m s VAL 690 CO 0.80 -0.22 -0.15 -1.61 0.00 0.00 0.00 175.10 173.92 3i4m s GLU 691 N -0.79 1.83 -0.98 2.72 2.02 -0.70 -4.58 118.70 118.22 3i4m s GLU 691 Ca -0.09 -1.58 -0.16 0.00 0.02 0.00 0.00 54.97 53.17 3i4m s GLU 691 Cb -0.05 -1.92 0.18 0.00 0.10 0.00 0.00 34.13 32.44 3i4m s GLU 691 CO 0.01 0.36 1.10 0.71 0.02 0.00 0.00 175.26 177.47 3i4m s TYR 692 N -2.20 3.47 -0.52 1.61 4.12 -1.25 -1.26 117.35 121.32 3i4m s TYR 692 Ca 0.28 -1.82 -0.27 0.00 0.02 0.00 0.00 57.07 55.28 3i4m s TYR 692 Cb -0.06 -4.13 -0.01 0.00 -1.52 0.00 0.00 41.96 36.23 3i4m s TYR 692 CO 0.15 -1.30 1.77 0.42 0.02 0.00 0.00 175.55 176.61 3i4m s ILE 693 N 1.46 3.47 1.25 2.71 1.01 -0.24 -4.81 121.20 126.04 3i4m s ILE 693 Ca 0.31 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 61.15 3i4m s ILE 693 Cb -0.06 -3.93 0.28 0.00 0.01 0.00 0.00 42.46 38.76 3i4m s ILE 693 CO -0.07 -0.79 0.68 -0.67 0.00 0.00 0.00 174.94 174.08 3i4m n ASP 694 N 11.49 -2.89 -0.01 3.58 -0.08 -1.26 -2.91 116.55 124.48 3i4m n ASP 694 Ca 0.20 -0.44 -0.10 0.00 -1.51 0.00 0.00 54.79 52.95 3i4m n ASP 694 Cb 0.50 -1.04 -0.08 0.00 2.34 0.00 0.00 41.12 42.84 3i4m n ASP 694 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i4m h ALA 695 N -2.92 -0.10 0.13 -1.67 0.00 -1.90 -2.54 119.26 110.27 3i4m h ALA 695 Ca -0.49 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.16 3i4m h ALA 695 Cb 1.26 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3i4m h ALA 695 CO 0.35 -0.14 -0.52 1.49 0.00 0.00 0.00 179.25 180.43 3i4m h GLU 696 N -0.92 -0.73 -1.01 0.00 4.57 -1.91 -1.56 114.58 113.02 3i4m h GLU 696 Ca -0.01 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.42 3i4m h GLU 696 Cb 0.57 0.17 -0.11 0.00 -0.16 0.00 0.00 28.75 29.22 3i4m h GLU 696 CO 0.02 -0.49 0.61 1.49 -1.18 0.00 0.00 179.01 179.46 3i4m h GLU 697 N -0.76 0.72 -1.00 1.92 4.81 -1.86 1.00 114.58 119.41 3i4m h GLU 697 Ca -0.00 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.41 3i4m h GLU 697 Cb 0.76 -0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.88 3i4m h GLU 697 CO -0.28 0.48 0.62 1.49 -0.73 0.00 0.00 179.01 180.59 3i4m h GLU 698 N 0.74 0.55 -1.27 1.92 4.81 -0.82 -0.21 114.58 120.29 3i4m h GLU 698 Ca 0.59 -0.03 0.37 0.00 -0.13 0.00 0.00 59.36 60.15 3i4m h GLU 698 Cb 0.95 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 3i4m h GLU 698 CO -0.39 0.37 1.04 0.93 -0.73 0.00 0.00 179.01 180.22 3i4m h GLU 699 N 0.57 0.00 -2.13 1.92 4.39 -0.71 -2.38 114.58 116.23 3i4m h GLU 699 Ca 0.58 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.61 3i4m h GLU 699 Cb 1.18 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.47 3i4m h GLU 699 CO -0.34 0.00 0.03 -1.13 -1.16 0.00 0.00 179.01 176.40 3i4m n SER 700 N -3.84 5.71 -2.95 1.42 3.41 -0.09 -5.01 113.62 112.27 3i4m n SER 700 Ca 0.28 -3.71 -0.11 0.00 -0.26 0.00 0.00 58.87 55.07 3i4m n SER 700 Cb 1.44 -0.78 0.01 0.00 -0.26 0.00 0.00 64.21 64.62 3i4m n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3i4m s ILE 701 N -4.67 0.00 -0.02 -1.33 -4.36 -0.90 -5.03 121.20 104.89 3i4m s ILE 701 Ca 0.46 -1.16 -0.00 0.00 -0.26 0.00 0.00 60.65 59.69 3i4m s ILE 701 Cb 0.29 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 41.16 3i4m s ILE 701 CO -0.17 0.00 0.03 -0.22 0.24 0.00 0.00 174.94 174.82 3i4m s LEU 702 N -3.13 1.27 -0.04 0.37 2.96 -1.26 -4.98 118.68 113.87 3i4m s LEU 702 Ca 0.20 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 3i4m s LEU 702 Cb -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.61 3i4m s LEU 702 CO 0.14 -0.10 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.21 3i4m s ILE 703 N 0.82 1.89 -0.13 6.68 1.01 -1.26 -0.94 121.20 129.28 3i4m s ILE 703 Ca -0.07 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 3i4m s ILE 703 Cb -0.10 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3i4m s ILE 703 CO -0.02 0.53 0.60 0.00 0.00 0.00 0.00 174.94 176.04 3i4m s ALA 704 N -0.27 3.45 0.00 9.38 0.00 -0.91 -4.92 121.76 128.50 3i4m s ALA 704 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3i4m s ALA 704 Cb -0.12 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3i4m s ALA 704 CO 0.02 -0.22 0.00 -0.12 0.00 0.00 0.00 175.76 175.44 3i4m n MET 705 N 4.17 0.00 -2.13 0.00 1.56 -1.26 -1.34 117.12 118.12 3i4m n MET 705 Ca -0.03 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.98 3i4m n MET 705 Cb 0.51 -0.39 -0.03 0.00 2.15 0.00 0.00 33.22 35.46 3i4m n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3i4m s GLN 706 N 0.00 4.30 0.00 2.12 1.11 -1.26 -3.69 119.66 122.24 3i4m s GLN 706 Ca 0.00 2.12 0.00 0.00 0.01 0.00 0.00 55.36 57.49 3i4m s GLN 706 Cb 0.00 -3.23 0.00 0.00 -1.01 0.00 0.00 33.01 28.77 3i4m s GLN 706 CO 0.00 -0.46 0.38 -0.35 0.01 0.00 0.00 175.29 174.87 3i4m n PRO 707 N 3.92 0.00 0.00 2.91 -0.04 -1.26 -3.83 135.00 136.70 3i4m n PRO 707 Ca 0.12 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3i4m n PRO 707 Cb 0.42 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 3i4m n PRO 707 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i4m n GLU 708 N -0.58 0.00 0.00 0.54 0.28 -1.26 -3.79 120.64 115.83 3i4m n GLU 708 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i4m n GLU 708 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3i4m n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3i4m n ASP 709 N 0.00 0.00 -2.02 -1.84 8.00 -1.26 -1.79 116.55 117.64 3i4m n ASP 709 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 3i4m n ASP 709 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3i4m n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i4m n LEU 710 N 0.00 3.07 0.00 0.64 4.77 -1.25 -4.30 117.00 119.93 3i4m n LEU 710 Ca 0.00 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 3i4m n LEU 710 Cb 0.00 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 3i4m n LEU 710 CO 0.00 0.70 0.00 -0.62 -1.33 0.00 0.00 177.39 176.14 3i4m n GLU 711 N 2.33 0.00 0.00 3.23 -0.58 -0.74 -4.88 120.64 119.99 3i4m n GLU 711 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 3i4m n GLU 711 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 3i4m n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i4m n PRO 712 N -1.46 0.76 0.00 3.49 -0.04 -1.26 -5.06 135.00 131.43 3i4m n PRO 712 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i4m n PRO 712 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i4m n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4m n ALA 713 N -2.70 0.00 -4.27 0.55 0.00 -1.26 -5.03 120.51 107.80 3i4m n ALA 713 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3i4m n ALA 713 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3i4m n ALA 713 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i4m n GLU 714 N 0.00 0.43 0.00 0.00 0.00 -1.26 -5.11 120.64 114.70 3i4m n GLU 714 Ca 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 57.16 53.88 3i4m n GLU 714 Cb 0.00 2.54 0.00 0.00 0.00 0.00 0.00 31.44 33.98 3i4m n GLU 714 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i4m n ALA 715 N -0.82 2.68 0.00 -1.84 0.00 -1.26 -5.32 120.51 113.95 3i4m n ALA 715 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i4m n ALA 715 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3i4m n ALA 715 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i4m n ASP 722 N -2.02 0.00 -3.33 0.00 5.75 -1.26 -5.38 116.55 110.31 3i4m n ASP 722 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.51 3i4m n ASP 722 Cb 0.00 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.33 3i4m n ASP 722 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3i4m n VAL 723 N 1.00 0.00 -3.04 2.12 0.31 -1.26 -4.97 118.33 112.49 3i4m n VAL 723 Ca 0.00 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.70 3i4m n VAL 723 Cb 0.00 -1.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 3i4m n VAL 723 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i4m s ASP 724 N -3.59 6.81 0.62 4.52 -1.08 -1.26 -4.96 116.67 117.73 3i4m s ASP 724 Ca 0.62 0.98 0.39 0.00 -0.52 0.00 0.00 52.55 54.02 3i4m s ASP 724 Cb -0.08 -2.39 2.09 0.00 -1.46 0.00 0.00 42.92 41.08 3i4m s ASP 724 CO 0.49 -0.29 2.28 1.55 0.52 0.00 0.00 175.17 179.72 3i4m h PRO 725 N 7.33 0.00 0.15 4.34 0.13 -1.95 -3.00 132.00 139.01 3i4m h PRO 725 Ca -0.32 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.53 3i4m h PRO 725 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 3i4m h PRO 725 CO 0.79 0.01 -1.35 0.00 -0.23 0.00 0.00 178.00 177.23 3i4m h ALA 726 N 1.99 0.08 -1.90 -0.56 0.00 -2.01 -3.47 119.26 113.38 3i4m h ALA 726 Ca -0.00 -0.99 -0.39 0.00 0.00 0.00 0.00 54.91 53.53 3i4m h ALA 726 Cb 0.10 0.36 0.21 0.00 0.00 0.00 0.00 17.79 18.46 3i4m h ALA 726 CO 0.00 0.75 -0.31 1.63 0.00 0.00 0.00 179.25 181.32 3i4m n LYS 727 N -3.89 -3.09 0.00 0.00 5.02 -1.13 -4.90 118.16 110.17 3i4m n LYS 727 Ca -0.22 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.18 3i4m n LYS 727 Cb 0.94 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3i4m n LYS 727 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3i4m n ARG 728 N -4.33 0.83 -3.20 1.97 1.85 -1.26 -4.99 116.66 107.53 3i4m n ARG 728 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.90 3i4m n ARG 728 Cb 0.55 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.94 3i4m n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3i4m s ILE 729 N 0.00 -0.88 0.05 8.89 1.01 -1.26 -4.99 121.20 124.02 3i4m s ILE 729 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3i4m s ILE 729 Cb 0.00 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3i4m s ILE 729 CO 0.00 -0.10 0.15 -0.13 0.00 0.00 0.00 174.94 174.86 3i4m s ARG 730 N 2.68 3.20 1.15 2.79 0.52 -1.26 -5.10 118.95 122.94 3i4m s ARG 730 Ca 0.10 -0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 54.66 3i4m s ARG 730 Cb -0.11 -2.92 0.25 0.00 0.52 0.00 0.00 34.95 32.70 3i4m s ARG 730 CO -0.26 0.60 0.85 0.28 0.02 0.00 0.00 175.30 176.79 3i4m n VAL 731 N 0.51 0.00 -1.88 3.52 0.31 -1.26 -5.02 118.33 114.51 3i4m n VAL 731 Ca -0.08 -0.40 -0.23 0.00 -0.01 0.00 0.00 64.34 63.62 3i4m n VAL 731 Cb 0.52 -0.93 0.16 0.00 -0.91 0.00 0.00 33.84 32.67 3i4m n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3i4m n SER 732 N -4.35 0.25 -2.41 4.52 7.64 -1.26 -4.98 113.62 113.04 3i4m n SER 732 Ca 0.03 -1.48 -0.26 0.00 1.01 0.00 0.00 58.87 58.17 3i4m n SER 732 Cb 0.55 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 3i4m n SER 732 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m n HIS 733 N -3.35 1.70 -1.20 1.43 1.44 -1.26 -4.97 115.22 109.00 3i4m n HIS 733 Ca 0.14 -2.00 -0.36 0.00 -2.01 0.00 0.00 57.72 53.49 3i4m n HIS 733 Cb 0.47 -1.31 0.07 0.00 0.12 0.00 0.00 29.99 29.35 3i4m n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3i4m n HIS 734 N 0.67 -0.96 -1.04 -1.40 8.25 -1.26 -4.81 115.22 114.67 3i4m n HIS 734 Ca 0.46 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 58.26 3i4m n HIS 734 Cb 0.54 -1.89 -0.00 0.00 1.12 0.00 0.00 29.99 29.76 3i4m n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4m n ALA 735 N -2.52 -0.10 -1.71 -1.41 0.00 -1.26 -4.82 120.51 108.69 3i4m n ALA 735 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3i4m n ALA 735 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3i4m n ALA 735 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i4m n THR 736 N -0.47 0.00 0.38 0.00 -1.04 -1.26 -4.86 114.28 107.03 3i4m n THR 736 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 3i4m n THR 736 Cb 0.01 0.34 0.20 0.00 -1.82 0.00 0.00 70.33 69.05 3i4m n THR 736 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i4m n THR 737 N 0.00 0.77 -1.31 12.58 -2.24 -1.26 -4.85 114.28 117.97 3i4m n THR 737 Ca 0.00 0.19 -0.51 0.00 -2.27 0.00 0.00 64.05 61.46 3i4m n THR 737 Cb 0.46 -1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 3i4m n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i4m n PHE 738 N -1.26 0.49 -0.09 4.78 3.01 -1.26 -4.74 117.46 118.40 3i4m n PHE 738 Ca 0.04 0.92 -0.17 0.00 1.01 0.00 0.00 57.45 59.25 3i4m n PHE 738 Cb 0.06 -1.82 -0.06 0.00 -0.01 0.00 0.00 39.48 37.64 3i4m n PHE 738 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3i4m n THR 739 N 1.22 0.94 -4.37 4.37 -2.24 -0.11 -4.74 114.28 109.35 3i4m n THR 739 Ca 0.17 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 3i4m n THR 739 Cb 0.08 -1.58 -0.04 0.00 -2.10 0.00 0.00 70.33 66.68 3i4m n THR 739 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3i4m n HIS 740 N -3.59 0.33 -3.77 4.78 8.25 -0.85 0.76 115.22 121.13 3i4m n HIS 740 Ca -0.33 -1.61 -0.12 0.00 -0.26 0.00 0.00 57.72 55.40 3i4m n HIS 740 Cb 0.76 -0.08 -0.08 0.00 1.12 0.00 0.00 29.99 31.70 3i4m n HIS 740 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4m s GLU 742 N -1.91 4.53 0.11 0.00 2.56 -0.45 -1.10 118.70 122.44 3i4m s GLU 742 Ca -0.10 1.56 -0.27 0.00 0.00 0.00 0.00 54.97 56.17 3i4m s GLU 742 Cb -0.03 -3.40 -0.08 0.00 2.00 0.00 0.00 34.13 32.61 3i4m s GLU 742 CO 0.01 -0.09 1.64 0.82 -0.56 0.00 0.00 175.26 177.08 3i4m h ILE 743 N 4.58 0.46 -1.47 -3.70 1.08 -1.86 -3.40 117.51 113.19 3i4m h ILE 743 Ca -0.42 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.16 3i4m h ILE 743 Cb 1.22 0.46 -0.28 0.00 -3.07 0.00 0.00 36.82 35.15 3i4m h ILE 743 CO 0.77 0.00 0.49 -2.28 -0.69 0.00 0.00 178.15 176.44 3i4m s HIS 744 N -6.07 -0.44 0.36 1.37 2.46 -1.26 -4.78 115.29 106.92 3i4m s HIS 744 Ca -0.15 0.97 0.05 0.00 0.47 0.00 0.00 55.06 56.40 3i4m s HIS 744 Cb 0.08 0.34 0.72 0.00 -0.13 0.00 0.00 32.58 33.60 3i4m s HIS 744 CO 0.65 -0.22 1.95 -1.00 -2.47 0.00 0.00 174.74 173.66 3i4m h PRO 745 N 4.99 0.76 0.00 2.88 0.13 -1.89 -2.35 132.00 136.52 3i4m h PRO 745 Ca -0.28 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3i4m h PRO 745 Cb 1.18 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3i4m h PRO 745 CO 0.16 0.50 0.16 -1.13 -0.23 0.00 0.00 178.00 177.47 3i4m n SER 746 N -4.48 0.00 -0.66 1.44 3.41 -1.26 -0.83 113.62 111.24 3i4m n SER 746 Ca 0.11 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 3i4m n SER 746 Cb 0.22 -0.12 0.36 0.00 -0.26 0.00 0.00 64.21 64.41 3i4m n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3i4m n MET 747 N -1.00 1.87 0.13 4.33 2.81 -0.88 -3.50 117.12 120.88 3i4m n MET 747 Ca 0.00 -1.31 0.01 0.00 -1.81 0.00 0.00 57.70 54.60 3i4m n MET 747 Cb 0.16 -1.43 0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3i4m n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 3i4m h ILE 748 N 2.73 0.97 -4.05 2.02 3.07 -1.25 -3.30 117.51 117.71 3i4m h ILE 748 Ca 0.00 -2.35 -0.49 0.00 1.55 0.00 0.00 64.86 63.57 3i4m h ILE 748 Cb 0.59 2.46 0.05 0.00 -0.27 0.00 0.00 36.82 39.66 3i4m h ILE 748 CO 0.00 0.55 0.43 -0.76 -1.05 0.00 0.00 178.15 177.32 3i4m s LEU 749 N -6.51 3.88 0.33 0.16 1.43 -1.23 -3.63 118.68 113.11 3i4m s LEU 749 Ca 0.03 2.13 0.07 0.00 -1.03 0.00 0.00 54.13 55.34 3i4m s LEU 749 Cb 0.08 -4.45 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 3i4m s LEU 749 CO 0.75 -0.95 0.34 -0.83 0.23 0.00 0.00 176.35 175.89 3i4m s GLY 750 N -1.70 1.70 0.00 -3.19 0.00 -1.26 -2.53 107.32 100.34 3i4m s GLY 750 Ca 0.67 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3i4m s GLY 750 CO 0.27 -1.51 0.02 -0.62 0.00 0.00 0.00 173.10 171.26 3i4m n VAL 751 N -1.45 0.00 0.00 1.40 0.31 -1.26 -1.73 118.33 115.61 3i4m n VAL 751 Ca -0.02 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3i4m n VAL 751 Cb 0.59 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3i4m n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4m n ALA 752 N -0.44 0.00 -0.32 3.52 0.00 -1.26 0.32 120.51 122.33 3i4m n ALA 752 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i4m n ALA 752 Cb 0.00 0.05 0.07 0.00 0.00 0.00 0.00 19.45 19.57 3i4m n ALA 752 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m h ALA 753 N -0.23 0.31 0.00 0.00 0.00 -1.66 -0.59 119.26 117.09 3i4m h ALA 753 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i4m h ALA 753 Cb 0.00 0.82 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i4m h ALA 753 CO 0.00 -0.53 0.69 0.77 0.00 0.00 0.00 179.25 180.18 3i4m h SER 754 N -0.03 0.00 0.40 0.00 0.02 0.45 0.99 113.55 115.38 3i4m h SER 754 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3i4m h SER 754 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3i4m h SER 754 CO -0.89 0.00 -0.49 -0.38 -1.14 0.00 0.00 176.83 173.92 3i4m n ILE 755 N -2.59 0.00 -2.60 3.27 5.41 -0.23 -4.52 119.36 118.10 3i4m n ILE 755 Ca -0.01 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.29 3i4m n ILE 755 Cb 0.71 0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 39.97 3i4m n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3i4m s ILE 756 N -2.90 4.58 -0.08 1.39 1.01 0.34 -4.91 121.20 120.63 3i4m s ILE 756 Ca 0.13 1.88 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 3i4m s ILE 756 Cb 0.18 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3i4m s ILE 756 CO 0.68 -0.06 1.27 -2.16 0.00 0.00 0.00 174.94 174.67 3i4m s PRO 757 N 2.50 4.30 -1.38 2.79 0.04 -1.26 -3.82 135.00 138.16 3i4m s PRO 757 Ca 0.50 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.19 3i4m s PRO 757 Cb -0.19 -3.65 0.03 0.00 0.04 0.00 0.00 34.50 30.73 3i4m s PRO 757 CO 0.16 -0.57 1.04 1.19 0.04 0.00 0.00 177.00 178.86 3i4m n PHE 758 N 5.77 -2.49 0.11 0.56 0.99 -1.26 -4.77 117.46 116.36 3i4m n PHE 758 Ca 0.12 0.95 0.19 0.00 -0.00 0.00 0.00 57.45 58.72 3i4m n PHE 758 Cb 0.45 -4.66 0.63 0.00 -1.00 0.00 0.00 39.48 34.91 3i4m n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3i4m h PRO 759 N -2.30 0.00 -2.18 -1.08 0.13 -1.87 -0.41 132.00 124.29 3i4m h PRO 759 Ca -0.58 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.10 3i4m h PRO 759 Cb 1.37 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.38 3i4m h PRO 759 CO 0.58 0.00 0.76 -0.40 -0.23 0.00 0.00 178.00 178.71 3i4m n ASP 760 N -3.32 6.53 0.00 1.44 5.75 -1.26 -3.14 116.55 122.54 3i4m n ASP 760 Ca 0.08 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 3i4m n ASP 760 Cb 0.79 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 3i4m n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i4m n HIS 761 N 1.76 0.00 -4.51 2.11 8.25 -0.16 -5.05 115.22 117.62 3i4m n HIS 761 Ca 0.52 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.72 3i4m n HIS 761 Cb 0.59 0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.69 3i4m n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3i4m s ASN 762 N 0.00 3.77 -0.05 0.41 0.01 -1.19 -3.39 114.94 114.50 3i4m s ASN 762 Ca 0.00 -1.14 -0.30 0.00 -0.71 0.00 0.00 52.86 50.71 3i4m s ASN 762 Cb 0.00 -0.37 -0.06 0.00 0.41 0.00 0.00 41.25 41.23 3i4m s ASN 762 CO 0.00 -0.17 1.73 -1.58 -1.51 0.00 0.00 177.10 175.57 3i4m s GLN 763 N -3.61 4.13 0.07 -0.60 0.74 -1.09 -4.87 119.66 114.43 3i4m s GLN 763 Ca 0.32 2.25 -0.06 0.00 0.05 0.00 0.00 55.36 57.92 3i4m s GLN 763 Cb 0.01 -4.03 0.06 0.00 1.10 0.00 0.00 33.01 30.15 3i4m s GLN 763 CO 0.17 -0.91 0.47 0.45 -0.55 0.00 0.00 175.29 174.91 3i4m n SER 764 N 7.36 -0.21 0.24 6.67 2.88 -1.26 0.61 113.62 129.90 3i4m n SER 764 Ca 0.18 0.53 0.09 0.00 -1.33 0.00 0.00 58.87 58.35 3i4m n SER 764 Cb 0.43 -0.12 0.59 0.00 -0.75 0.00 0.00 64.21 64.36 3i4m n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i4m h PRO 765 N 0.00 0.00 -0.61 -1.46 0.13 -1.98 -3.10 132.00 124.98 3i4m h PRO 765 Ca 0.10 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.34 3i4m h PRO 765 Cb 0.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.22 3i4m h PRO 765 CO -0.30 0.19 0.17 0.00 -0.23 0.00 0.00 178.00 177.83 3i4m h ARG 766 N 0.00 0.31 0.00 0.86 2.47 -0.19 0.30 114.38 118.12 3i4m h ARG 766 Ca -0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3i4m h ARG 766 Cb 0.44 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3i4m h ARG 766 CO 0.02 0.20 0.00 0.09 0.56 0.00 0.00 179.97 180.85 3i4m n ASN 767 N -5.08 0.34 0.04 7.04 3.02 -1.17 -1.47 115.26 117.98 3i4m n ASN 767 Ca 0.09 0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 55.08 3i4m n ASN 767 Cb 0.31 -0.69 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 3i4m n ASN 767 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3i4m h THR 768 N 0.00 1.47 0.29 3.41 2.02 -0.54 -3.16 112.91 116.40 3i4m h THR 768 Ca 0.00 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.66 3i4m h THR 768 Cb 0.07 3.16 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 3i4m h THR 768 CO 0.00 0.71 -0.44 1.88 0.37 0.00 0.00 175.52 178.04 3i4m h TYR 769 N -0.38 -1.23 -0.54 3.16 0.05 -1.10 0.16 116.97 117.10 3i4m h TYR 769 Ca -0.16 0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.80 3i4m h TYR 769 Cb 1.64 0.50 -0.02 0.00 1.01 0.00 0.00 36.73 39.86 3i4m h TYR 769 CO 0.19 -0.57 0.59 0.37 -1.05 0.00 0.00 178.16 177.69 3i4m h GLN 770 N -0.79 0.00 0.00 4.88 5.75 -1.65 1.60 115.11 124.90 3i4m h GLN 770 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3i4m h GLN 770 Cb 0.75 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.30 3i4m h GLN 770 CO -0.15 0.00 0.00 0.43 -2.65 0.00 0.00 178.83 176.46 3i4m n SER 771 N -3.65 0.00 -0.05 -0.69 7.64 0.56 -2.80 113.62 114.63 3i4m n SER 771 Ca 0.11 0.46 -0.06 0.00 1.01 0.00 0.00 58.87 60.38 3i4m n SER 771 Cb 0.79 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 3i4m n SER 771 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m n ALA 772 N -1.48 1.79 0.16 -0.43 0.00 0.54 -4.63 120.51 116.46 3i4m n ALA 772 Ca 0.05 -0.43 0.01 0.00 0.00 0.00 0.00 53.44 53.08 3i4m n ALA 772 Cb 0.23 0.25 0.28 0.00 0.00 0.00 0.00 19.45 20.21 3i4m n ALA 772 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3i4m h MET 773 N 0.00 0.00 0.00 0.00 2.07 -1.25 -2.22 114.93 113.53 3i4m h MET 773 Ca -0.22 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.37 3i4m h MET 773 Cb 1.35 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.08 3i4m h MET 773 CO -0.03 0.48 -0.20 0.78 1.07 0.00 0.00 176.91 179.01 3i4m h GLY 774 N 1.49 0.00 -0.72 8.32 0.00 -1.78 0.88 103.07 111.26 3i4m h GLY 774 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i4m h GLY 774 CO 0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.88 3i4m n LYS 775 N -3.94 1.44 0.00 4.80 5.02 -0.84 -3.38 118.16 121.26 3i4m n LYS 775 Ca -0.02 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 3i4m n LYS 775 Cb 0.29 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3i4m n LYS 775 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3i4m n GLN 776 N 0.01 3.21 -0.72 1.97 7.27 0.09 -4.97 117.38 124.24 3i4m n GLN 776 Ca 0.06 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.96 3i4m n GLN 776 Cb 0.18 -0.45 0.13 0.00 2.41 0.00 0.00 30.24 32.51 3i4m n GLN 776 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i4m n ALA 777 N -0.50 -1.60 -3.33 1.69 0.00 0.01 -2.59 120.51 114.19 3i4m n ALA 777 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 53.44 52.43 3i4m n ALA 777 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.40 3i4m n ALA 777 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i4m n MET 778 N -3.13 1.07 0.00 0.00 2.81 -1.09 -4.56 117.12 112.23 3i4m n MET 778 Ca 0.09 -1.00 0.00 0.00 -1.81 0.00 0.00 57.70 54.97 3i4m n MET 778 Cb 0.33 0.03 0.00 0.00 -0.71 0.00 0.00 33.22 32.86 3i4m n MET 778 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i4m n GLY 779 N 2.91 -0.56 2.50 3.03 0.00 -1.25 -4.51 105.19 107.32 3i4m n GLY 779 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3i4m n GLY 779 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4m n VAL 780 N 0.00 -0.17 -0.26 1.61 0.31 -1.26 -1.61 118.33 116.95 3i4m n VAL 780 Ca 0.00 -2.72 0.32 0.00 -0.01 0.00 0.00 64.34 61.92 3i4m n VAL 780 Cb 0.00 0.44 0.56 0.00 -0.91 0.00 0.00 33.84 33.93 3i4m n VAL 780 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 3i4m h PHE 781 N 3.42 0.00 -2.57 3.52 -5.15 -1.83 -3.42 116.94 110.90 3i4m h PHE 781 Ca -0.03 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.83 3i4m h PHE 781 Cb 1.01 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 37.07 3i4m h PHE 781 CO 0.29 0.00 0.39 -0.51 -2.00 0.00 0.00 178.31 176.48 3i4m s LEU 782 N -6.93 -0.35 -0.17 2.10 1.43 -1.26 -4.38 118.68 109.11 3i4m s LEU 782 Ca -0.03 -0.18 0.17 0.00 -1.03 0.00 0.00 54.13 53.05 3i4m s LEU 782 Cb 0.17 2.29 0.78 0.00 0.03 0.00 0.00 46.19 49.47 3i4m s LEU 782 CO 0.57 -0.88 1.70 0.35 0.23 0.00 0.00 176.35 178.32 3i4m n THR 783 N -0.36 2.29 -0.63 5.49 -2.24 -1.26 -4.14 114.28 113.43 3i4m n THR 783 Ca -0.09 -1.30 0.06 0.00 -2.27 0.00 0.00 64.05 60.45 3i4m n THR 783 Cb 0.62 -0.06 0.12 0.00 -2.10 0.00 0.00 70.33 68.91 3i4m n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i4m n ASN 784 N 0.93 2.59 -0.05 3.42 6.94 -1.26 -4.66 115.26 123.17 3i4m n ASN 784 Ca 0.27 -2.62 0.22 0.00 -0.02 0.00 0.00 54.58 52.43 3i4m n ASN 784 Cb 1.05 -0.30 0.69 0.00 -2.36 0.00 0.00 39.78 38.86 3i4m n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3i4m h TYR 785 N 0.57 0.02 -0.51 -2.53 -0.00 -1.93 0.64 116.97 113.23 3i4m h TYR 785 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.73 58.88 3i4m h TYR 785 Cb 0.90 -0.01 -0.02 0.00 -0.00 0.00 0.00 36.73 37.60 3i4m h TYR 785 CO 0.12 0.01 0.50 -0.91 -0.00 0.00 0.00 178.16 177.87 3i4m h ASN 786 N 0.02 0.00 0.00 0.10 2.35 -1.93 -1.14 115.58 114.97 3i4m h ASN 786 Ca 0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3i4m h ASN 786 Cb 1.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 3i4m h ASN 786 CO -0.01 0.00 -0.34 0.52 -1.65 0.00 0.00 177.43 175.95 3i4m n VAL 787 N -3.82 2.06 -4.10 2.81 0.31 0.22 -4.99 118.33 110.82 3i4m n VAL 787 Ca 0.10 -2.88 -0.33 0.00 -0.01 0.00 0.00 64.34 61.22 3i4m n VAL 787 Cb 0.70 -0.22 -0.16 0.00 -0.91 0.00 0.00 33.84 33.25 3i4m n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i4m s ARG 788 N -3.06 2.99 -0.41 5.55 0.52 -0.43 -4.96 118.95 119.14 3i4m s ARG 788 Ca 0.36 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 3i4m s ARG 788 Cb 0.34 -2.63 0.29 0.00 0.52 0.00 0.00 34.95 33.47 3i4m s ARG 788 CO -0.04 -0.23 1.99 -1.33 0.02 0.00 0.00 175.30 175.72 3i4m n MET 789 N 4.63 2.04 -2.14 3.54 2.81 -1.26 -4.94 117.12 121.80 3i4m n MET 789 Ca -0.20 -2.05 -0.41 0.00 -1.81 0.00 0.00 57.70 53.22 3i4m n MET 789 Cb 0.50 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 3i4m n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3i4m s ASP 790 N -0.40 6.80 -0.78 7.83 3.84 -1.26 -4.84 116.67 127.86 3i4m s ASP 790 Ca 0.40 2.49 -0.25 0.00 -0.00 0.00 0.00 52.55 55.19 3i4m s ASP 790 Cb 0.32 -2.61 -0.06 0.00 -1.38 0.00 0.00 42.92 39.18 3i4m s ASP 790 CO -0.00 -0.60 2.07 0.42 -0.00 0.00 0.00 175.17 177.06 3i4m s THR 791 N 0.19 3.30 0.00 2.11 -4.23 -1.26 -4.35 115.64 111.39 3i4m s THR 791 Ca 0.59 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3i4m s THR 791 Cb -0.38 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3i4m s THR 791 CO 0.39 -0.66 0.00 0.80 -0.54 0.00 0.00 174.62 174.61 3i4m n MET 792 N 8.93 0.00 0.00 3.99 0.00 -1.20 -4.76 117.12 124.08 3i4m n MET 792 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.07 3i4m n MET 792 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 3i4m n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i4m n ALA 793 N 0.16 0.00 -2.53 -5.12 0.00 -0.93 -4.96 120.51 107.13 3i4m n ALA 793 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3i4m n ALA 793 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3i4m n ALA 793 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i4m s ASN 794 N 0.00 2.17 -0.06 0.00 0.01 -1.26 -1.37 114.94 114.43 3i4m s ASN 794 Ca 0.00 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 51.72 3i4m s ASN 794 Cb 0.00 -0.18 0.01 0.00 0.41 0.00 0.00 41.25 41.48 3i4m s ASN 794 CO 0.00 0.13 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.94 3i4m s ILE 795 N -0.74 1.39 0.04 0.60 1.09 -1.25 -3.96 121.20 118.37 3i4m s ILE 795 Ca 0.06 -0.65 -0.30 0.00 -1.10 0.00 0.00 60.65 58.65 3i4m s ILE 795 Cb -0.08 -1.23 -0.05 0.00 -1.06 0.00 0.00 42.46 40.03 3i4m s ILE 795 CO 0.01 0.41 1.24 -0.22 -0.10 0.00 0.00 174.94 176.28 3i4m s LEU 796 N 0.41 4.35 0.00 2.97 2.96 -0.64 0.61 118.68 129.35 3i4m s LEU 796 Ca -0.12 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 3i4m s LEU 796 Cb -0.15 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3i4m s LEU 796 CO 0.04 -0.53 0.64 -1.22 -1.32 0.00 0.00 176.35 173.96 3i4m n TYR 797 N 4.28 0.00 -3.65 5.38 4.02 -0.16 -3.86 117.16 123.18 3i4m n TYR 797 Ca 0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.61 3i4m n TYR 797 Cb 0.46 -0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.56 3i4m n TYR 797 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3i4m s TYR 798 N -1.56 3.50 0.47 -0.72 4.12 -1.26 -5.07 117.35 116.83 3i4m s TYR 798 Ca 0.00 -2.64 -0.22 0.00 0.02 0.00 0.00 57.07 54.24 3i4m s TYR 798 Cb 0.00 -3.30 -0.08 0.00 -1.52 0.00 0.00 41.96 37.06 3i4m s TYR 798 CO 0.00 -0.85 1.08 -2.14 0.02 0.00 0.00 175.55 173.66 3i4m s PRO 799 N -0.17 3.81 0.03 -1.71 0.02 -1.25 -4.91 135.00 130.82 3i4m s PRO 799 Ca 0.18 1.52 0.08 0.00 0.02 0.00 0.00 61.00 62.80 3i4m s PRO 799 Cb -0.17 -2.25 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 3i4m s PRO 799 CO -0.05 -0.45 -0.24 -0.65 -0.33 0.00 0.00 177.00 175.28 3i4m s GLN 800 N -2.95 1.72 0.42 5.54 -0.21 -0.44 -5.03 119.66 118.70 3i4m s GLN 800 Ca 0.65 -0.99 -0.22 0.00 0.02 0.00 0.00 55.36 54.82 3i4m s GLN 800 Cb -0.21 -1.81 -0.10 0.00 1.00 0.00 0.00 33.01 31.89 3i4m s GLN 800 CO 0.26 0.48 0.98 -1.59 -2.12 0.00 0.00 175.29 173.29 3i4m s LYS 801 N -1.04 4.18 0.94 2.91 -2.85 -1.26 -4.43 119.74 118.20 3i4m s LYS 801 Ca 0.10 1.25 -0.11 0.00 -1.00 0.00 0.00 55.97 56.21 3i4m s LYS 801 Cb -0.09 -2.29 0.16 0.00 -2.06 0.00 0.00 37.83 33.54 3i4m s LYS 801 CO 0.01 -0.08 1.11 -1.25 0.10 0.00 0.00 175.35 175.24 3i4m s PRO 802 N -2.95 0.82 -0.05 1.78 0.04 -1.26 -4.77 135.00 128.61 3i4m s PRO 802 Ca 0.61 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 3i4m s PRO 802 Cb -0.13 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3i4m s PRO 802 CO 0.18 -2.70 -0.04 -0.07 0.04 0.00 0.00 177.00 174.41 3i4m h LEU 803 N -1.91 0.00 -9.71 -3.56 3.38 -1.94 -3.45 115.31 98.12 3i4m h LEU 803 Ca -0.47 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.98 3i4m h LEU 803 Cb 1.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.05 3i4m h LEU 803 CO 0.45 0.25 0.55 -0.83 0.09 0.00 0.00 178.44 178.96 3i4m s GLY 804 N -2.95 2.75 0.34 0.83 0.00 -1.26 -2.49 107.32 104.55 3i4m s GLY 804 Ca -0.03 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.66 3i4m s GLY 804 CO 0.05 1.81 0.42 -0.51 0.00 0.00 0.00 173.10 174.87 3i4m s THR 805 N -0.32 0.00 0.14 0.90 -4.23 0.21 -4.82 115.64 107.51 3i4m s THR 805 Ca 0.51 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 3i4m s THR 805 Cb -0.33 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 3i4m s THR 805 CO 0.39 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.46 3i4m s THR 806 N -3.15 3.16 0.30 3.99 2.01 -1.26 0.13 115.64 120.83 3i4m s THR 806 Ca 0.33 -1.47 0.32 0.00 0.31 0.00 0.00 61.69 61.18 3i4m s THR 806 Cb 0.00 -2.50 0.34 0.00 0.01 0.00 0.00 72.50 70.35 3i4m s THR 806 CO 0.22 0.03 2.05 0.03 -0.69 0.00 0.00 174.62 176.26 3i4m h ARG 807 N 3.39 0.00 -0.49 4.92 2.47 -1.95 -2.30 114.38 120.42 3i4m h ARG 807 Ca -0.48 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.11 3i4m h ARG 807 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 3i4m h ARG 807 CO 0.51 0.08 -0.21 0.00 0.56 0.00 0.00 179.97 180.91 3i4m h ALA 808 N 1.92 0.71 -0.91 0.04 0.00 -1.93 -3.15 119.26 115.94 3i4m h ALA 808 Ca -0.00 -0.39 0.14 0.00 0.00 0.00 0.00 54.91 54.66 3i4m h ALA 808 Cb 0.41 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3i4m h ALA 808 CO 0.01 0.67 0.52 0.52 0.00 0.00 0.00 179.25 180.98 3i4m h MET 809 N 0.86 0.75 -0.78 0.00 2.86 -1.64 -2.14 114.93 114.84 3i4m h MET 809 Ca 0.11 -0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 3i4m h MET 809 Cb 0.78 -0.17 -0.15 0.00 0.06 0.00 0.00 31.60 32.12 3i4m h MET 809 CO 0.06 0.50 -0.12 -1.91 1.06 0.00 0.00 176.91 176.51 3i4m n GLU 810 N -4.76 -0.07 0.10 1.72 2.13 -1.19 0.99 120.64 119.56 3i4m n GLU 810 Ca 0.18 1.20 0.05 0.00 0.66 0.00 0.00 57.16 59.25 3i4m n GLU 810 Cb 0.41 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.29 3i4m n GLU 810 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3i4m h TYR 811 N 0.00 0.00 0.00 4.31 -1.99 -1.59 -3.24 116.97 114.46 3i4m h TYR 811 Ca 0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 3i4m h TYR 811 Cb 0.72 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.45 3i4m h TYR 811 CO -0.52 0.34 0.00 1.28 -0.00 0.00 0.00 178.16 179.26 3i4m n LEU 812 N -2.96 0.00 -3.04 3.88 4.77 0.28 -4.93 117.00 115.00 3i4m n LEU 812 Ca -0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 3i4m n LEU 812 Cb 0.70 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.81 3i4m n LEU 812 CO 0.40 0.00 -0.01 0.29 -1.33 0.00 0.00 177.39 176.75 3i4m n LYS 813 N -1.00 -2.18 0.01 3.23 4.76 -0.23 -4.75 118.16 118.00 3i4m n LYS 813 Ca 0.23 1.89 -0.03 0.00 -2.87 0.00 0.00 58.31 57.53 3i4m n LYS 813 Cb 0.11 -4.80 -0.01 0.00 -1.84 0.00 0.00 35.03 28.48 3i4m n LYS 813 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i4m n PHE 814 N -0.45 0.00 0.17 2.13 7.35 -1.21 -4.11 117.46 121.34 3i4m n PHE 814 Ca 0.05 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.81 3i4m n PHE 814 Cb 0.52 -0.12 0.36 0.00 0.35 0.00 0.00 39.48 40.60 3i4m n PHE 814 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3i4m n ARG 815 N -3.53 0.09 -0.06 -4.13 1.74 -1.26 0.62 116.66 110.14 3i4m n ARG 815 Ca -0.05 0.57 -0.09 0.00 -0.77 0.00 0.00 57.85 57.52 3i4m n ARG 815 Cb 0.24 -2.09 -0.15 0.00 -1.02 0.00 0.00 32.46 29.44 3i4m n ARG 815 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i4m n GLU 816 N -2.06 0.66 -3.18 5.56 4.71 -1.26 -4.63 120.64 120.44 3i4m n GLU 816 Ca -0.01 0.15 -0.21 0.00 -0.01 0.00 0.00 57.16 57.08 3i4m n GLU 816 Cb 0.32 -1.66 -0.05 0.00 -1.01 0.00 0.00 31.44 29.04 3i4m n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3i4m n LEU 817 N -2.90 1.00 -4.29 -4.62 4.77 0.20 -5.11 117.00 106.06 3i4m n LEU 817 Ca -0.24 -4.97 -0.30 0.00 -0.03 0.00 0.00 56.01 50.47 3i4m n LEU 817 Cb 1.09 0.53 0.29 0.00 -2.33 0.00 0.00 43.42 43.01 3i4m n LEU 817 CO 0.44 2.21 0.40 -2.16 -1.33 0.00 0.00 177.39 176.94 3i4m s PRO 818 N -2.06 -2.87 -0.05 3.23 0.04 -0.26 -4.63 135.00 128.40 3i4m s PRO 818 Ca 0.39 0.28 0.14 0.00 0.04 0.00 0.00 61.00 61.84 3i4m s PRO 818 Cb 0.27 -1.37 0.27 0.00 0.04 0.00 0.00 34.50 33.71 3i4m s PRO 818 CO -0.09 -4.87 1.12 0.00 0.04 0.00 0.00 177.00 173.20 3i4m n ALA 819 N -5.65 2.44 0.00 8.56 0.00 -1.26 -3.99 120.51 120.61 3i4m n ALA 819 Ca 0.11 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.44 3i4m n ALA 819 Cb 0.59 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3i4m n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4m n GLY 820 N -0.21 -0.60 3.20 0.00 0.00 -1.26 -4.38 105.19 101.95 3i4m n GLY 820 Ca 0.08 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 3i4m n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i4m s GLN 821 N -0.10 0.70 -0.37 1.61 -0.21 -1.05 -1.33 119.66 118.91 3i4m s GLN 821 Ca 0.00 -0.50 -0.23 0.00 0.02 0.00 0.00 55.36 54.65 3i4m s GLN 821 Cb 0.00 0.30 0.01 0.00 1.00 0.00 0.00 33.01 34.32 3i4m s GLN 821 CO 0.00 -0.21 0.76 -0.80 -2.12 0.00 0.00 175.29 172.92 3i4m s ASN 822 N -1.89 6.51 -0.08 5.90 0.01 -1.26 -1.22 114.94 122.91 3i4m s ASN 822 Ca -0.07 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 3i4m s ASN 822 Cb -0.02 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 3i4m s ASN 822 CO -0.02 -0.73 -0.06 0.00 -1.51 0.00 0.00 177.10 174.78 3i4m s ALA 823 N 3.05 3.01 -0.62 0.60 0.00 -0.45 -4.82 121.76 122.54 3i4m s ALA 823 Ca 0.30 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 3i4m s ALA 823 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3i4m s ALA 823 CO 0.17 0.55 1.99 0.42 0.00 0.00 0.00 175.76 178.89 3i4m s ILE 824 N -0.73 3.29 -0.09 0.00 -1.09 -1.26 -1.95 121.20 119.36 3i4m s ILE 824 Ca 0.11 0.11 -0.21 0.00 -2.23 0.00 0.00 60.65 58.43 3i4m s ILE 824 Cb -0.11 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 3i4m s ILE 824 CO 0.02 -0.72 0.62 -0.69 -1.23 0.00 0.00 174.94 172.93 3i4m s VAL 825 N 9.90 5.10 -0.22 2.92 1.01 -1.13 -0.33 120.40 137.65 3i4m s VAL 825 Ca 0.74 1.26 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 3i4m s VAL 825 Cb -0.13 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3i4m s VAL 825 CO 0.20 0.27 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 3i4m s ALA 826 N 0.80 2.69 -0.28 5.51 0.00 0.04 -2.11 121.76 128.41 3i4m s ALA 826 Ca 0.33 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 3i4m s ALA 826 Cb -0.17 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 3i4m s ALA 826 CO 0.15 -0.48 0.61 0.42 0.00 0.00 0.00 175.76 176.46 3i4m s ILE 827 N 1.41 4.97 0.00 0.00 1.01 -1.14 -1.85 121.20 125.61 3i4m s ILE 827 Ca 0.05 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3i4m s ILE 827 Cb -0.14 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3i4m s ILE 827 CO -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 174.94 174.83 3i4m n ALA 828 N 5.78 0.00 -1.86 9.38 0.00 0.06 -4.17 120.51 129.70 3i4m n ALA 828 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 3i4m n ALA 828 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3i4m n ALA 828 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n TYR 830 N -1.44 0.00 0.29 0.00 9.36 -1.26 -4.89 117.16 119.21 3i4m n TYR 830 Ca 0.06 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.41 3i4m n TYR 830 Cb 0.54 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.53 3i4m n TYR 830 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3i4m h SER 831 N 0.00 0.00 0.00 2.98 4.64 -2.01 -3.46 113.55 115.70 3i4m h SER 831 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i4m h SER 831 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i4m h SER 831 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3i4m n GLY 832 N 0.97 0.69 0.09 -0.77 0.00 -1.26 -4.94 105.19 99.98 3i4m n GLY 832 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3i4m n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i4m n TYR 833 N -2.52 0.88 0.82 1.61 4.02 -1.26 -3.61 117.16 117.11 3i4m n TYR 833 Ca 0.00 0.29 0.11 0.00 -0.01 0.00 0.00 57.90 58.29 3i4m n TYR 833 Cb 0.00 -1.05 0.49 0.00 -0.02 0.00 0.00 39.34 38.76 3i4m n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3i4m n ASN 834 N -2.84 0.00 -4.60 7.72 6.94 -1.24 -4.53 115.26 116.71 3i4m n ASN 834 Ca -0.10 0.39 -0.47 0.00 -0.02 0.00 0.00 54.58 54.37 3i4m n ASN 834 Cb 0.84 -0.46 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 3i4m n ASN 834 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 3i4m n GLN 835 N -1.46 1.43 -3.00 -3.83 7.27 -1.24 -3.07 117.38 113.48 3i4m n GLN 835 Ca 0.06 0.51 -0.13 0.00 0.07 0.00 0.00 57.00 57.51 3i4m n GLN 835 Cb 0.24 -2.03 0.06 0.00 2.41 0.00 0.00 30.24 30.92 3i4m n GLN 835 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3i4m n GLU 836 N 1.70 -3.36 -3.28 3.69 -0.58 -1.26 -4.20 120.64 113.35 3i4m n GLU 836 Ca 0.13 0.69 -0.13 0.00 -0.42 0.00 0.00 57.16 57.43 3i4m n GLU 836 Cb 0.27 -5.06 0.04 0.00 -0.57 0.00 0.00 31.44 26.13 3i4m n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3i4m n ASP 837 N -2.80 -6.75 -3.64 1.62 8.00 -1.25 -5.02 116.55 106.72 3i4m n ASP 837 Ca -0.13 -0.57 -0.03 0.00 0.71 0.00 0.00 54.79 54.76 3i4m n ASP 837 Cb 0.61 -4.85 -0.07 0.00 -0.02 0.00 0.00 41.12 36.80 3i4m n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i4m s SER 838 N -3.27 -0.50 0.44 -2.24 1.04 -1.17 -3.71 113.70 104.29 3i4m s SER 838 Ca 0.31 0.80 0.08 0.00 0.48 0.00 0.00 55.95 57.62 3i4m s SER 838 Cb -0.06 1.17 -0.01 0.00 0.10 0.00 0.00 66.02 67.23 3i4m s SER 838 CO 0.77 -0.13 0.40 0.00 0.98 0.00 0.00 173.24 175.26 3i4m s MET 839 N 1.25 2.50 -0.14 4.02 0.23 -0.64 -3.59 119.30 122.93 3i4m s MET 839 Ca -0.08 -1.58 -0.07 0.00 -1.03 0.00 0.00 55.69 52.93 3i4m s MET 839 Cb -0.04 -2.37 -0.04 0.00 -1.53 0.00 0.00 34.83 30.85 3i4m s MET 839 CO -0.14 -0.27 0.10 0.42 -2.03 0.00 0.00 175.02 173.11 3i4m s ILE 840 N -2.51 5.19 -0.13 3.16 1.01 -1.20 0.14 121.20 126.87 3i4m s ILE 840 Ca 0.48 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3i4m s ILE 840 Cb -0.03 -3.29 0.02 0.00 0.01 0.00 0.00 42.46 39.17 3i4m s ILE 840 CO 0.28 0.55 -0.11 -0.32 0.00 0.00 0.00 174.94 175.34 3i4m s MET 841 N -0.48 1.90 -0.34 2.79 1.75 -1.04 -0.79 119.30 123.10 3i4m s MET 841 Ca 0.11 -0.41 -0.39 0.00 -1.25 0.00 0.00 55.69 53.76 3i4m s MET 841 Cb -0.12 -1.82 -0.15 0.00 2.84 0.00 0.00 34.83 35.59 3i4m s MET 841 CO 0.02 -0.23 1.96 -1.71 -0.65 0.00 0.00 175.02 174.41 3i4m n ASN 842 N 4.79 2.08 -0.02 1.11 5.15 -1.12 -2.80 115.26 124.44 3i4m n ASN 842 Ca -0.15 0.78 -0.16 0.00 -0.60 0.00 0.00 54.58 54.45 3i4m n ASN 842 Cb 0.50 -1.15 -0.10 0.00 -0.53 0.00 0.00 39.78 38.50 3i4m n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3i4m h GLN 843 N 9.34 0.35 -0.70 1.20 5.75 1.38 -2.93 115.11 129.50 3i4m h GLN 843 Ca -0.34 -0.32 0.12 0.00 -0.15 0.00 0.00 58.65 57.96 3i4m h GLN 843 Cb 1.33 0.07 -0.13 0.00 1.07 0.00 0.00 27.48 29.83 3i4m h GLN 843 CO 1.00 0.97 -0.37 1.03 -2.65 0.00 0.00 178.83 178.82 3i4m h SER 844 N -0.17 -1.29 0.21 -0.69 0.87 -1.87 0.69 113.55 111.29 3i4m h SER 844 Ca -0.04 0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3i4m h SER 844 Cb 1.08 0.64 -0.00 0.00 -0.44 0.00 0.00 62.40 63.68 3i4m h SER 844 CO 0.08 -0.30 -0.09 0.77 -0.53 0.00 0.00 176.83 176.76 3i4m h SER 845 N -0.13 0.00 -0.15 6.23 4.64 -1.88 -1.81 113.55 120.45 3i4m h SER 845 Ca 0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.45 3i4m h SER 845 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3i4m h SER 845 CO -0.77 0.09 -0.31 0.40 -0.87 0.00 0.00 176.83 175.37 3i4m h ILE 846 N 0.00 1.28 0.58 0.95 2.04 0.52 0.31 117.51 123.19 3i4m h ILE 846 Ca -0.00 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 3i4m h ILE 846 Cb 0.22 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3i4m h ILE 846 CO 0.01 0.46 -0.36 0.44 0.00 0.00 0.00 178.15 178.70 3i4m h ASP 847 N 0.55 -0.91 0.00 1.72 5.19 -0.34 0.14 116.42 122.77 3i4m h ASP 847 Ca 0.06 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3i4m h ASP 847 Cb 0.81 0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.58 3i4m h ASP 847 CO 0.07 -0.56 0.00 0.54 -3.12 0.00 0.00 179.24 176.16 3i4m n ARG 848 N -5.50 0.00 0.00 3.56 1.74 -1.08 -4.66 116.66 110.73 3i4m n ARG 848 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3i4m n ARG 848 Cb 0.39 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3i4m n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4m n GLY 849 N -0.78 0.88 3.65 -0.13 0.00 0.48 -5.06 105.19 104.24 3i4m n GLY 849 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3i4m n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i4m n LEU 850 N 0.00 2.77 -0.89 0.99 7.94 0.09 -2.24 117.00 125.66 3i4m n LEU 850 Ca 0.00 1.12 -0.10 0.00 -1.11 0.00 0.00 56.01 55.93 3i4m n LEU 850 Cb 0.00 -1.38 -0.04 0.00 0.53 0.00 0.00 43.42 42.53 3i4m n LEU 850 CO 0.00 -0.58 -0.09 0.49 -1.11 0.00 0.00 177.39 176.09 3i4m n PHE 851 N 2.33 -0.15 -2.25 1.96 3.01 -1.26 -4.65 117.46 116.44 3i4m n PHE 851 Ca 0.14 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.22 3i4m n PHE 851 Cb 0.29 -2.40 -0.02 0.00 -0.01 0.00 0.00 39.48 37.34 3i4m n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3i4m s ARG 852 N -2.63 3.97 0.45 -1.08 0.52 -0.95 -4.54 118.95 114.68 3i4m s ARG 852 Ca 0.00 1.87 0.03 0.00 -0.52 0.00 0.00 55.73 57.11 3i4m s ARG 852 Cb 0.00 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 3i4m s ARG 852 CO 0.00 -0.40 0.12 -1.54 0.02 0.00 0.00 175.30 173.51 3i4m s SER 853 N -1.13 3.14 0.04 0.23 1.04 -1.05 -0.98 113.70 114.97 3i4m s SER 853 Ca 0.59 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3i4m s SER 853 Cb -0.31 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3i4m s SER 853 CO 0.39 -0.99 0.00 0.18 0.98 0.00 0.00 173.24 173.80 3i4m n LEU 854 N -1.02 0.00 -3.44 2.42 4.77 0.20 -2.91 117.00 117.02 3i4m n LEU 854 Ca -0.09 -0.23 0.02 0.00 -0.03 0.00 0.00 56.01 55.68 3i4m n LEU 854 Cb 0.65 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 3i4m n LEU 854 CO 0.34 -0.05 0.82 0.12 -1.33 0.00 0.00 177.39 177.30 3i4m s PHE 855 N -1.08 -0.31 -0.02 -1.77 2.19 -0.28 -3.94 117.98 112.77 3i4m s PHE 855 Ca 0.00 0.57 0.06 0.00 0.33 0.00 0.00 56.93 57.89 3i4m s PHE 855 Cb -0.00 0.19 -0.01 0.00 -1.31 0.00 0.00 43.02 41.88 3i4m s PHE 855 CO 0.00 -0.15 -0.20 -0.06 1.83 0.00 0.00 175.22 176.64 3i4m s PHE 856 N 1.77 1.82 0.26 10.12 0.40 -0.47 -0.69 117.98 131.19 3i4m s PHE 856 Ca -0.04 -0.39 0.10 0.00 -0.60 0.00 0.00 56.93 56.00 3i4m s PHE 856 Cb -0.03 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.27 3i4m s PHE 856 CO -0.15 -0.06 -0.16 0.50 0.70 0.00 0.00 175.22 176.05 3i4m s ARG 857 N -0.37 1.56 -0.49 0.44 3.52 -0.92 -2.19 118.95 120.50 3i4m s ARG 857 Ca 0.05 -1.72 0.05 0.00 -0.13 0.00 0.00 55.73 53.97 3i4m s ARG 857 Cb -0.09 -1.49 0.18 0.00 -1.56 0.00 0.00 34.95 31.99 3i4m s ARG 857 CO -0.00 0.24 0.41 0.43 -0.81 0.00 0.00 175.30 175.57 3i4m n SER 858 N -0.55 0.56 -4.73 -2.12 7.64 -1.26 -2.35 113.62 110.81 3i4m n SER 858 Ca -0.06 -2.64 -0.35 0.00 1.01 0.00 0.00 58.87 56.83 3i4m n SER 858 Cb 0.61 -0.61 0.08 0.00 -1.01 0.00 0.00 64.21 63.27 3i4m n SER 858 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3i4m s TYR 859 N -0.51 2.10 0.19 1.43 1.51 -0.87 -4.70 117.35 116.51 3i4m s TYR 859 Ca 0.31 1.55 -0.18 0.00 -1.01 0.00 0.00 57.07 57.75 3i4m s TYR 859 Cb 0.04 -3.54 0.03 0.00 -0.11 0.00 0.00 41.96 38.37 3i4m s TYR 859 CO -0.18 -2.66 0.53 1.41 -1.11 0.00 0.00 175.55 173.55 3i4m s MET 860 N -3.66 1.38 -0.26 -0.62 1.75 -1.26 -0.98 119.30 115.65 3i4m s MET 860 Ca 0.77 -0.84 -0.33 0.00 -1.25 0.00 0.00 55.69 54.05 3i4m s MET 860 Cb -0.32 0.53 0.17 0.00 2.84 0.00 0.00 34.83 38.05 3i4m s MET 860 CO 0.42 -0.59 1.31 0.34 -0.65 0.00 0.00 175.02 175.85 3i4m s ASP 861 N -2.86 -0.07 0.28 1.11 -1.08 -0.56 -5.02 116.67 108.46 3i4m s ASP 861 Ca 0.09 0.05 0.02 0.00 -0.52 0.00 0.00 52.55 52.18 3i4m s ASP 861 Cb -0.01 0.07 -0.01 0.00 -1.46 0.00 0.00 42.92 41.51 3i4m s ASP 861 CO -0.03 -0.09 0.07 0.00 0.52 0.00 0.00 175.17 175.63 3i4m n GLN 862 N 0.29 0.85 -3.64 4.34 6.02 -1.26 -0.69 117.38 123.29 3i4m n GLN 862 Ca 0.01 -2.25 -0.40 0.00 -0.01 0.00 0.00 57.00 54.35 3i4m n GLN 862 Cb 0.58 1.04 -0.11 0.00 1.02 0.00 0.00 30.24 32.77 3i4m n GLN 862 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3i4m s GLU 863 N -3.04 2.68 1.14 -1.09 2.02 -0.90 -4.98 118.70 114.54 3i4m s GLU 863 Ca 0.10 -1.25 -0.18 0.00 0.02 0.00 0.00 54.97 53.65 3i4m s GLU 863 Cb 0.00 -3.68 0.15 0.00 0.10 0.00 0.00 34.13 30.70 3i4m s GLU 863 CO 0.07 -0.79 0.21 1.63 0.02 0.00 0.00 175.26 176.39 3i4m n LYS 864 N 4.92 -1.90 -4.06 1.61 5.02 -1.26 -4.71 118.16 117.77 3i4m n LYS 864 Ca -0.11 -0.54 -0.10 0.00 -2.02 0.00 0.00 58.31 55.54 3i4m n LYS 864 Cb 0.44 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.58 3i4m n LYS 864 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i4m s LYS 865 N -3.64 1.07 -0.15 1.97 1.02 -1.26 -2.55 119.74 116.19 3i4m s LYS 865 Ca 0.58 -1.33 0.24 0.00 0.02 0.00 0.00 55.97 55.48 3i4m s LYS 865 Cb -0.14 0.31 0.47 0.00 -0.52 0.00 0.00 37.83 37.95 3i4m s LYS 865 CO 0.66 -0.35 1.14 0.66 -0.92 0.00 0.00 175.35 176.53 3i4m n TYR 866 N -0.17 0.76 0.00 3.18 4.02 0.75 -4.92 117.16 120.78 3i4m n TYR 866 Ca -0.06 -1.46 0.00 0.00 -0.01 0.00 0.00 57.90 56.37 3i4m n TYR 866 Cb 0.63 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 3i4m n TYR 866 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i4m n GLY 867 N -0.16 0.16 1.44 2.72 0.00 -1.26 -4.22 105.19 103.86 3i4m n GLY 867 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i4m n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i4m n MET 868 N 0.00 0.42 -0.83 1.61 2.81 -1.26 -4.62 117.12 115.25 3i4m n MET 868 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 3i4m n MET 868 Cb 0.00 -1.29 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 3i4m n MET 868 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3i4m n SER 869 N 1.35 -4.05 -4.58 7.83 7.64 -1.26 -4.88 113.62 115.67 3i4m n SER 869 Ca 0.00 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 3i4m n SER 869 Cb 0.21 -2.74 -0.03 0.00 -1.01 0.00 0.00 64.21 60.64 3i4m n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i4m s ILE 870 N -0.99 3.62 0.17 0.44 1.01 -1.26 -4.82 121.20 119.38 3i4m s ILE 870 Ca 0.00 0.56 0.11 0.00 0.00 0.00 0.00 60.65 61.32 3i4m s ILE 870 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3i4m s ILE 870 CO 0.00 -0.81 -0.25 -0.89 0.00 0.00 0.00 174.94 172.99 3i4m s THR 871 N 6.87 2.35 0.00 2.92 2.01 -1.26 -0.18 115.64 128.35 3i4m s THR 871 Ca 0.65 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.72 3i4m s THR 871 Cb -0.15 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.26 3i4m s THR 871 CO 0.28 -0.05 0.00 -0.62 -0.69 0.00 0.00 174.62 173.54 3i4m n GLU 872 N 0.47 -0.29 -3.52 4.92 1.02 -1.06 -4.32 120.64 117.85 3i4m n GLU 872 Ca -0.14 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.85 3i4m n GLU 872 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.92 3i4m n GLU 872 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i4m s THR 873 N -0.88 0.00 -0.42 2.62 2.01 -0.59 -4.88 115.64 113.51 3i4m s THR 873 Ca 0.00 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3i4m s THR 873 Cb 0.00 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.58 3i4m s THR 873 CO 0.00 0.00 0.27 -0.36 -0.69 0.00 0.00 174.62 173.84 3i4m s PHE 874 N -1.69 3.31 0.36 4.92 2.99 -1.26 -0.15 117.98 126.46 3i4m s PHE 874 Ca -0.06 -1.36 -0.05 0.00 0.00 0.00 0.00 56.93 55.47 3i4m s PHE 874 Cb -0.00 -2.89 0.02 0.00 0.00 0.00 0.00 43.02 40.15 3i4m s PHE 874 CO 0.03 -0.81 0.56 -0.85 -0.00 0.00 0.00 175.22 174.16 3i4m n GLU 875 N 4.97 0.81 -3.62 0.44 0.28 -1.23 -4.27 120.64 118.01 3i4m n GLU 875 Ca -0.11 -2.70 -0.36 0.00 -0.16 0.00 0.00 57.16 53.83 3i4m n GLU 875 Cb 0.44 2.75 -0.06 0.00 1.43 0.00 0.00 31.44 35.99 3i4m n GLU 875 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3i4m n LYS 876 N -0.58 2.69 0.00 3.44 4.81 -1.25 -3.75 118.16 123.52 3i4m n LYS 876 Ca -0.01 -4.48 0.00 0.00 -0.87 0.00 0.00 58.31 52.94 3i4m n LYS 876 Cb 0.59 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.23 3i4m n LYS 876 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3i4m n PRO 877 N 2.28 -0.65 0.00 1.64 -0.04 -1.26 -5.08 135.00 131.89 3i4m n PRO 877 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3i4m n PRO 877 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 3i4m n PRO 877 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4m n GLN 878 N -1.18 0.00 0.00 0.54 -0.00 -1.26 -5.08 117.38 110.40 3i4m n GLN 878 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i4m n GLN 878 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3i4m n GLN 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3i4m n ARG 879 N 0.00 0.00 -3.92 2.61 5.12 -1.26 -4.49 116.66 114.71 3i4m n ARG 879 Ca 0.00 0.02 -0.38 0.00 -1.93 0.00 0.00 57.85 55.56 3i4m n ARG 879 Cb 0.00 -0.64 0.02 0.00 -1.16 0.00 0.00 32.46 30.68 3i4m n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i4m n THR 880 N -0.16 -3.93 0.00 0.55 -1.04 -1.26 -3.39 114.28 105.05 3i4m n THR 880 Ca 0.00 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 3i4m n THR 880 Cb 0.00 -3.08 0.00 0.00 -1.82 0.00 0.00 70.33 65.43 3i4m n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3i4m n ASN 881 N -2.47 0.00 0.00 8.00 3.02 -1.26 -4.39 115.26 118.16 3i4m n ASN 881 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3i4m n ASN 881 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 3i4m n ASN 881 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3i4m n THR 882 N 0.00 0.00 0.00 3.41 -1.04 -1.24 -4.80 114.28 110.61 3i4m n THR 882 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i4m n THR 882 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i4m n THR 882 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i4m n LEU 883 N -2.02 0.00 -4.57 -4.42 4.77 -1.22 -4.88 117.00 104.66 3i4m n LEU 883 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3i4m n LEU 883 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3i4m n LEU 883 CO 0.00 0.00 1.34 -0.13 -1.33 0.00 0.00 177.39 177.27 3i4m s ARG 884 N 0.00 2.11 0.00 3.23 1.81 -1.26 -4.78 118.95 120.06 3i4m s ARG 884 Ca 0.00 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.42 3i4m s ARG 884 Cb 0.00 -5.09 0.00 0.00 -0.45 0.00 0.00 34.95 29.41 3i4m s ARG 884 CO 0.00 -4.23 0.00 -1.33 -0.68 0.00 0.00 175.30 169.06 3i4m n MET 885 N 8.47 3.14 0.00 3.54 2.81 -1.26 -1.38 117.12 132.44 3i4m n MET 885 Ca 0.43 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 3i4m n MET 885 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 3i4m n MET 885 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3i4m n LYS 886 N 0.00 1.52 0.00 0.03 4.76 -1.26 -4.91 118.16 118.30 3i4m n LYS 886 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i4m n LYS 886 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i4m n LYS 886 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3i4m n HIS 887 N 0.00 0.00 -2.92 2.13 8.25 -1.26 -5.08 115.22 116.34 3i4m n HIS 887 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3i4m n HIS 887 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 3i4m n HIS 887 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i4m s GLY 888 N -0.22 2.56 -0.21 -1.41 0.00 -1.26 -4.94 107.32 101.84 3i4m s GLY 888 Ca 0.00 0.33 -0.35 0.00 0.00 0.00 0.00 44.72 44.70 3i4m s GLY 888 CO 0.00 0.67 1.98 2.41 0.00 0.00 0.00 173.10 178.16 3i4m n THR 889 N 0.08 0.40 0.09 0.90 -1.04 -1.26 -4.15 114.28 109.30 3i4m n THR 889 Ca 0.03 -0.17 -0.06 0.00 -2.04 0.00 0.00 64.05 61.81 3i4m n THR 889 Cb 0.52 -1.75 0.05 0.00 -1.82 0.00 0.00 70.33 67.33 3i4m n THR 889 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 3i4m h TYR 890 N 10.29 0.21 -0.53 -1.42 -1.99 -1.92 -3.11 116.97 118.50 3i4m h TYR 890 Ca -0.41 -0.10 0.09 0.00 2.00 0.00 0.00 58.73 60.31 3i4m h TYR 890 Cb 1.29 -0.03 -0.09 0.00 2.00 0.00 0.00 36.73 39.90 3i4m h TYR 890 CO 0.89 0.86 -0.18 -0.25 -0.00 0.00 0.00 178.16 179.48 3i4m n ASP 891 N -3.71 -0.28 0.00 3.88 10.43 -1.26 0.11 116.55 125.73 3i4m n ASP 891 Ca -0.02 0.93 0.00 0.00 2.57 0.00 0.00 54.79 58.26 3i4m n ASP 891 Cb 0.74 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.46 3i4m n ASP 891 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i4m n LYS 892 N -4.82 0.00 -3.59 -1.24 5.02 -1.25 -4.37 118.16 107.90 3i4m n LYS 892 Ca 0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 3i4m n LYS 892 Cb 0.24 -1.10 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 3i4m n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i4m s LEU 893 N -0.89 4.41 0.00 -0.35 1.43 0.31 -4.22 118.68 119.37 3i4m s LEU 893 Ca 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3i4m s LEU 893 Cb 0.00 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.15 3i4m s LEU 893 CO 0.00 -0.25 0.00 0.47 0.23 0.00 0.00 176.35 176.80 3i4m n ASP 894 N 5.05 -1.18 0.08 2.29 9.92 0.11 -4.87 116.55 127.95 3i4m n ASP 894 Ca -0.13 -0.39 -0.11 0.00 -0.53 0.00 0.00 54.79 53.63 3i4m n ASP 894 Cb 0.49 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.93 3i4m n ASP 894 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3i4m h ASP 895 N -1.18 0.37 0.00 -2.24 5.19 -1.97 -3.01 116.42 113.58 3i4m h ASP 895 Ca 0.00 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 3i4m h ASP 895 Cb 0.00 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.39 3i4m h ASP 895 CO 0.00 1.12 0.01 -0.90 -3.12 0.00 0.00 179.24 176.35 3i4m n ASP 896 N -3.68 0.00 0.00 6.45 5.68 -1.26 -3.97 116.55 119.77 3i4m n ASP 896 Ca -0.05 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 3i4m n ASP 896 Cb 0.84 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 3i4m n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i4m n GLY 897 N -1.10 0.49 3.59 6.12 0.00 -1.14 -4.24 105.19 108.90 3i4m n GLY 897 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 3i4m n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4m s LEU 898 N 0.00 2.18 -0.04 0.99 1.43 -1.26 -0.84 118.68 121.14 3i4m s LEU 898 Ca 0.00 -1.61 0.01 0.00 -1.03 0.00 0.00 54.13 51.51 3i4m s LEU 898 Cb 0.00 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 3i4m s LEU 898 CO 0.00 -0.83 -0.05 -0.63 0.23 0.00 0.00 176.35 175.07 3i4m s ILE 899 N -3.08 3.84 0.36 -0.59 1.01 -1.26 0.07 121.20 121.55 3i4m s ILE 899 Ca 0.21 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 60.03 3i4m s ILE 899 Cb 0.04 -2.63 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 3i4m s ILE 899 CO 0.11 0.51 1.18 0.00 0.00 0.00 0.00 174.94 176.74 3i4m s ALA 900 N -0.92 3.29 -1.35 9.38 0.00 -1.26 -4.74 121.76 126.17 3i4m s ALA 900 Ca 0.15 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3i4m s ALA 900 Cb -0.11 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3i4m s ALA 900 CO 0.05 -0.46 0.00 -2.30 0.00 0.00 0.00 175.76 173.04 3i4m n PRO 901 N 0.49 0.00 0.00 0.00 -0.02 -1.26 -1.86 135.00 132.35 3i4m n PRO 901 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3i4m n PRO 901 Cb 0.45 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3i4m n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i4m n GLY 902 N 0.06 0.00 3.29 -1.23 0.00 -1.26 -4.42 105.19 101.62 3i4m n GLY 902 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i4m n GLY 902 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4m n VAL 903 N -1.72 0.35 -3.94 1.61 0.31 -0.78 -4.62 118.33 109.54 3i4m n VAL 903 Ca 0.00 -0.35 -0.35 0.00 -0.01 0.00 0.00 64.34 63.64 3i4m n VAL 903 Cb 0.29 -0.41 -0.14 0.00 -0.91 0.00 0.00 33.84 32.67 3i4m n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i4m s ARG 904 N -2.80 2.58 0.27 5.55 3.52 -1.26 -1.54 118.95 125.27 3i4m s ARG 904 Ca 0.53 -1.15 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 3i4m s ARG 904 Cb -0.25 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3i4m s ARG 904 CO 0.70 -0.53 0.45 0.14 -0.81 0.00 0.00 175.30 175.25 3i4m s VAL 905 N 1.27 5.18 0.00 7.11 -7.23 -0.70 -4.98 120.40 121.04 3i4m s VAL 905 Ca -0.03 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 3i4m s VAL 905 Cb -0.18 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.94 3i4m s VAL 905 CO -0.03 -0.37 0.00 -1.54 -0.31 0.00 0.00 175.10 172.85 3i4m n SER 906 N -1.31 0.00 0.00 4.85 3.41 -1.26 -2.07 113.62 117.24 3i4m n SER 906 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3i4m n SER 906 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3i4m n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4m n GLY 907 N 0.00 -0.31 0.65 5.00 0.00 -1.26 -4.50 105.19 104.77 3i4m n GLY 907 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3i4m n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 908 N 0.00 0.37 -1.37 1.61 1.02 -1.26 -4.19 120.64 116.82 3i4m n GLU 908 Ca 0.00 -1.70 -0.43 0.00 -0.02 0.00 0.00 57.16 55.01 3i4m n GLU 908 Cb 0.00 -0.67 -0.01 0.00 -0.02 0.00 0.00 31.44 30.75 3i4m n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i4m n ASP 909 N -0.25 -1.94 -4.77 1.62 9.92 -1.26 -3.27 116.55 116.60 3i4m n ASP 909 Ca 0.06 0.91 -0.38 0.00 -0.53 0.00 0.00 54.79 54.85 3i4m n ASP 909 Cb 0.79 -0.96 -0.01 0.00 -0.64 0.00 0.00 41.12 40.29 3i4m n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3i4m s VAL 910 N -1.48 3.05 -0.08 2.53 1.01 -1.17 -2.86 120.40 121.40 3i4m s VAL 910 Ca 0.61 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.46 3i4m s VAL 910 Cb -0.69 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3i4m s VAL 910 CO 0.60 0.05 0.08 -0.38 0.00 0.00 0.00 175.10 175.45 3i4m n ILE 911 N -0.18 0.00 -3.23 2.22 5.41 0.79 -4.75 119.36 119.63 3i4m n ILE 911 Ca 0.06 -0.38 -0.02 0.00 1.00 0.00 0.00 62.75 63.40 3i4m n ILE 911 Cb 0.47 0.91 -0.03 0.00 -0.71 0.00 0.00 39.64 40.27 3i4m n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3i4m s ILE 912 N -1.36 -0.83 0.45 1.39 1.01 -1.18 -4.02 121.20 116.65 3i4m s ILE 912 Ca 0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 3i4m s ILE 912 Cb 0.02 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.43 3i4m s ILE 912 CO 0.09 -0.11 1.04 -0.83 0.00 0.00 0.00 174.94 175.14 3i4m s GLY 913 N 2.70 2.60 -0.04 6.18 0.00 -0.02 -0.70 107.32 118.04 3i4m s GLY 913 Ca 0.13 0.64 -0.29 0.00 0.00 0.00 0.00 44.72 45.20 3i4m s GLY 913 CO -0.24 1.00 0.82 1.25 0.00 0.00 0.00 173.10 175.93 3i4m s LYS 914 N -2.95 0.89 0.04 2.90 2.20 -1.25 -3.49 119.74 118.08 3i4m s LYS 914 Ca 0.64 -0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 3i4m s LYS 914 Cb -0.18 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.53 3i4m s LYS 914 CO 0.23 -0.33 0.05 0.95 -0.36 0.00 0.00 175.35 175.89 3i4m s THR 915 N -2.14 0.15 -0.10 3.43 -4.23 0.79 -2.23 115.64 111.31 3i4m s THR 915 Ca -0.02 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 3i4m s THR 915 Cb -0.01 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.85 3i4m s THR 915 CO -0.02 -0.69 -0.24 -0.89 -0.54 0.00 0.00 174.62 172.24 3i4m s THR 916 N -2.85 2.05 -0.37 3.99 2.01 0.07 -1.54 115.64 119.00 3i4m s THR 916 Ca -0.03 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 60.70 3i4m s THR 916 Cb 0.00 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.75 3i4m s THR 916 CO -0.06 0.56 0.93 -2.16 -0.69 0.00 0.00 174.62 173.20 3i4m s PRO 917 N 0.36 3.84 0.16 4.92 0.04 -1.26 -3.48 135.00 139.58 3i4m s PRO 917 Ca -0.19 0.58 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 3i4m s PRO 917 Cb -0.18 -3.80 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 3i4m s PRO 917 CO 0.09 -0.96 0.25 0.42 0.04 0.00 0.00 177.00 176.83 3i4m s ILE 918 N 3.50 0.07 -0.29 0.56 1.01 -1.26 -4.91 121.20 119.87 3i4m s ILE 918 Ca 0.38 -1.48 0.05 0.00 0.00 0.00 0.00 60.65 59.60 3i4m s ILE 918 Cb -0.12 -1.89 0.20 0.00 0.01 0.00 0.00 42.46 40.66 3i4m s ILE 918 CO 0.19 -0.32 0.60 -0.94 0.00 0.00 0.00 174.94 174.48 3i4m s SER 919 N -2.98 -1.57 0.00 3.58 1.04 -1.26 -4.84 113.70 107.66 3i4m s SER 919 Ca 0.19 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.91 3i4m s SER 919 Cb 0.04 2.04 0.00 0.00 0.10 0.00 0.00 66.02 68.20 3i4m s SER 919 CO 0.01 -0.29 0.00 -1.54 0.98 0.00 0.00 173.24 172.40 3i4m n SER 933 N 5.41 0.00 -3.16 7.02 3.41 -1.26 -5.34 113.62 119.71 3i4m n SER 933 Ca 0.04 -0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 57.90 3i4m n SER 933 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3i4m n SER 933 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3i4m n LYS 934 N -0.00 0.83 -2.91 4.33 4.81 -1.26 -4.65 118.16 119.31 3i4m n LYS 934 Ca 0.00 -3.21 -0.40 0.00 -0.87 0.00 0.00 58.31 53.84 3i4m n LYS 934 Cb 0.14 -1.43 -0.06 0.00 0.02 0.00 0.00 35.03 33.70 3i4m n LYS 934 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3i4m s ARG 935 N -1.62 4.64 0.85 1.64 1.70 -1.23 -4.62 118.95 120.31 3i4m s ARG 935 Ca 0.37 1.25 -0.11 0.00 -0.47 0.00 0.00 55.73 56.76 3i4m s ARG 935 Cb 0.25 -3.28 0.10 0.00 -0.57 0.00 0.00 34.95 31.45 3i4m s ARG 935 CO -0.10 0.51 1.09 0.34 -1.08 0.00 0.00 175.30 176.06 3i4m s ASP 936 N -0.98 3.95 0.00 -2.89 -1.08 -0.48 -0.75 116.67 114.44 3i4m s ASP 936 Ca 0.38 1.45 0.00 0.00 -0.52 0.00 0.00 52.55 53.86 3i4m s ASP 936 Cb -0.24 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 3i4m s ASP 936 CO 0.28 -2.33 0.55 0.00 0.52 0.00 0.00 175.17 174.18 3i4m n ALA 937 N -3.68 1.49 -0.93 3.66 0.00 -0.95 -4.67 120.51 115.42 3i4m n ALA 937 Ca 0.07 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 3i4m n ALA 937 Cb 0.55 -0.27 0.23 0.00 0.00 0.00 0.00 19.45 19.96 3i4m n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i4m s SER 938 N -0.52 1.21 -0.27 0.00 0.01 -1.25 -4.47 113.70 108.40 3i4m s SER 938 Ca 0.00 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.24 3i4m s SER 938 Cb 0.00 -1.47 0.08 0.00 0.21 0.00 0.00 66.02 64.84 3i4m s SER 938 CO 0.00 -3.99 0.02 -0.89 0.41 0.00 0.00 173.24 168.80 3i4m s THR 939 N -2.81 1.29 0.87 1.44 2.01 0.12 -4.94 115.64 113.62 3i4m s THR 939 Ca 0.68 -1.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 3i4m s THR 939 Cb -0.16 -1.78 0.21 0.00 0.01 0.00 0.00 72.50 70.78 3i4m s THR 939 CO 0.58 -0.38 1.03 -0.81 -0.69 0.00 0.00 174.62 174.36 3i4m n PRO 940 N 4.72 -1.63 -3.21 4.92 -0.04 -1.26 -0.15 135.00 138.36 3i4m n PRO 940 Ca -0.06 -1.61 -0.23 0.00 -0.04 0.00 0.00 63.50 61.56 3i4m n PRO 940 Cb 0.44 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3i4m n PRO 940 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i4m s LEU 941 N 0.00 3.83 -0.78 1.53 2.96 -1.13 -4.72 118.68 120.37 3i4m s LEU 941 Ca 0.61 0.26 -0.26 0.00 -0.22 0.00 0.00 54.13 54.53 3i4m s LEU 941 Cb -0.03 -3.14 -0.13 0.00 0.50 0.00 0.00 46.19 43.39 3i4m s LEU 941 CO 0.44 -0.52 2.38 -0.13 -1.32 0.00 0.00 176.35 177.20 3i4m s ARG 942 N -4.41 1.69 0.00 1.98 1.81 -1.26 -4.66 118.95 114.10 3i4m s ARG 942 Ca 0.45 0.49 0.00 0.00 -1.72 0.00 0.00 55.73 54.95 3i4m s ARG 942 Cb -0.10 -4.79 0.00 0.00 -0.45 0.00 0.00 34.95 29.61 3i4m s ARG 942 CO 0.36 -4.31 0.00 -1.13 -0.68 0.00 0.00 175.30 169.54 3i4m n SER 943 N 18.20 0.00 0.18 0.23 3.41 -1.26 0.11 113.62 134.49 3i4m n SER 943 Ca 0.46 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.93 3i4m n SER 943 Cb 0.44 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 3i4m n SER 943 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3i4m h THR 944 N 0.00 0.66 -3.57 6.66 1.35 -1.87 -3.45 112.91 112.68 3i4m h THR 944 Ca 0.00 -0.46 -0.44 0.00 -0.55 0.00 0.00 66.41 64.96 3i4m h THR 944 Cb 0.00 0.89 0.18 0.00 -1.73 0.00 0.00 68.15 67.49 3i4m h THR 944 CO 0.00 0.09 0.10 -1.61 -0.25 0.00 0.00 175.52 173.85 3i4m s GLU 945 N -4.98 -0.34 0.00 4.72 2.02 0.30 -5.05 118.70 115.38 3i4m s GLU 945 Ca -0.15 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.43 3i4m s GLU 945 Cb 0.03 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.61 3i4m s GLU 945 CO 0.56 -3.27 0.00 0.27 0.02 0.00 0.00 175.26 172.85 3i4m n ASN 946 N -4.56 0.00 0.00 -0.19 0.23 -1.26 -4.55 115.26 104.93 3i4m n ASN 946 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 3i4m n ASN 946 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3i4m n ASN 946 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i4m n GLY 947 N -0.35 -0.29 2.95 4.83 0.00 -0.88 -4.93 105.19 106.53 3i4m n GLY 947 Ca 0.00 0.59 -0.16 0.00 0.00 0.00 0.00 46.02 46.45 3i4m n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i4m s ILE 948 N 2.43 0.39 0.11 -0.61 1.01 -0.66 -1.73 121.20 122.15 3i4m s ILE 948 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.12 3i4m s ILE 948 Cb 0.00 -0.33 -0.07 0.00 0.01 0.00 0.00 42.46 42.06 3i4m s ILE 948 CO 0.00 0.10 1.33 -0.69 0.00 0.00 0.00 174.94 175.68 3i4m s VAL 949 N -0.13 3.48 -0.12 2.92 1.01 -0.59 0.41 120.40 127.38 3i4m s VAL 949 Ca 0.02 1.08 0.19 0.00 0.00 0.00 0.00 61.98 63.27 3i4m s VAL 949 Cb -0.02 -3.69 -0.25 0.00 0.00 0.00 0.00 36.38 32.42 3i4m s VAL 949 CO -0.00 0.09 0.43 -0.67 0.00 0.00 0.00 175.10 174.95 3i4m n ASP 950 N 3.77 0.21 0.00 3.32 2.03 0.49 -4.04 116.55 122.33 3i4m n ASP 950 Ca 0.10 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.50 3i4m n ASP 950 Cb 0.43 1.19 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 3i4m n ASP 950 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i4m n GLN 951 N -2.58 0.00 -3.30 -0.67 10.64 -1.19 -4.95 117.38 115.33 3i4m n GLN 951 Ca -0.15 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.83 3i4m n GLN 951 Cb 0.84 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 30.21 3i4m n GLN 951 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3i4m s VAL 952 N 0.00 2.81 -0.28 -0.39 1.01 -1.26 -1.71 120.40 120.58 3i4m s VAL 952 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 3i4m s VAL 952 Cb 0.00 -2.98 0.10 0.00 0.00 0.00 0.00 36.38 33.50 3i4m s VAL 952 CO 0.00 0.00 0.87 -1.48 0.00 0.00 0.00 175.10 174.49 3i4m s LEU 953 N -4.24 -0.64 -0.12 3.92 2.34 -0.87 -4.99 118.68 114.08 3i4m s LEU 953 Ca 0.51 1.15 0.02 0.00 0.06 0.00 0.00 54.13 55.88 3i4m s LEU 953 Cb -0.06 2.12 -0.00 0.00 -0.56 0.00 0.00 46.19 47.68 3i4m s LEU 953 CO 0.30 -0.19 -0.19 -0.69 -1.06 0.00 0.00 176.35 174.52 3i4m s VAL 954 N 0.75 2.43 0.20 1.48 1.01 -1.26 -2.23 120.40 122.79 3i4m s VAL 954 Ca -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3i4m s VAL 954 Cb -0.05 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3i4m s VAL 954 CO -0.09 0.54 0.15 -0.89 0.00 0.00 0.00 175.10 174.82 3i4m s THR 955 N 0.44 0.00 0.00 3.92 2.01 0.76 -4.99 115.64 117.79 3i4m s THR 955 Ca -0.14 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 59.90 3i4m s THR 955 Cb -0.17 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.86 3i4m s THR 955 CO 0.06 0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.40 3i4m n THR 956 N -0.28 0.00 -2.66 -0.82 -1.04 -1.26 0.57 114.28 108.79 3i4m n THR 956 Ca 0.02 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.99 3i4m n THR 956 Cb 0.66 -0.72 0.08 0.00 -1.82 0.00 0.00 70.33 68.52 3i4m n THR 956 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3i4m n ASN 957 N 0.00 -1.13 0.00 8.00 5.15 -0.85 -3.56 115.26 122.87 3i4m n ASN 957 Ca 0.00 -1.61 0.00 0.00 -0.60 0.00 0.00 54.58 52.37 3i4m n ASN 957 Cb 0.00 0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 3i4m n ASN 957 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i4m n GLN 958 N 1.52 0.00 0.00 1.20 6.02 -1.26 -2.33 117.38 122.52 3i4m n GLN 958 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 3i4m n GLN 958 Cb 0.71 0.00 0.09 0.00 1.02 0.00 0.00 30.24 32.06 3i4m n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i4m n ASP 959 N 0.02 0.00 0.00 1.08 8.00 -1.26 -3.13 116.55 121.26 3i4m n ASP 959 Ca 0.00 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.94 3i4m n ASP 959 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3i4m n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4m n GLY 960 N -0.23 2.94 3.42 0.44 0.00 -0.99 -4.98 105.19 105.80 3i4m n GLY 960 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3i4m n GLY 960 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 961 N 0.00 -0.50 -4.61 0.99 4.77 -1.26 -4.06 117.00 112.34 3i4m n LEU 961 Ca 0.00 0.81 -0.43 0.00 -0.03 0.00 0.00 56.01 56.36 3i4m n LEU 961 Cb 0.00 -1.08 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 3i4m n LEU 961 CO 0.00 -3.31 1.12 -0.54 -1.33 0.00 0.00 177.39 173.32 3i4m s LYS 962 N -1.62 3.76 -0.17 3.23 1.02 -1.26 -2.00 119.74 122.70 3i4m s LYS 962 Ca 0.64 0.91 -0.06 0.00 0.02 0.00 0.00 55.97 57.48 3i4m s LYS 962 Cb -0.54 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 32.82 3i4m s LYS 962 CO 0.58 -1.33 0.03 0.12 -0.92 0.00 0.00 175.35 173.83 3i4m s PHE 963 N 4.67 3.18 -0.05 3.18 5.36 0.19 -2.12 117.98 132.39 3i4m s PHE 963 Ca 0.54 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 3i4m s PHE 963 Cb -0.12 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 3i4m s PHE 963 CO 0.28 0.13 -0.03 0.08 -1.46 0.00 0.00 175.22 174.22 3i4m s VAL 964 N 0.26 0.45 0.01 3.12 1.01 0.13 -0.17 120.40 125.22 3i4m s VAL 964 Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3i4m s VAL 964 Cb -0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3i4m s VAL 964 CO 0.01 0.22 -0.19 -0.54 0.00 0.00 0.00 175.10 174.61 3i4m s LYS 965 N 1.22 2.15 -0.02 2.72 1.02 -0.94 -1.50 119.74 124.39 3i4m s LYS 965 Ca -0.06 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.05 3i4m s LYS 965 Cb -0.14 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 3i4m s LYS 965 CO -0.02 0.56 -0.14 0.08 -0.92 0.00 0.00 175.35 174.91 3i4m s VAL 966 N -0.83 1.14 -0.08 3.17 1.01 -0.15 -2.05 120.40 122.61 3i4m s VAL 966 Ca 0.13 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3i4m s VAL 966 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3i4m s VAL 966 CO 0.03 0.33 -0.18 -0.60 0.00 0.00 0.00 175.10 174.67 3i4m s ARG 967 N -0.23 2.78 -0.21 2.72 3.52 -0.69 -2.04 118.95 124.79 3i4m s ARG 967 Ca 0.03 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 3i4m s ARG 967 Cb -0.07 -2.36 0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3i4m s ARG 967 CO -0.00 0.41 -0.16 0.08 -0.81 0.00 0.00 175.30 174.82 3i4m s VAL 968 N -0.19 2.17 0.27 7.11 1.01 -0.99 0.18 120.40 129.96 3i4m s VAL 968 Ca -0.01 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 3i4m s VAL 968 Cb -0.13 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 3i4m s VAL 968 CO 0.03 0.32 0.64 -0.60 0.00 0.00 0.00 175.10 175.49 3i4m s ARG 969 N 1.23 3.90 -0.19 2.72 3.52 0.17 -2.16 118.95 128.14 3i4m s ARG 969 Ca -0.00 0.47 -0.21 0.00 -0.13 0.00 0.00 55.73 55.85 3i4m s ARG 969 Cb -0.16 -2.56 0.06 0.00 -1.56 0.00 0.00 34.95 30.73 3i4m s ARG 969 CO -0.10 0.25 0.58 0.99 -0.81 0.00 0.00 175.30 176.21 3i4m s THR 970 N -1.88 0.00 -0.21 4.11 2.01 0.13 -1.65 115.64 118.15 3i4m s THR 970 Ca 0.50 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 3i4m s THR 970 Cb -0.11 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 3i4m s THR 970 CO 0.19 -0.02 0.04 -0.89 -0.69 0.00 0.00 174.62 173.26 3i4m s THR 971 N 0.06 4.29 -0.22 -0.82 2.01 -1.26 -1.12 115.64 118.58 3i4m s THR 971 Ca -0.02 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 3i4m s THR 971 Cb -0.04 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 3i4m s THR 971 CO 0.02 0.41 0.01 -0.54 -0.69 0.00 0.00 174.62 173.83 3i4m s LYS 972 N 1.04 3.58 0.00 4.92 1.02 -1.15 -5.02 119.74 124.13 3i4m s LYS 972 Ca 0.03 -0.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 3i4m s LYS 972 Cb -0.14 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3i4m s LYS 972 CO 0.02 -0.09 0.19 0.42 -0.92 0.00 0.00 175.35 174.97 3i4m s ILE 973 N 1.29 5.42 0.03 2.17 1.01 -1.26 -2.54 121.20 127.32 3i4m s ILE 973 Ca 0.04 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 3i4m s ILE 973 Cb -0.15 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 3i4m s ILE 973 CO 0.01 0.30 1.97 -2.16 0.00 0.00 0.00 174.94 175.06 3i4m s PRO 974 N -2.00 4.11 0.50 2.79 0.04 -1.26 -4.97 135.00 134.20 3i4m s PRO 974 Ca 0.28 2.58 0.06 0.00 0.04 0.00 0.00 61.00 63.97 3i4m s PRO 974 Cb -0.13 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.26 3i4m s PRO 974 CO 0.20 -0.99 0.39 -1.14 0.04 0.00 0.00 177.00 175.49 3i4m s GLN 975 N 4.52 2.32 0.31 4.56 0.74 -1.26 -5.03 119.66 125.82 3i4m s GLN 975 Ca 0.89 -1.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.42 3i4m s GLN 975 Cb -0.42 -2.17 0.49 0.00 1.10 0.00 0.00 33.01 32.00 3i4m s GLN 975 CO 0.41 -0.46 1.97 0.82 -0.55 0.00 0.00 175.29 177.48 3i4m h ILE 976 N 0.88 1.20 0.00 -2.34 2.04 -1.93 -2.74 117.51 114.62 3i4m h ILE 976 Ca -0.38 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3i4m h ILE 976 Cb 1.29 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3i4m h ILE 976 CO 0.58 0.20 0.00 1.23 0.00 0.00 0.00 178.15 180.16 3i4m h GLY 977 N 1.05 0.00 -1.82 5.37 0.00 -1.93 -3.18 103.07 102.56 3i4m h GLY 977 Ca 0.28 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.08 3i4m h GLY 977 CO -0.06 0.00 -0.40 1.22 0.00 0.00 0.00 176.54 177.30 3i4m n ASP 978 N -2.30 -1.55 -4.46 0.19 9.92 -1.03 -3.93 116.55 113.39 3i4m n ASP 978 Ca 0.05 0.36 -0.30 0.00 -0.53 0.00 0.00 54.79 54.37 3i4m n ASP 978 Cb 0.40 -1.26 -0.12 0.00 -0.64 0.00 0.00 41.12 39.49 3i4m n ASP 978 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3i4m s LYS 979 N -3.81 1.91 0.34 -1.24 2.20 -1.23 -1.02 119.74 116.90 3i4m s LYS 979 Ca 0.59 -1.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 3i4m s LYS 979 Cb -0.22 -2.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.96 3i4m s LYS 979 CO 0.65 0.51 0.41 -0.06 -0.36 0.00 0.00 175.35 176.51 3i4m s PHE 980 N -1.01 1.31 -0.22 4.03 0.40 0.16 -3.61 117.98 119.04 3i4m s PHE 980 Ca 0.16 -1.43 -0.30 0.00 -0.60 0.00 0.00 56.93 54.76 3i4m s PHE 980 Cb -0.10 -0.29 0.16 0.00 0.51 0.00 0.00 43.02 43.29 3i4m s PHE 980 CO 0.07 -1.06 1.16 0.00 0.70 0.00 0.00 175.22 176.09 3i4m s ALA 981 N -3.15 -2.02 0.57 5.36 0.00 -0.46 -1.95 121.76 120.12 3i4m s ALA 981 Ca 0.34 1.72 0.00 0.00 0.00 0.00 0.00 51.96 54.02 3i4m s ALA 981 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3i4m s ALA 981 CO 0.23 -0.28 0.00 -1.13 0.00 0.00 0.00 175.76 174.58 3i4m n SER 982 N 0.62 0.00 -2.00 0.00 3.41 -1.26 0.44 113.62 114.83 3i4m n SER 982 Ca -0.06 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.29 3i4m n SER 982 Cb 0.58 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.62 3i4m n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i4m n ARG 983 N -0.02 2.86 -2.44 4.33 1.74 -1.26 -4.45 116.66 117.42 3i4m n ARG 983 Ca 0.00 -3.59 0.01 0.00 -0.77 0.00 0.00 57.85 53.49 3i4m n ARG 983 Cb 0.00 -2.19 0.05 0.00 -1.02 0.00 0.00 32.46 29.29 3i4m n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i4m n HIS 984 N -0.89 0.64 -3.98 -1.55 8.25 -1.26 -4.59 115.22 111.84 3i4m n HIS 984 Ca 0.50 -1.65 -0.30 0.00 -0.26 0.00 0.00 57.72 56.01 3i4m n HIS 984 Cb 0.90 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.98 3i4m n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4m n GLY 985 N -0.39 -0.40 2.49 -1.41 0.00 -1.26 -4.86 105.19 99.36 3i4m n GLY 985 Ca 0.04 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3i4m n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i4m n GLN 986 N -4.49 2.87 -0.98 1.61 -0.06 -1.26 -4.97 117.38 110.10 3i4m n GLN 986 Ca -0.07 -3.55 -0.37 0.00 -2.00 0.00 0.00 57.00 51.01 3i4m n GLN 986 Cb 0.57 -2.28 0.04 0.00 -4.06 0.00 0.00 30.24 24.51 3i4m n GLN 986 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3i4m n LYS 987 N -0.75 0.00 0.00 3.69 5.02 -1.26 -4.06 118.16 120.80 3i4m n LYS 987 Ca 0.56 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3i4m n LYS 987 Cb 0.56 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 3i4m n LYS 987 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i4m n GLY 988 N 3.44 2.85 3.64 0.72 0.00 -0.82 -4.68 105.19 110.34 3i4m n GLY 988 Ca -0.02 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3i4m n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4m s THR 989 N -0.84 3.76 0.95 2.61 -4.23 -1.24 0.40 115.64 117.05 3i4m s THR 989 Ca 0.00 -1.01 -0.10 0.00 -1.18 0.00 0.00 61.69 59.39 3i4m s THR 989 Cb 0.00 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 71.25 3i4m s THR 989 CO 0.00 0.18 1.10 -0.38 -0.54 0.00 0.00 174.62 174.98 3i4m n ILE 990 N 0.83 0.00 -0.00 2.99 5.41 -0.19 -1.63 119.36 126.78 3i4m n ILE 990 Ca -0.13 -0.06 -0.00 0.00 1.00 0.00 0.00 62.75 63.56 3i4m n ILE 990 Cb 0.52 -0.98 -0.00 0.00 -0.71 0.00 0.00 39.64 38.47 3i4m n ILE 990 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i4m n GLY 991 N 0.42 -0.01 3.51 7.39 0.00 0.12 -4.61 105.19 112.01 3i4m n GLY 991 Ca 0.11 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3i4m n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i4m s ILE 992 N -2.01 0.00 0.17 -0.61 2.07 -1.25 -4.96 121.20 114.61 3i4m s ILE 992 Ca -0.01 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.33 3i4m s ILE 992 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3i4m s ILE 992 CO 0.01 0.00 -0.19 0.42 -1.91 0.00 0.00 174.94 173.27 3i4m s THR 993 N -2.68 2.67 0.29 4.00 -4.23 -1.26 -2.48 115.64 111.94 3i4m s THR 993 Ca 0.02 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3i4m s THR 993 Cb -0.01 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 3i4m s THR 993 CO -0.06 -0.07 0.14 -0.31 -0.54 0.00 0.00 174.62 173.79 3i4m s TYR 994 N -1.55 1.56 0.30 3.99 1.51 -1.12 -4.84 117.35 117.20 3i4m s TYR 994 Ca 0.21 -1.33 0.10 0.00 -1.01 0.00 0.00 57.07 55.04 3i4m s TYR 994 Cb -0.09 -0.84 -0.05 0.00 -0.11 0.00 0.00 41.96 40.87 3i4m s TYR 994 CO 0.11 -0.49 -0.07 1.03 -1.11 0.00 0.00 175.55 175.02 3i4m s ARG 995 N -3.89 1.98 0.12 -0.62 0.52 -1.26 0.55 118.95 116.35 3i4m s ARG 995 Ca 0.36 -1.69 -0.21 0.00 -0.52 0.00 0.00 55.73 53.67 3i4m s ARG 995 Cb 0.06 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 3i4m s ARG 995 CO 0.16 0.26 1.10 0.54 0.02 0.00 0.00 175.30 177.38 3i4m n ARG 996 N -0.81 -0.30 -0.54 3.54 1.74 -1.26 0.29 116.66 119.32 3i4m n ARG 996 Ca -0.05 1.08 0.44 0.00 -0.77 0.00 0.00 57.85 58.54 3i4m n ARG 996 Cb 0.61 -1.58 0.74 0.00 -1.02 0.00 0.00 32.46 31.20 3i4m n ARG 996 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3i4m h GLU 997 N 0.00 0.04 0.03 5.56 3.07 -1.96 0.27 114.58 121.58 3i4m h GLU 997 Ca 0.13 -0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.64 3i4m h GLU 997 Cb 0.31 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 3i4m h GLU 997 CO -0.67 0.02 -2.07 -0.25 -1.40 0.00 0.00 179.01 174.64 3i4m n ASP 998 N -4.33 1.13 -4.73 1.42 9.92 0.14 -4.32 116.55 115.79 3i4m n ASP 998 Ca 0.39 0.17 -0.36 0.00 -0.53 0.00 0.00 54.79 54.47 3i4m n ASP 998 Cb 1.66 -0.04 0.08 0.00 -0.64 0.00 0.00 41.12 42.17 3i4m n ASP 998 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3i4m s MET 999 N -2.55 2.38 0.59 -1.24 1.75 0.95 -4.12 119.30 117.07 3i4m s MET 999 Ca -0.15 1.90 -0.16 0.00 -1.25 0.00 0.00 55.69 56.03 3i4m s MET 999 Cb 0.07 -1.85 -0.04 0.00 2.84 0.00 0.00 34.83 35.86 3i4m s MET 999 CO 0.78 -1.68 1.05 -1.25 -0.65 0.00 0.00 175.02 173.27 3i4m s PRO 1000N -3.63 3.33 0.01 4.11 0.04 -1.26 -3.96 135.00 133.65 3i4m s PRO 1000Ca 0.78 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 3i4m s PRO 1000Cb -0.33 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 3i4m s PRO 1000CO 0.42 -0.80 0.03 -0.59 0.04 0.00 0.00 177.00 176.10 3i4m s PHE 1001N -2.48 0.18 -0.22 0.56 -0.12 -0.93 -4.42 117.98 110.56 3i4m s PHE 1001Ca 0.63 -0.38 -0.12 0.00 -0.05 0.00 0.00 56.93 57.01 3i4m s PHE 1001Cb -0.16 -0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.05 3i4m s PHE 1001CO 0.37 -0.22 0.22 -0.08 -0.05 0.00 0.00 175.22 175.46 3i4m s THR 1002N -1.41 5.33 0.06 -4.49 -1.32 -1.07 0.64 115.64 113.38 3i4m s THR 1002Ca -0.15 0.33 0.02 0.00 -1.21 0.00 0.00 61.69 60.68 3i4m s THR 1002Cb -0.09 -3.56 0.07 0.00 -1.51 0.00 0.00 72.50 67.41 3i4m s THR 1002CO -0.00 0.35 0.28 0.00 -2.21 0.00 0.00 174.62 173.04 3i4m n ALA 1003N 4.10 0.13 0.14 11.08 0.00 -1.26 0.26 120.51 134.96 3i4m n ALA 1003Ca -0.13 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3i4m n ALA 1003Cb 0.52 -0.16 0.44 0.00 0.00 0.00 0.00 19.45 20.25 3i4m n ALA 1003CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i4m n GLU 1004N -3.73 0.11 0.00 0.00 1.02 -1.26 -4.82 120.64 111.96 3i4m n GLU 1004Ca 0.05 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 3i4m n GLU 1004Cb 0.18 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3i4m n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 1005N -1.31 3.12 2.18 0.62 0.00 0.71 -5.05 105.19 105.46 3i4m n GLY 1005Ca -0.01 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 3i4m n GLY 1005CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i4m n ILE 1006N 0.00 0.45 -3.78 -0.61 -5.35 -1.24 -4.46 119.36 104.37 3i4m n ILE 1006Ca 0.00 -0.33 -0.12 0.00 -0.27 0.00 0.00 62.75 62.03 3i4m n ILE 1006Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.82 3i4m n ILE 1006CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3i4m s VAL 1007N -1.10 0.08 0.66 7.28 0.11 -1.26 -2.59 120.40 123.59 3i4m s VAL 1007Ca 0.39 -0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 58.61 3i4m s VAL 1007Cb -0.43 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 3i4m s VAL 1007CO 0.41 -0.38 1.10 -2.16 -3.33 0.00 0.00 175.10 170.75 3i4m s PRO 1008N -2.20 2.81 0.00 1.54 0.04 -1.26 -4.87 135.00 131.06 3i4m s PRO 1008Ca -0.08 1.33 0.15 0.00 0.04 0.00 0.00 61.00 62.44 3i4m s PRO 1008Cb -0.02 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3i4m s PRO 1008CO -0.01 -1.23 0.77 -0.25 0.04 0.00 0.00 177.00 176.32 3i4m n ASP 1009N -2.51 1.29 -3.68 6.66 8.00 0.55 -4.45 116.55 122.40 3i4m n ASP 1009Ca 0.10 -1.14 -0.14 0.00 0.71 0.00 0.00 54.79 54.32 3i4m n ASP 1009Cb 0.52 0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 42.19 3i4m n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i4m s LEU 1010N -2.25 -0.15 -0.44 0.64 2.96 -1.22 -2.80 118.68 115.42 3i4m s LEU 1010Ca 0.10 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.14 3i4m s LEU 1010Cb 0.12 1.94 0.14 0.00 0.50 0.00 0.00 46.19 48.89 3i4m s LEU 1010CO 0.47 -0.21 0.26 -0.63 -1.32 0.00 0.00 176.35 174.92 3i4m s ILE 1011N 0.23 1.22 0.26 6.68 1.01 0.03 -0.78 121.20 129.85 3i4m s ILE 1011Ca -0.01 -2.57 -0.20 0.00 0.00 0.00 0.00 60.65 57.87 3i4m s ILE 1011Cb -0.04 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 3i4m s ILE 1011CO 0.01 -0.95 0.77 0.27 0.00 0.00 0.00 174.94 175.04 3i4m s ILE 1012N 0.29 4.51 0.03 2.92 -4.36 -0.77 -3.22 121.20 120.60 3i4m s ILE 1012Ca 0.20 1.34 -0.30 0.00 -0.26 0.00 0.00 60.65 61.63 3i4m s ILE 1012Cb -0.20 -3.84 -0.05 0.00 1.25 0.00 0.00 42.46 39.62 3i4m s ILE 1012CO -0.03 0.12 1.27 0.21 0.24 0.00 0.00 174.94 176.75 3i4m s ASN 1013N -1.75 6.99 0.42 4.36 3.84 -1.26 -0.76 114.94 126.78 3i4m s ASN 1013Ca 0.47 2.03 0.24 0.00 0.21 0.00 0.00 52.86 55.80 3i4m s ASN 1013Cb -0.16 -2.57 1.24 0.00 -0.55 0.00 0.00 41.25 39.21 3i4m s ASN 1013CO 0.21 -0.58 1.73 1.55 -2.79 0.00 0.00 177.10 177.22 3i4m h PRO 1014N 7.18 0.26 -0.33 0.43 0.13 -1.88 -2.23 132.00 135.56 3i4m h PRO 1014Ca -0.39 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 3i4m h PRO 1014Cb 1.19 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3i4m h PRO 1014CO 0.85 0.17 0.22 0.45 -0.23 0.00 0.00 178.00 179.46 3i4m h HIS 1015N 0.27 0.31 0.00 1.56 3.86 -1.99 -3.03 115.15 116.13 3i4m h HIS 1015Ca 0.66 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.88 3i4m h HIS 1015Cb 1.90 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 30.26 3i4m h HIS 1015CO -0.00 0.19 0.00 0.00 0.86 0.00 0.00 177.93 178.97 3i4m n ALA 1016N -2.51 2.80 -0.12 2.45 0.00 -0.84 -3.88 120.51 118.41 3i4m n ALA 1016Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i4m n ALA 1016Cb 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3i4m n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i4m n ILE 1017N 1.10 0.00 -0.37 0.00 2.08 -1.14 -4.73 119.36 116.29 3i4m n ILE 1017Ca 0.00 0.00 0.33 0.00 0.56 0.00 0.00 62.75 63.64 3i4m n ILE 1017Cb 0.38 -0.73 0.60 0.00 -0.75 0.00 0.00 39.64 39.14 3i4m n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3i4m h PRO 1018N 0.00 0.06 0.00 0.38 0.11 -1.77 0.50 132.00 131.28 3i4m h PRO 1018Ca 0.00 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3i4m h PRO 1018Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3i4m h PRO 1018CO 0.00 0.04 -0.77 0.66 -0.21 0.00 0.00 178.00 177.72 3i4m h SER 1019N 0.06 0.00 0.42 -2.05 4.64 -1.90 -3.32 113.55 111.40 3i4m h SER 1019Ca 0.83 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 62.11 3i4m h SER 1019Cb 2.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.42 3i4m h SER 1019CO -0.63 0.31 -1.62 0.54 -0.87 0.00 0.00 176.83 174.56 3i4m n ARG 1020N -2.98 0.64 -3.89 4.77 1.74 0.19 -4.99 116.66 112.14 3i4m n ARG 1020Ca -0.01 -0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.65 3i4m n ARG 1020Cb 0.68 -1.66 0.03 0.00 -1.02 0.00 0.00 32.46 30.49 3i4m n ARG 1020CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3i4m n MET 1021N -2.50 -0.81 -2.64 5.56 2.81 0.15 -4.26 117.12 115.43 3i4m n MET 1021Ca -0.05 0.27 -0.37 0.00 -1.81 0.00 0.00 57.70 55.73 3i4m n MET 1021Cb 0.63 -3.37 0.01 0.00 -0.71 0.00 0.00 33.22 29.77 3i4m n MET 1021CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i4m n THR 1022N -4.62 5.05 -0.32 2.03 -2.24 -1.26 -2.67 114.28 110.25 3i4m n THR 1022Ca -0.11 -5.70 0.13 0.00 -2.27 0.00 0.00 64.05 56.10 3i4m n THR 1022Cb 0.58 -1.48 0.36 0.00 -2.10 0.00 0.00 70.33 67.70 3i4m n THR 1022CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3i4m h VAL 1023N 2.38 0.76 -1.03 2.28 2.07 -1.89 0.61 116.25 121.43 3i4m h VAL 1023Ca 0.44 -0.24 0.28 0.00 0.82 0.00 0.00 66.70 67.99 3i4m h VAL 1023Cb 0.36 -0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 3i4m h VAL 1023CO 1.11 0.13 0.71 0.00 0.02 0.00 0.00 177.57 179.53 3i4m h ALA 1024N 1.61 2.59 0.07 1.67 0.00 -1.84 0.21 119.26 123.58 3i4m h ALA 1024Ca 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 3i4m h ALA 1024Cb 0.87 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i4m h ALA 1024CO -0.29 -0.94 -0.06 1.25 0.00 0.00 0.00 179.25 179.22 3i4m h HIS 1025N 0.21 -0.16 -0.98 0.00 6.17 -1.17 0.27 115.15 119.49 3i4m h HIS 1025Ca 0.54 0.00 0.18 0.00 0.71 0.00 0.00 60.37 61.79 3i4m h HIS 1025Cb 1.71 0.06 -0.17 0.00 2.52 0.00 0.00 27.41 31.53 3i4m h HIS 1025CO -0.00 -0.08 -0.31 -0.07 0.71 0.00 0.00 177.93 178.18 3i4m h LEU 1026N -0.12 -1.14 -0.52 0.26 3.38 -0.77 0.31 115.31 116.71 3i4m h LEU 1026Ca -0.01 0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.30 3i4m h LEU 1026Cb 0.10 0.67 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3i4m h LEU 1026CO 0.00 -0.31 0.29 0.40 0.09 0.00 0.00 178.44 178.91 3i4m h ILE 1027N -0.00 1.01 -0.90 1.22 2.04 -0.70 -1.01 117.51 119.17 3i4m h ILE 1027Ca 0.41 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 66.19 3i4m h ILE 1027Cb 0.66 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 3i4m h ILE 1027CO -1.00 0.10 0.58 -0.08 0.00 0.00 0.00 178.15 177.76 3i4m h GLU 1028N 0.57 0.83 0.39 2.37 4.81 0.33 -0.31 114.58 123.56 3i4m h GLU 1028Ca 0.22 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3i4m h GLU 1028Cb 0.08 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3i4m h GLU 1028CO -0.13 0.55 -0.19 0.00 -0.73 0.00 0.00 179.01 178.51 3i4m h LEU 1030N -0.78 0.92 -0.36 0.00 5.85 -0.68 -0.27 115.31 120.00 3i4m h LEU 1030Ca -0.05 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 3i4m h LEU 1030Cb 0.53 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3i4m h LEU 1030CO 0.09 0.57 -0.24 0.25 -0.34 0.00 0.00 178.44 178.76 3i4m h LEU 1031N 1.03 0.83 -0.83 2.25 5.85 -0.98 -3.11 115.31 120.35 3i4m h LEU 1031Ca 0.42 -0.43 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3i4m h LEU 1031Cb 0.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3i4m h LEU 1031CO -0.18 1.09 -0.53 0.28 -0.34 0.00 0.00 178.44 178.76 3i4m h SER 1032N 0.58 0.00 0.68 1.25 0.02 -0.36 -1.66 113.55 114.07 3i4m h SER 1032Ca 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3i4m h SER 1032Cb 0.81 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3i4m h SER 1032CO 0.07 0.53 -0.13 0.50 -1.14 0.00 0.00 176.83 176.66 3i4m h LYS 1033N 0.00 0.00 0.00 3.45 3.64 -1.04 -0.59 116.57 122.03 3i4m h LYS 1033Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i4m h LYS 1033Cb 1.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3i4m h LYS 1033CO 0.07 0.13 0.00 0.28 -2.27 0.00 0.00 179.45 177.66 3i4m n VAL 1034N -3.40 0.00 0.08 2.00 0.31 -0.98 -3.59 118.33 112.76 3i4m n VAL 1034Ca -0.01 0.28 0.02 0.00 -0.01 0.00 0.00 64.34 64.62 3i4m n VAL 1034Cb 0.31 -0.89 0.12 0.00 -0.91 0.00 0.00 33.84 32.47 3i4m n VAL 1034CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i4m n ALA 1035N -1.43 0.40 0.12 3.52 0.00 -0.66 0.33 120.51 122.78 3i4m n ALA 1035Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3i4m n ALA 1035Cb 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 19.45 19.01 3i4m n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m h ALA 1036N 0.79 0.57 0.09 0.00 0.00 -1.24 -0.41 119.26 119.06 3i4m h ALA 1036Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 3i4m h ALA 1036Cb 0.75 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3i4m h ALA 1036CO 0.00 0.03 -1.95 1.28 0.00 0.00 0.00 179.25 178.61 3i4m n LEU 1037N -2.74 2.54 0.03 0.00 4.77 0.98 -4.36 117.00 118.22 3i4m n LEU 1037Ca 0.00 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 3i4m n LEU 1037Cb 0.56 -1.07 0.04 0.00 -2.33 0.00 0.00 43.42 40.62 3i4m n LEU 1037CO 0.39 0.77 0.04 -1.54 -1.33 0.00 0.00 177.39 175.72 3i4m n SER 1038N -3.62 0.62 -3.00 -1.43 3.41 -0.51 -4.99 113.62 104.10 3i4m n SER 1038Ca -0.34 -0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 57.94 3i4m n SER 1038Cb 0.98 0.73 0.07 0.00 -0.26 0.00 0.00 64.21 65.74 3i4m n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i4m n GLY 1039N 1.37 -0.31 2.65 5.00 0.00 -0.19 -4.99 105.19 108.71 3i4m n GLY 1039Ca 0.02 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3i4m n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i4m s ASN 1040N -4.01 3.46 0.00 1.61 0.01 -1.04 -5.04 114.94 109.93 3i4m s ASN 1040Ca 0.05 -2.53 0.00 0.00 -0.71 0.00 0.00 52.86 49.68 3i4m s ASN 1040Cb -0.01 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 40.78 3i4m s ASN 1040CO 0.61 -0.28 0.00 1.21 -1.51 0.00 0.00 177.10 177.13 3i4m n GLU 1041N 3.65 0.00 -1.66 -0.60 2.13 -1.26 -4.59 120.64 118.32 3i4m n GLU 1041Ca 0.10 0.00 -0.52 0.00 0.66 0.00 0.00 57.16 57.40 3i4m n GLU 1041Cb 0.35 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.01 3i4m n GLU 1041CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i4m n GLY 1042N 0.00 0.89 3.51 8.31 0.00 -1.04 -4.82 105.19 112.03 3i4m n GLY 1042Ca 0.00 0.79 -0.43 0.00 0.00 0.00 0.00 46.02 46.37 3i4m n GLY 1042CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i4m s ASP 1043N 2.08 6.33 -0.06 1.61 2.15 -1.26 0.64 116.67 128.16 3i4m s ASP 1043Ca 0.89 -0.43 -0.02 0.00 0.43 0.00 0.00 52.55 53.42 3i4m s ASP 1043Cb -0.88 -2.38 -0.01 0.00 -0.30 0.00 0.00 42.92 39.35 3i4m s ASP 1043CO 0.51 -1.02 -0.04 0.00 -0.17 0.00 0.00 175.17 174.45 3i4m h ALA 1044N 9.11 0.00 -2.54 3.66 0.00 0.77 -3.45 119.26 126.80 3i4m h ALA 1044Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i4m h ALA 1044Cb 1.08 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i4m h ALA 1044CO 1.01 0.11 0.00 0.43 0.00 0.00 0.00 179.25 180.80 3i4m n SER 1045N -3.43 0.00 0.00 0.00 7.64 -0.21 -4.52 113.62 113.10 3i4m n SER 1045Ca -0.02 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.71 3i4m n SER 1045Cb 0.06 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 3i4m n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3i4m n PRO 1046N 0.53 0.00 -3.53 1.43 -0.02 -1.26 -4.31 135.00 127.83 3i4m n PRO 1046Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 3i4m n PRO 1046Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 3i4m n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i4m s PHE 1047N 0.00 3.33 0.28 6.00 0.40 -1.26 -4.70 117.98 122.03 3i4m s PHE 1047Ca 0.00 0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 56.52 3i4m s PHE 1047Cb 0.00 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 41.17 3i4m s PHE 1047CO 0.00 0.01 0.81 0.95 0.70 0.00 0.00 175.22 177.69 3i4m s THR 1048N 1.25 0.00 -0.15 0.64 -4.23 -1.26 -4.96 115.64 106.94 3i4m s THR 1048Ca 0.13 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 3i4m s THR 1048Cb -0.14 -2.32 -0.16 0.00 1.34 0.00 0.00 72.50 71.22 3i4m s THR 1048CO 0.06 0.00 3.33 0.47 -0.54 0.00 0.00 174.62 177.94 3i4m n ASP 1049N -0.79 5.64 -4.69 3.99 8.00 -1.26 -4.91 116.55 122.53 3i4m n ASP 1049Ca -0.05 -2.71 -0.23 0.00 0.71 0.00 0.00 54.79 52.50 3i4m n ASP 1049Cb 0.60 -1.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.28 3i4m n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i4m s ILE 1050N -0.07 3.54 0.00 0.53 1.09 -1.26 -5.07 121.20 119.98 3i4m s ILE 1050Ca 0.63 -1.79 -0.17 0.00 -1.10 0.00 0.00 60.65 58.22 3i4m s ILE 1050Cb 0.34 -2.97 0.03 0.00 -1.06 0.00 0.00 42.46 38.80 3i4m s ILE 1050CO -0.07 -0.34 0.38 0.42 -0.10 0.00 0.00 174.94 175.23 3i4m s THR 1051N -2.31 0.05 0.29 2.92 -4.23 -1.26 -4.88 115.64 106.22 3i4m s THR 1051Ca 0.33 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 3i4m s THR 1051Cb -0.06 -0.79 0.28 0.00 1.34 0.00 0.00 72.50 73.27 3i4m s THR 1051CO 0.21 -0.24 1.88 0.58 -0.54 0.00 0.00 174.62 176.51 3i4m h VAL 1052N 3.46 1.01 0.42 2.29 2.07 -1.98 0.62 116.25 124.14 3i4m h VAL 1052Ca -0.30 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3i4m h VAL 1052Cb 1.18 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i4m h VAL 1052CO 0.42 0.19 -0.20 -0.33 0.02 0.00 0.00 177.57 177.66 3i4m h GLU 1053N 1.04 -0.55 -0.93 1.57 4.39 -1.95 0.87 114.58 119.03 3i4m h GLU 1053Ca 0.44 0.04 0.23 0.00 0.34 0.00 0.00 59.36 60.41 3i4m h GLU 1053Cb 0.32 0.12 -0.17 0.00 -0.10 0.00 0.00 28.75 28.93 3i4m h GLU 1053CO -0.20 -0.34 -0.01 0.78 -1.16 0.00 0.00 179.01 178.08 3i4m h GLY 1054N -0.61 1.07 0.00 -3.84 0.00 -0.39 -1.71 103.07 97.59 3i4m h GLY 1054Ca -0.06 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 3i4m h GLY 1054CO 0.10 -0.43 -0.01 -2.22 0.00 0.00 0.00 176.54 173.97 3i4m h ILE 1055N 0.04 0.60 0.00 2.60 2.04 0.35 -3.31 117.51 119.83 3i4m h ILE 1055Ca 0.53 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3i4m h ILE 1055Cb 1.02 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3i4m h ILE 1055CO -0.87 0.20 0.84 0.28 0.00 0.00 0.00 178.15 178.60 3i4m h SER 1056N -1.00 0.00 0.42 1.72 0.02 0.12 1.88 113.55 116.71 3i4m h SER 1056Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 3i4m h SER 1056Cb 0.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3i4m h SER 1056CO -0.00 0.00 -1.55 0.11 -1.14 0.00 0.00 176.83 174.25 3i4m h LYS 1057N 0.00 0.28 0.12 3.45 1.57 -1.41 -3.02 116.57 117.55 3i4m h LYS 1057Ca 0.00 -0.47 -0.22 0.00 -1.87 0.00 0.00 60.65 58.09 3i4m h LYS 1057Cb 1.67 0.18 0.02 0.00 0.08 0.00 0.00 32.23 34.18 3i4m h LYS 1057CO 0.00 1.15 -0.92 -0.07 -0.57 0.00 0.00 179.45 179.04 3i4m h LEU 1058N 0.08 0.60 -2.78 2.94 3.38 0.27 -2.70 115.31 117.10 3i4m h LEU 1058Ca -0.25 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.84 3i4m h LEU 1058Cb 2.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 3i4m h LEU 1058CO 0.17 1.43 0.06 0.25 0.09 0.00 0.00 178.44 180.44 3i4m h LEU 1059N -0.13 0.00 0.00 1.67 5.85 -0.96 1.16 115.31 122.89 3i4m h LEU 1059Ca -0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3i4m h LEU 1059Cb 1.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3i4m h LEU 1059CO 0.18 0.00 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.70 3i4m h ARG 1060N 0.00 0.00 0.00 1.25 9.65 -1.38 -3.16 114.38 120.75 3i4m h ARG 1060Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i4m h ARG 1060Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3i4m h ARG 1060CO -0.00 0.00 0.00 0.39 2.80 0.00 0.00 179.97 183.16 3i4m n GLU 1061N -2.65 0.45 0.00 0.20 1.02 0.40 -2.80 120.64 117.25 3i4m n GLU 1061Ca 0.03 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 3i4m n GLU 1061Cb 0.51 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 3i4m n GLU 1061CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3i4m n HIS 1062N -1.22 0.00 0.00 -0.32 8.25 -1.16 -5.01 115.22 115.76 3i4m n HIS 1062Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3i4m n HIS 1062Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3i4m n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4m n GLY 1063N 1.09 2.52 3.90 -1.41 0.00 -1.12 -5.09 105.19 105.09 3i4m n GLY 1063Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3i4m n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i4m s TYR 1064N -2.61 3.54 0.21 1.61 1.51 -1.24 -4.99 117.35 115.37 3i4m s TYR 1064Ca 0.00 0.83 -0.22 0.00 -1.01 0.00 0.00 57.07 56.67 3i4m s TYR 1064Cb 0.00 -2.30 -0.14 0.00 -0.11 0.00 0.00 41.96 39.41 3i4m s TYR 1064CO 0.00 -0.20 0.34 0.94 -1.11 0.00 0.00 175.55 175.52 3i4m n GLN 1065N -1.97 0.00 0.28 -0.62 -0.06 -1.25 -4.29 117.38 109.46 3i4m n GLN 1065Ca 0.01 0.00 0.17 0.00 -2.00 0.00 0.00 57.00 55.18 3i4m n GLN 1065Cb 0.55 -0.83 0.70 0.00 -4.06 0.00 0.00 30.24 26.60 3i4m n GLN 1065CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3i4m h SER 1066N 0.69 0.00 -0.08 1.69 4.64 -1.86 -2.78 113.55 115.85 3i4m h SER 1066Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3i4m h SER 1066Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3i4m h SER 1066CO 0.45 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.95 3i4m n ARG 1067N -3.07 1.40 0.00 4.77 5.12 -1.26 -4.08 116.66 119.54 3i4m n ARG 1067Ca 0.00 -1.55 0.00 0.00 -1.93 0.00 0.00 57.85 54.38 3i4m n ARG 1067Cb 0.29 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 3i4m n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i4m n GLY 1068N 0.89 3.14 2.29 -0.13 0.00 -1.05 -4.95 105.19 105.37 3i4m n GLY 1068Ca 0.10 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 3i4m n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4m n PHE 1069N 0.00 -3.56 -3.54 1.61 3.01 -1.25 -4.18 117.46 109.55 3i4m n PHE 1069Ca 0.00 0.05 -0.16 0.00 1.01 0.00 0.00 57.45 58.35 3i4m n PHE 1069Cb 0.00 -1.09 -0.06 0.00 -0.01 0.00 0.00 39.48 38.33 3i4m n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i4m s GLU 1070N -1.53 0.92 0.60 -1.08 2.02 -0.78 -3.97 118.70 114.88 3i4m s GLU 1070Ca 0.30 0.27 -0.14 0.00 0.02 0.00 0.00 54.97 55.42 3i4m s GLU 1070Cb -0.10 0.44 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 3i4m s GLU 1070CO 0.61 -0.28 1.03 0.08 0.02 0.00 0.00 175.26 176.73 3i4m s VAL 1071N -1.08 4.24 0.07 2.63 1.01 -1.26 -1.63 120.40 124.37 3i4m s VAL 1071Ca -0.08 0.92 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 3i4m s VAL 1071Cb -0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 3i4m s VAL 1071CO 0.07 -0.76 0.17 -0.04 0.00 0.00 0.00 175.10 174.54 3i4m s MET 1072N -4.50 0.76 -0.13 2.72 -1.94 -1.26 -4.45 119.30 110.51 3i4m s MET 1072Ca 0.59 -0.85 -0.00 0.00 -1.71 0.00 0.00 55.69 53.72 3i4m s MET 1072Cb -0.13 0.31 -0.02 0.00 2.01 0.00 0.00 34.83 37.00 3i4m s MET 1072CO 0.42 -0.23 -0.13 0.71 -0.01 0.00 0.00 175.02 175.79 3i4m s TYR 1073N -3.34 2.81 -0.70 -0.03 1.51 0.21 -1.47 117.35 116.34 3i4m s TYR 1073Ca 0.01 -0.62 -0.28 0.00 -1.01 0.00 0.00 57.07 55.17 3i4m s TYR 1073Cb 0.03 -1.84 -0.13 0.00 -0.11 0.00 0.00 41.96 39.91 3i4m s TYR 1073CO -0.08 -0.19 2.53 -1.71 -1.11 0.00 0.00 175.55 174.98 3i4m n ASN 1074N 3.47 1.48 0.27 2.29 2.85 0.23 -2.18 115.26 123.67 3i4m n ASN 1074Ca -0.18 -0.26 0.02 0.00 -0.11 0.00 0.00 54.58 54.05 3i4m n ASN 1074Cb 0.53 -1.32 0.03 0.00 1.24 0.00 0.00 39.78 40.26 3i4m n ASN 1074CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i4m n GLY 1075N 6.21 -0.49 0.08 8.20 0.00 -1.25 -0.21 105.19 117.72 3i4m n GLY 1075Ca 0.49 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 3i4m n GLY 1075CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i4m h HIS 1076N 0.00 0.00 0.06 1.61 3.86 -1.79 -3.41 115.15 115.48 3i4m h HIS 1076Ca 0.04 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.88 3i4m h HIS 1076Cb 1.97 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.40 3i4m h HIS 1076CO 0.00 1.00 -2.14 0.25 0.86 0.00 0.00 177.93 177.90 3i4m n THR 1077N -4.57 1.64 0.00 2.45 -2.24 -0.74 -4.98 114.28 105.84 3i4m n THR 1077Ca -0.16 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3i4m n THR 1077Cb 0.48 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 3i4m n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4m n GLY 1078N 1.97 0.73 3.76 3.38 0.00 0.71 -5.05 105.19 110.70 3i4m n GLY 1078Ca -0.39 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 3i4m n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i4m s LYS 1079N -0.53 3.70 1.44 1.61 2.20 -1.25 -4.52 119.74 122.39 3i4m s LYS 1079Ca 0.00 2.05 -0.24 0.00 -0.36 0.00 0.00 55.97 57.42 3i4m s LYS 1079Cb 0.00 -2.52 0.37 0.00 -1.51 0.00 0.00 37.83 34.17 3i4m s LYS 1079CO 0.00 -0.68 0.93 1.63 -0.36 0.00 0.00 175.35 176.87 3i4m n LYS 1080N -0.35 -4.57 -4.01 4.03 5.02 -1.26 0.76 118.16 117.78 3i4m n LYS 1080Ca 0.06 -1.55 -0.33 0.00 -2.02 0.00 0.00 58.31 54.47 3i4m n LYS 1080Cb 0.45 -1.87 -0.15 0.00 -0.02 0.00 0.00 35.03 33.45 3i4m n LYS 1080CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i4m s LEU 1081N 0.00 3.24 0.63 -0.35 1.43 -0.54 -4.30 118.68 118.78 3i4m s LEU 1081Ca 0.69 -1.09 0.18 0.00 -1.03 0.00 0.00 54.13 52.87 3i4m s LEU 1081Cb -0.11 -1.60 0.66 0.00 0.03 0.00 0.00 46.19 45.17 3i4m s LEU 1081CO 0.57 -0.15 1.26 -0.03 0.23 0.00 0.00 176.35 178.22 3i4m h MET 1082N 7.91 0.00 -5.99 1.70 1.85 -1.94 -3.38 114.93 115.09 3i4m h MET 1082Ca -0.28 0.00 -0.54 0.00 -0.61 0.00 0.00 59.70 58.27 3i4m h MET 1082Cb 1.08 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 33.04 3i4m h MET 1082CO 0.54 0.00 -0.46 0.00 -0.40 0.00 0.00 176.91 176.58 3i4m s ALA 1083N -4.28 3.72 0.49 0.39 0.00 -1.26 -5.14 121.76 115.68 3i4m s ALA 1083Ca -0.02 -2.04 0.05 0.00 0.00 0.00 0.00 51.96 49.96 3i4m s ALA 1083Cb 0.09 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.68 3i4m s ALA 1083CO 0.30 -0.18 0.42 1.04 0.00 0.00 0.00 175.76 177.34 3i4m n GLN 1084N -1.33 0.75 -3.83 0.00 3.00 -1.26 -4.56 117.38 110.16 3i4m n GLN 1084Ca 0.00 -2.99 -0.12 0.00 -0.01 0.00 0.00 57.00 53.88 3i4m n GLN 1084Cb 0.64 0.24 -0.13 0.00 0.00 0.00 0.00 30.24 30.98 3i4m n GLN 1084CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3i4m s ILE 1085N -2.37 -0.00 -0.80 5.09 1.09 -0.65 -4.90 121.20 118.66 3i4m s ILE 1085Ca 0.32 0.02 -0.25 0.00 -1.10 0.00 0.00 60.65 59.63 3i4m s ILE 1085Cb -0.03 -0.15 -0.02 0.00 -1.06 0.00 0.00 42.46 41.20 3i4m s ILE 1085CO 0.20 0.01 1.79 0.12 -0.10 0.00 0.00 174.94 176.96 3i4m s PHE 1086N 0.14 1.89 -0.39 3.97 5.36 -1.26 -1.88 117.98 125.82 3i4m s PHE 1086Ca -0.01 0.43 -0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3i4m s PHE 1086Cb -0.02 -4.20 0.10 0.00 -0.34 0.00 0.00 43.02 38.57 3i4m s PHE 1086CO -0.00 -1.99 0.17 0.12 -1.46 0.00 0.00 175.22 172.05 3i4m s PHE 1087N 8.70 3.55 0.02 10.12 5.99 -1.26 -2.87 117.98 142.23 3i4m s PHE 1087Ca 0.63 -2.36 -0.28 0.00 0.00 0.00 0.00 56.93 54.92 3i4m s PHE 1087Cb -0.08 -3.05 0.08 0.00 0.00 0.00 0.00 43.02 39.97 3i4m s PHE 1087CO 0.07 -0.94 0.68 0.20 -0.00 0.00 0.00 175.22 175.23 3i4m s GLY 1088N 1.69 -0.57 0.89 13.12 0.00 -0.90 -4.87 107.32 116.68 3i4m s GLY 1088Ca 0.07 1.06 -0.12 0.00 0.00 0.00 0.00 44.72 45.72 3i4m s GLY 1088CO -0.04 0.65 0.78 -1.55 0.00 0.00 0.00 173.10 172.94 3i4m n PRO 1089N 0.38 -0.17 -3.67 2.90 -0.04 -1.26 -2.82 135.00 130.31 3i4m n PRO 1089Ca -0.17 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 3i4m n PRO 1089Cb 0.60 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.87 3i4m n PRO 1089CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i4m s THR 1090N -2.35 0.00 0.02 0.52 2.01 -0.82 -4.25 115.64 110.77 3i4m s THR 1090Ca 0.64 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 3i4m s THR 1090Cb -0.25 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 3i4m s THR 1090CO 0.61 -0.01 1.07 -0.47 -0.69 0.00 0.00 174.62 175.13 3i4m s TYR 1091N 0.16 3.55 -0.01 4.92 5.04 -1.26 -1.35 117.35 128.41 3i4m s TYR 1091Ca -0.01 1.52 0.04 0.00 -2.44 0.00 0.00 57.07 56.18 3i4m s TYR 1091Cb -0.04 -3.25 -0.01 0.00 0.35 0.00 0.00 41.96 39.01 3i4m s TYR 1091CO 0.01 -0.55 -0.12 0.71 -1.34 0.00 0.00 175.55 174.26 3i4m s TYR 1092N 1.11 1.09 -0.09 4.97 1.51 -0.36 -4.33 117.35 121.26 3i4m s TYR 1092Ca 0.55 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 56.38 3i4m s TYR 1092Cb -0.24 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3i4m s TYR 1092CO 0.28 -0.02 -0.02 -0.65 -1.11 0.00 0.00 175.55 174.02 3i4m s GLN 1093N -0.27 3.06 -0.54 -0.62 -0.21 0.17 -2.54 119.66 118.71 3i4m s GLN 1093Ca 0.04 -0.47 -0.20 0.00 0.02 0.00 0.00 55.36 54.76 3i4m s GLN 1093Cb -0.05 -2.77 0.07 0.00 1.00 0.00 0.00 33.01 31.27 3i4m s GLN 1093CO -0.00 0.60 0.69 0.50 -2.12 0.00 0.00 175.29 174.96 3i4m s ARG 1094N -0.62 3.12 0.47 2.91 3.52 -1.26 -1.35 118.95 125.74 3i4m s ARG 1094Ca 0.10 -0.95 -0.20 0.00 -0.13 0.00 0.00 55.73 54.55 3i4m s ARG 1094Cb -0.12 -4.15 -0.09 0.00 -1.56 0.00 0.00 34.95 29.04 3i4m s ARG 1094CO 0.02 -1.36 1.02 -0.51 -0.81 0.00 0.00 175.30 173.66 3i4m s LEU 1095N 2.84 3.86 0.75 -0.88 1.02 -1.24 -2.65 118.68 122.39 3i4m s LEU 1095Ca 0.16 1.88 -0.11 0.00 0.02 0.00 0.00 54.13 56.08 3i4m s LEU 1095Cb -0.20 -4.56 0.05 0.00 0.02 0.00 0.00 46.19 41.50 3i4m s LEU 1095CO 0.11 -0.70 1.09 0.00 0.02 0.00 0.00 176.35 176.87 3i4m s ARG 1096N -3.22 2.34 0.00 1.70 1.70 -1.07 -4.68 118.95 115.72 3i4m s ARG 1096Ca 0.66 1.20 0.00 0.00 -0.47 0.00 0.00 55.73 57.13 3i4m s ARG 1096Cb -0.15 -1.91 0.00 0.00 -0.57 0.00 0.00 34.95 32.33 3i4m s ARG 1096CO 0.19 -1.58 0.00 0.72 -1.08 0.00 0.00 175.30 173.54 3i4m n HIS 1097N -3.35 0.00 -4.54 5.89 8.25 -1.26 -4.92 115.22 115.29 3i4m n HIS 1097Ca 0.09 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 3i4m n HIS 1097Cb 0.53 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 3i4m n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3i4m s MET 1098N -0.31 3.52 0.00 -0.41 -1.94 -1.26 -3.49 119.30 115.40 3i4m s MET 1098Ca 0.00 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 3i4m s MET 1098Cb 0.00 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 34.04 3i4m s MET 1098CO 0.00 0.26 0.00 1.55 -0.01 0.00 0.00 175.02 176.82 3i4m n VAL 1099N 3.43 0.00 -0.28 -6.03 3.14 -1.25 -0.12 118.33 117.22 3i4m n VAL 1099Ca -0.18 0.00 0.34 0.00 -2.96 0.00 0.00 64.34 61.54 3i4m n VAL 1099Cb 0.53 0.00 0.74 0.00 -1.06 0.00 0.00 33.84 34.04 3i4m n VAL 1099CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3i4m h ASP 1100N 0.00 0.00 -0.02 6.55 3.32 -1.94 0.79 116.42 125.11 3i4m h ASP 1100Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i4m h ASP 1100Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i4m h ASP 1100CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 3i4m n ASP 1101N -4.11 0.24 0.03 6.45 8.00 0.83 -4.22 116.55 123.75 3i4m n ASP 1101Ca 0.24 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3i4m n ASP 1101Cb 1.20 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 3i4m n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i4m n LYS 1102N -0.62 0.00 -0.76 -1.24 5.02 0.27 -5.01 118.16 115.82 3i4m n LYS 1102Ca 0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 3i4m n LYS 1102Cb 0.10 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.54 3i4m n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i4m n ILE 1103N -3.26 0.00 -4.52 -0.18 -0.00 -0.75 -4.86 119.36 105.79 3i4m n ILE 1103Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.52 3i4m n ILE 1103Cb 0.24 -0.30 -0.16 0.00 -0.00 0.00 0.00 39.64 39.42 3i4m n ILE 1103CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 3i4m s HIS 1104N 3.79 1.22 -0.07 1.39 5.65 -1.26 -5.00 115.29 121.00 3i4m s HIS 1104Ca 0.72 -0.35 -0.04 0.00 0.25 0.00 0.00 55.06 55.64 3i4m s HIS 1104Cb -0.87 -0.87 0.04 0.00 -1.18 0.00 0.00 32.58 29.70 3i4m s HIS 1104CO 0.38 -0.15 0.17 0.00 -0.65 0.00 0.00 174.74 174.48 3i4m s ALA 1105N 0.28 -0.35 -0.04 1.58 0.00 -1.26 -5.08 121.76 116.89 3i4m s ALA 1105Ca -0.06 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3i4m s ALA 1105Cb -0.11 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.57 3i4m s ALA 1105CO 0.01 -0.15 -0.06 0.50 0.00 0.00 0.00 175.76 176.06 3i4m s ARG 1106N 1.00 0.95 -0.54 0.00 3.52 -1.26 -5.05 118.95 117.56 3i4m s ARG 1106Ca -0.08 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.40 3i4m s ARG 1106Cb -0.09 -0.90 0.14 0.00 -1.56 0.00 0.00 34.95 32.54 3i4m s ARG 1106CO -0.05 -0.04 0.31 0.00 -0.81 0.00 0.00 175.30 174.71 3i4m s ALA 1107N 0.78 3.13 0.49 6.12 0.00 -1.26 -4.97 121.76 126.05 3i4m s ALA 1107Ca -0.11 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.60 3i4m s ALA 1107Cb -0.14 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3i4m s ALA 1107CO 0.01 -2.05 0.00 -2.13 0.00 0.00 0.00 175.76 171.59 3i4m n ARG 1108N 2.91 -3.29 0.00 0.00 0.63 -1.26 -5.07 116.66 110.58 3i4m n ARG 1108Ca 0.10 2.57 0.00 0.00 -0.92 0.00 0.00 57.85 59.60 3i4m n ARG 1108Cb 0.34 -3.39 0.00 0.00 0.45 0.00 0.00 32.46 29.86 3i4m n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i4m n GLY 1109N -2.79 -0.50 2.97 5.14 0.00 -1.26 -5.11 105.19 103.63 3i4m n GLY 1109Ca -0.01 -0.61 -0.54 0.00 0.00 0.00 0.00 46.02 44.86 3i4m n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4m n PRO 1110N 0.00 0.00 -4.98 1.61 -0.04 -1.26 -4.92 135.00 125.41 3i4m n PRO 1110Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 3i4m n PRO 1110Cb 0.00 -1.19 -0.17 0.00 -0.04 0.00 0.00 33.50 32.10 3i4m n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i4m s MET 1111N 2.22 2.59 0.95 0.54 -1.94 -1.26 -2.43 119.30 119.97 3i4m s MET 1111Ca 0.83 -0.72 -0.15 0.00 -1.71 0.00 0.00 55.69 53.94 3i4m s MET 1111Cb -1.18 -2.00 0.07 0.00 2.01 0.00 0.00 34.83 33.73 3i4m s MET 1111CO 0.64 0.12 -0.10 0.94 -0.01 0.00 0.00 175.02 176.61 3i4m n GLN 1112N 3.65 -1.43 -0.09 2.03 7.27 0.80 -4.83 117.38 124.78 3i4m n GLN 1112Ca -0.20 -0.42 -0.14 0.00 0.07 0.00 0.00 57.00 56.31 3i4m n GLN 1112Cb 0.52 -1.36 -0.08 0.00 2.41 0.00 0.00 30.24 31.73 3i4m n GLN 1112CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i4m n VAL 1113N -4.04 1.04 0.09 1.69 0.31 -1.26 -3.30 118.33 112.85 3i4m n VAL 1113Ca 0.03 -0.38 -0.12 0.00 -0.01 0.00 0.00 64.34 63.85 3i4m n VAL 1113Cb 0.41 -1.22 -0.09 0.00 -0.91 0.00 0.00 33.84 32.04 3i4m n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3i4m h LEU 1114N -0.09 0.31 0.01 7.52 5.85 -1.98 -3.35 115.31 123.58 3i4m h LEU 1114Ca -0.42 -0.30 -0.35 0.00 0.84 0.00 0.00 57.88 57.66 3i4m h LEU 1114Cb 1.60 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 3i4m h LEU 1114CO -0.09 1.18 -2.16 0.41 -0.34 0.00 0.00 178.44 177.43 3i4m n THR 1115N -3.56 1.49 -1.22 1.05 -1.04 -1.26 -4.97 114.28 104.77 3i4m n THR 1115Ca -0.05 -0.81 -0.08 0.00 -2.04 0.00 0.00 64.05 61.08 3i4m n THR 1115Cb 0.93 -0.78 -0.03 0.00 -1.82 0.00 0.00 70.33 68.62 3i4m n THR 1115CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i4m n ARG 1116N -2.92 -0.97 -3.36 -2.82 1.74 -1.21 -4.46 116.66 102.65 3i4m n ARG 1116Ca -0.29 0.68 -0.19 0.00 -0.77 0.00 0.00 57.85 57.29 3i4m n ARG 1116Cb 1.11 -4.65 -0.01 0.00 -1.02 0.00 0.00 32.46 27.89 3i4m n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i4m s GLN 1117N -2.31 2.89 0.99 5.56 -0.21 -1.26 -4.51 119.66 120.80 3i4m s GLN 1117Ca 0.00 -1.20 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 3i4m s GLN 1117Cb 0.00 -2.70 0.09 0.00 1.00 0.00 0.00 33.01 31.40 3i4m s GLN 1117CO 0.00 -0.08 0.53 -2.30 -2.12 0.00 0.00 175.29 171.32 3i4m n PRO 1118N -1.67 -0.72 -3.84 2.91 -0.02 -1.26 -0.14 135.00 130.25 3i4m n PRO 1118Ca 0.03 -0.17 -0.32 0.00 -2.02 0.00 0.00 63.50 61.02 3i4m n PRO 1118Cb 0.59 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 3i4m n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i4m s VAL 1119N -2.42 5.33 0.61 -1.45 -7.23 -1.02 -4.38 120.40 109.85 3i4m s VAL 1119Ca 0.60 -0.21 -0.18 0.00 -1.81 0.00 0.00 61.98 60.38 3i4m s VAL 1119Cb -0.20 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 3i4m s VAL 1119CO 0.65 0.16 1.19 -0.70 -0.31 0.00 0.00 175.10 176.10 3i4m s GLU 1120N -2.40 2.90 0.11 4.82 2.12 -1.26 -2.65 118.70 122.34 3i4m s GLU 1120Ca 0.35 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.44 3i4m s GLU 1120Cb -0.13 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.34 3i4m s GLU 1120CO 0.25 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 3i4m n GLY 1121N 0.38 -3.37 0.14 -1.50 0.00 -1.26 -4.48 105.19 95.10 3i4m n GLY 1121Ca 0.13 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 3i4m n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i4m h ARG 1122N 0.38 0.26 -0.89 1.61 0.11 -1.90 -0.41 114.38 113.54 3i4m h ARG 1122Ca 0.00 -0.27 0.25 0.00 0.10 0.00 0.00 59.98 60.05 3i4m h ARG 1122Cb 0.00 0.08 -0.04 0.00 1.11 0.00 0.00 29.97 31.11 3i4m h ARG 1122CO 0.00 0.98 0.63 0.66 0.10 0.00 0.00 179.97 182.34 3i4m h SER 1123N 0.15 0.11 -0.49 0.08 4.64 -1.96 0.35 113.55 116.42 3i4m h SER 1123Ca -0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3i4m h SER 1123Cb 1.49 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3i4m h SER 1123CO 0.14 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 3i4m n ARG 1124N -4.34 3.33 -1.22 4.77 1.74 -1.13 -4.89 116.66 114.92 3i4m n ARG 1124Ca 0.19 -2.66 -0.07 0.00 -0.77 0.00 0.00 57.85 54.53 3i4m n ARG 1124Cb 0.89 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 3i4m n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i4m n ASP 1125N 0.63 -4.22 -3.16 0.55 -0.08 0.12 -4.84 116.55 105.55 3i4m n ASP 1125Ca 0.21 0.19 -0.19 0.00 -1.51 0.00 0.00 54.79 53.49 3i4m n ASP 1125Cb 0.77 -2.38 0.17 0.00 2.34 0.00 0.00 41.12 42.02 3i4m n ASP 1125CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i4m n GLY 1126N -1.64 -3.14 3.78 0.27 0.00 -0.18 -4.61 105.19 99.68 3i4m n GLY 1126Ca -0.07 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 3i4m n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i4m s GLY 1127N -3.33 2.17 0.65 -0.02 0.00 -1.08 -4.63 107.32 101.07 3i4m s GLY 1127Ca 0.44 -1.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.08 3i4m s GLY 1127CO 0.35 -1.80 1.05 1.08 0.00 0.00 0.00 173.10 173.78 3i4m s LEU 1128N -3.96 3.13 -0.12 0.66 1.43 -1.26 -4.73 118.68 113.83 3i4m s LEU 1128Ca 0.43 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 3i4m s LEU 1128Cb 0.00 -4.33 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 3i4m s LEU 1128CO 0.24 -1.05 0.24 -0.60 0.23 0.00 0.00 176.35 175.41 3i4m s ARG 1129N -5.21 3.89 -0.63 1.70 3.52 -1.26 -4.98 118.95 115.98 3i4m s ARG 1129Ca 0.56 0.04 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 3i4m s ARG 1129Cb -0.11 -3.30 0.38 0.00 -1.56 0.00 0.00 34.95 30.36 3i4m s ARG 1129CO 0.54 0.53 1.49 0.34 -0.81 0.00 0.00 175.30 177.39 3i4m n PHE 1130N 2.63 3.26 -0.17 5.12 7.35 -1.26 -5.06 117.46 129.33 3i4m n PHE 1130Ca -0.16 -2.84 -0.09 0.00 -0.76 0.00 0.00 57.45 53.61 3i4m n PHE 1130Cb 0.53 -0.59 0.08 0.00 0.35 0.00 0.00 39.48 39.86 3i4m n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i4m n GLY 1131N -0.47 -2.49 0.20 7.13 0.00 -1.26 -4.40 105.19 103.90 3i4m n GLY 1131Ca 0.45 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 3i4m n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i4m h GLU 1132N 0.00 -0.03 -0.67 1.61 5.08 -1.99 -2.21 114.58 116.36 3i4m h GLU 1132Ca -0.11 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3i4m h GLU 1132Cb 0.37 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 3i4m h GLU 1132CO 0.07 -0.02 -0.25 -1.33 -1.00 0.00 0.00 179.01 176.47 3i4m n MET 1133N -4.03 -0.15 -0.12 2.33 2.81 -1.26 0.13 117.12 116.83 3i4m n MET 1133Ca 0.00 1.03 -0.05 0.00 -1.81 0.00 0.00 57.70 56.88 3i4m n MET 1133Cb 0.13 -1.54 0.14 0.00 -0.71 0.00 0.00 33.22 31.25 3i4m n MET 1133CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3i4m h GLU 1134N 0.00 0.82 0.86 0.03 3.07 -1.71 -2.09 114.58 115.56 3i4m h GLU 1134Ca 0.24 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 3i4m h GLU 1134Cb 0.41 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3i4m h GLU 1134CO -0.67 0.83 -0.43 -0.09 -1.40 0.00 0.00 179.01 177.26 3i4m h ARG 1135N 0.76 -1.13 -0.92 2.33 2.43 0.16 -1.52 114.38 116.49 3i4m h ARG 1135Ca 0.14 0.08 0.20 0.00 -0.81 0.00 0.00 59.98 59.59 3i4m h ARG 1135Cb 0.48 0.26 -0.17 0.00 -0.42 0.00 0.00 29.97 30.11 3i4m h ARG 1135CO 0.02 -0.75 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.13 3i4m h ASP 1136N -1.17 -0.73 -0.32 -3.80 3.32 -1.12 0.17 116.42 112.78 3i4m h ASP 1136Ca -0.12 0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.27 3i4m h ASP 1136Cb 0.90 0.53 -0.08 0.00 0.22 0.00 0.00 39.33 40.91 3i4m h ASP 1136CO 0.19 -0.30 -0.23 0.00 -1.72 0.00 0.00 179.24 177.18 3i4m h MET 1138N -0.19 0.81 -0.21 0.00 2.86 0.29 -2.03 114.93 116.45 3i4m h MET 1138Ca 0.16 -0.17 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 3i4m h MET 1138Cb 0.45 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 3i4m h MET 1138CO -0.43 0.73 -0.31 0.82 1.06 0.00 0.00 176.91 178.79 3i4m h ILE 1139N 0.72 0.29 -0.47 -1.22 2.04 -0.66 -0.80 117.51 117.42 3i4m h ILE 1139Ca 0.17 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.08 3i4m h ILE 1139Cb 0.25 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 3i4m h ILE 1139CO -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.70 3i4m h ALA 1140N 0.56 -0.60 -0.92 1.87 0.00 -0.99 0.11 119.26 119.29 3i4m h ALA 1140Ca 0.12 0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.32 3i4m h ALA 1140Cb 0.53 1.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 3i4m h ALA 1140CO -0.40 -0.85 0.89 0.45 0.00 0.00 0.00 179.25 179.34 3i4m h HIS 1141N -0.21 0.00 0.00 0.00 3.86 -0.45 -3.44 115.15 114.91 3i4m h HIS 1141Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3i4m h HIS 1141Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3i4m h HIS 1141CO -0.80 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.40 3i4m n GLY 1142N -1.66 0.73 2.17 2.45 0.00 0.39 -4.94 105.19 104.33 3i4m n GLY 1142Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i4m n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m n ALA 1143N -0.68 1.22 -0.32 4.61 0.00 -1.06 -4.78 120.51 119.50 3i4m n ALA 1143Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i4m n ALA 1143Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3i4m n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n ALA 1144N 2.24 0.00 -0.14 0.00 0.00 -1.26 -1.68 120.51 119.67 3i4m n ALA 1144Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i4m n ALA 1144Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 3i4m n ALA 1144CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i4m h SER 1145N 0.00 -1.41 -0.94 0.00 0.02 -2.00 -2.43 113.55 106.79 3i4m h SER 1145Ca 0.00 0.19 0.16 0.00 -0.84 0.00 0.00 61.79 61.30 3i4m h SER 1145Cb 0.00 0.58 -0.16 0.00 0.14 0.00 0.00 62.40 62.96 3i4m h SER 1145CO 0.00 -0.27 -0.32 0.15 -1.14 0.00 0.00 176.83 175.24 3i4m h PHE 1146N -0.24 -0.85 0.01 3.45 3.57 -1.92 0.27 116.94 121.23 3i4m h PHE 1146Ca 0.06 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3i4m h PHE 1146Cb 0.41 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 3i4m h PHE 1146CO -0.75 -0.40 -0.45 1.25 -2.23 0.00 0.00 178.31 175.72 3i4m h LEU 1147N -0.02 -1.38 -0.42 0.59 6.46 -0.83 0.00 115.31 119.72 3i4m h LEU 1147Ca 0.38 0.16 0.09 0.00 -0.12 0.00 0.00 57.88 58.39 3i4m h LEU 1147Cb 0.63 0.53 -0.09 0.00 -0.73 0.00 0.00 40.66 41.01 3i4m h LEU 1147CO -0.95 -0.48 -0.17 0.50 -0.62 0.00 0.00 178.44 176.71 3i4m h LYS 1148N -0.61 -0.08 -0.85 1.25 3.11 -0.69 0.59 116.57 119.29 3i4m h LYS 1148Ca 0.04 0.01 0.16 0.00 -2.81 0.00 0.00 60.65 58.05 3i4m h LYS 1148Cb 0.68 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 31.83 3i4m h LYS 1148CO -0.33 -0.05 0.41 1.49 -2.81 0.00 0.00 179.45 178.16 3i4m h GLU 1149N -0.08 0.53 0.00 1.90 4.81 0.50 0.47 114.58 122.71 3i4m h GLU 1149Ca 0.21 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3i4m h GLU 1149Cb 0.40 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3i4m h GLU 1149CO -0.48 0.35 -0.22 0.00 -0.73 0.00 0.00 179.01 177.93 3i4m h ARG 1150N 0.54 0.00 0.00 1.92 2.47 0.21 -1.71 114.38 117.81 3i4m h ARG 1150Ca 0.48 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 59.08 3i4m h ARG 1150Cb 0.76 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 3i4m h ARG 1150CO -0.41 0.22 -0.64 -0.07 0.56 0.00 0.00 179.97 179.63 3i4m h LEU 1151N 0.00 0.00 0.00 3.04 -0.00 0.15 -3.39 115.31 115.11 3i4m h LEU 1151Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3i4m h LEU 1151Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 3i4m h LEU 1151CO 0.03 0.56 0.00 0.23 -0.00 0.00 0.00 178.44 179.26 3i4m n MET 1152N -3.21 0.00 -0.31 1.13 2.81 0.14 -4.09 117.12 113.60 3i4m n MET 1152Ca 0.01 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 3i4m n MET 1152Cb 0.77 0.00 0.31 0.00 -0.71 0.00 0.00 33.22 33.59 3i4m n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3i4m h GLU 1153N 0.00 0.17 -0.99 0.03 3.07 -1.63 0.52 114.58 115.75 3i4m h GLU 1153Ca 0.00 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.65 3i4m h GLU 1153Cb 0.00 -0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 27.75 3i4m h GLU 1153CO 0.00 0.11 0.25 0.00 -1.40 0.00 0.00 179.01 177.97 3i4m n ALA 1154N -2.72 3.71 -2.00 3.43 0.00 -0.69 -4.86 120.51 117.38 3i4m n ALA 1154Ca 0.23 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3i4m n ALA 1154Cb 0.74 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3i4m n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i4m n SER 1155N -0.14 0.00 0.00 0.00 2.88 0.18 -4.90 113.62 111.65 3i4m n SER 1155Ca 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 3i4m n SER 1155Cb 0.95 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 3i4m n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3i4m n ASP 1156N 0.00 0.00 -1.13 -3.46 8.00 -1.20 -4.92 116.55 113.84 3i4m n ASP 1156Ca 0.00 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.41 3i4m n ASP 1156Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3i4m n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m n ALA 1157N -2.44 -1.00 -2.43 2.24 0.00 -1.19 -4.33 120.51 111.35 3i4m n ALA 1157Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i4m n ALA 1157Cb 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 3i4m n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3i4m s PHE 1158N 0.00 0.96 -0.06 0.00 5.36 0.17 -4.73 117.98 119.67 3i4m s PHE 1158Ca 0.00 -1.22 0.01 0.00 -0.96 0.00 0.00 56.93 54.76 3i4m s PHE 1158Cb 0.00 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.32 3i4m s PHE 1158CO 0.00 -0.72 -0.06 0.50 -1.46 0.00 0.00 175.22 173.48 3i4m s ARG 1159N -4.12 1.09 0.43 10.12 3.00 -1.26 -2.26 118.95 125.95 3i4m s ARG 1159Ca 0.35 -0.16 0.03 0.00 -1.00 0.00 0.00 55.73 54.95 3i4m s ARG 1159Cb 0.05 -1.10 -0.02 0.00 0.00 0.00 0.00 34.95 33.88 3i4m s ARG 1159CO 0.11 -0.12 0.10 0.14 0.00 0.00 0.00 175.30 175.53 3i4m s VAL 1160N 1.15 0.76 0.05 7.11 -7.23 -1.05 -4.98 120.40 116.20 3i4m s VAL 1160Ca -0.07 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 3i4m s VAL 1160Cb -0.14 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3i4m s VAL 1160CO -0.01 0.00 -0.26 -1.00 -0.31 0.00 0.00 175.10 173.52 3i4m s HIS 1161N -3.13 2.30 0.19 2.82 3.76 -1.26 -1.98 115.29 117.99 3i4m s HIS 1161Ca 0.20 -0.41 0.10 0.00 -0.15 0.00 0.00 55.06 54.80 3i4m s HIS 1161Cb 0.03 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 3i4m s HIS 1161CO 0.12 0.13 -0.14 0.42 -0.85 0.00 0.00 174.74 174.42 3i4m s ILE 1162N -0.82 2.91 -0.02 0.60 1.01 0.21 -4.29 121.20 120.80 3i4m s ILE 1162Ca 0.12 -1.83 -0.20 0.00 0.00 0.00 0.00 60.65 58.74 3i4m s ILE 1162Cb -0.10 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3i4m s ILE 1162CO 0.02 -0.14 0.58 0.00 0.00 0.00 0.00 174.94 175.39 3i4m n GLY 1164N 2.56 -0.75 0.01 0.00 0.00 -0.90 -4.13 105.19 101.98 3i4m n GLY 1164Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i4m n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i4m n ILE 1165N -1.47 0.00 -2.44 -0.61 5.41 -1.26 -4.86 119.36 114.14 3i4m n ILE 1165Ca 0.02 0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.37 3i4m n ILE 1165Cb 0.09 -0.93 -0.02 0.00 -0.71 0.00 0.00 39.64 38.07 3i4m n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4m n GLY 1167N 5.10 0.58 3.82 0.00 0.00 -1.26 -4.08 105.19 109.35 3i4m n GLY 1167Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3i4m n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4m s LEU 1168N 0.00 3.33 0.00 0.99 1.43 -1.26 0.46 118.68 123.63 3i4m s LEU 1168Ca 0.00 -0.80 0.08 0.00 -1.03 0.00 0.00 54.13 52.38 3i4m s LEU 1168Cb 0.00 -1.88 0.25 0.00 0.03 0.00 0.00 46.19 44.59 3i4m s LEU 1168CO 0.00 -0.54 1.20 0.23 0.23 0.00 0.00 176.35 177.47 3i4m n MET 1169N -1.40 1.52 -0.37 1.70 2.81 -1.26 -2.98 117.12 117.15 3i4m n MET 1169Ca 0.01 -0.81 0.01 0.00 -1.81 0.00 0.00 57.70 55.09 3i4m n MET 1169Cb 0.62 -1.19 0.07 0.00 -0.71 0.00 0.00 33.22 32.01 3i4m n MET 1169CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3i4m h THR 1170N 1.34 0.00 -0.07 2.03 2.02 -1.91 -3.45 112.91 112.88 3i4m h THR 1170Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3i4m h THR 1170Cb 0.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3i4m h THR 1170CO 0.00 0.00 -0.00 0.52 0.37 0.00 0.00 175.52 176.41 3i4m n VAL 1171N -5.51 0.03 -3.42 3.16 0.31 -1.26 -4.76 118.33 106.88 3i4m n VAL 1171Ca 0.12 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 3i4m n VAL 1171Cb 0.43 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.33 3i4m n VAL 1171CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i4m n ILE 1172N 0.09 4.09 -1.76 2.52 2.08 -1.03 -4.86 119.36 120.48 3i4m n ILE 1172Ca 0.01 -5.33 -0.37 0.00 0.56 0.00 0.00 62.75 57.62 3i4m n ILE 1172Cb 0.01 -2.49 -0.03 0.00 -0.75 0.00 0.00 39.64 36.38 3i4m n ILE 1172CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i4m s ALA 1173N -1.43 1.91 -0.37 -1.39 0.00 -1.26 -4.30 121.76 114.92 3i4m s ALA 1173Ca 0.30 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.12 3i4m s ALA 1173Cb -0.08 -4.31 0.62 0.00 0.00 0.00 0.00 23.12 19.35 3i4m s ALA 1173CO -0.08 -4.14 1.66 1.63 0.00 0.00 0.00 175.76 174.83 3i4m n LYS 1174N 9.06 3.13 0.00 0.00 5.02 -1.00 -4.93 118.16 129.42 3i4m n LYS 1174Ca 0.30 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 3i4m n LYS 1174Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 3i4m n LYS 1174CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i4m n LEU 1175N -0.20 0.00 0.00 -0.35 4.77 -1.26 -2.42 117.00 117.54 3i4m n LEU 1175Ca 0.37 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3i4m n LEU 1175Cb 1.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.37 3i4m n LEU 1175CO 0.40 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.26 3i4m n ASN 1176N 0.00 0.00 -0.11 -1.43 2.85 -1.26 -4.81 115.26 110.50 3i4m n ASN 1176Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 3i4m n ASN 1176Cb 0.00 0.05 0.03 0.00 1.24 0.00 0.00 39.78 41.10 3i4m n ASN 1176CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3i4m n HIS 1177N -1.35 0.08 0.00 1.20 8.25 -1.01 -4.98 115.22 117.40 3i4m n HIS 1177Ca 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 3i4m n HIS 1177Cb 0.00 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3i4m n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i4m n ASN 1178N -0.32 0.00 -3.04 0.41 3.02 -1.25 -4.90 115.26 109.18 3i4m n ASN 1178Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 3i4m n ASN 1178Cb 0.28 -0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3i4m n ASN 1178CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m n GLN 1179N -0.69 0.00 0.00 3.52 6.02 -1.26 -4.58 117.38 120.40 3i4m n GLN 1179Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i4m n GLN 1179Cb 0.00 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.41 3i4m n GLN 1179CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3i4m n PHE 1180N 0.49 0.00 0.00 1.08 3.01 -1.26 -2.39 117.46 118.39 3i4m n PHE 1180Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 3i4m n PHE 1180Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 3i4m n PHE 1180CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i4m n GLU 1181N -0.93 0.00 -1.41 -1.08 -0.58 -1.26 -2.45 120.64 112.93 3i4m n GLU 1181Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 3i4m n GLU 1181Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 3i4m n GLU 1181CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i4m n LYS 1183N -2.55 0.00 0.00 0.00 2.85 -1.26 -3.03 118.16 114.17 3i4m n LYS 1183Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 3i4m n LYS 1183Cb 0.31 -0.63 0.00 0.00 -0.65 0.00 0.00 35.03 34.06 3i4m n LYS 1183CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i4m n GLY 1184N 2.16 2.10 0.09 2.58 0.00 -1.26 -3.83 105.19 107.02 3i4m n GLY 1184Ca -0.01 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.75 3i4m n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4m n ASP 1186N -2.68 -6.49 0.00 0.00 -0.08 -1.20 -5.03 116.55 101.07 3i4m n ASP 1186Ca -0.06 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.15 3i4m n ASP 1186Cb 0.68 -3.20 0.00 0.00 2.34 0.00 0.00 41.12 40.95 3i4m n ASP 1186CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3i4m n ASN 1187N 1.34 0.00 0.00 1.67 2.85 -0.97 -4.95 115.26 115.20 3i4m n ASN 1187Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 3i4m n ASN 1187Cb 0.29 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.31 3i4m n ASN 1187CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3i4m n LYS 1188N -0.04 -0.20 0.00 1.20 4.81 -0.36 -4.69 118.16 118.87 3i4m n LYS 1188Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3i4m n LYS 1188Cb 0.00 -3.27 0.00 0.00 0.02 0.00 0.00 35.03 31.78 3i4m n LYS 1188CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3i4m n ILE 1189N -2.23 0.00 -3.37 3.15 3.06 -1.26 -4.50 119.36 114.21 3i4m n ILE 1189Ca 0.00 0.00 -0.45 0.00 -2.50 0.00 0.00 62.75 59.80 3i4m n ILE 1189Cb 0.05 -0.19 -0.05 0.00 0.54 0.00 0.00 39.64 39.99 3i4m n ILE 1189CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3i4m s ASP 1190N -3.43 6.26 0.03 9.51 2.15 -1.26 -5.03 116.67 124.90 3i4m s ASP 1190Ca 0.00 -2.15 -0.06 0.00 0.43 0.00 0.00 52.55 50.77 3i4m s ASP 1190Cb 0.00 -2.17 -0.01 0.00 -0.30 0.00 0.00 42.92 40.45 3i4m s ASP 1190CO 0.00 -0.72 0.10 -0.63 -0.17 0.00 0.00 175.17 173.75 3i4m s ILE 1191N 1.02 0.12 0.17 4.11 1.01 -1.26 -2.12 121.20 124.25 3i4m s ILE 1191Ca 0.09 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.76 3i4m s ILE 1191Cb -0.23 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 3i4m s ILE 1191CO -0.02 -0.57 -0.10 -0.31 0.00 0.00 0.00 174.94 173.94 3i4m s TYR 1192N -2.42 1.38 -0.11 3.97 1.51 -1.08 -4.94 117.35 115.67 3i4m s TYR 1192Ca -0.07 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 3i4m s TYR 1192Cb -0.02 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.12 3i4m s TYR 1192CO -0.04 0.14 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.26 3i4m s GLN 1193N -3.73 3.18 0.01 -0.62 0.74 -1.26 -0.62 119.66 117.36 3i4m s GLN 1193Ca 0.19 -0.70 -0.00 0.00 0.05 0.00 0.00 55.36 54.89 3i4m s GLN 1193Cb 0.02 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.56 3i4m s GLN 1193CO 0.02 0.29 -0.01 0.96 -0.55 0.00 0.00 175.29 176.00 3i4m s ILE 1194N 0.13 0.08 -0.24 -2.34 -4.36 -0.84 -5.00 121.20 108.64 3i4m s ILE 1194Ca -0.07 -0.67 -0.09 0.00 -0.26 0.00 0.00 60.65 59.56 3i4m s ILE 1194Cb -0.15 -0.21 -0.04 0.00 1.25 0.00 0.00 42.46 43.31 3i4m s ILE 1194CO 0.05 -0.37 0.12 -1.00 0.24 0.00 0.00 174.94 173.98 3i4m s HIS 1195N -1.09 3.21 0.33 1.37 3.76 -1.26 -2.54 115.29 119.08 3i4m s HIS 1195Ca -0.12 -0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 54.74 3i4m s HIS 1195Cb -0.07 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.38 3i4m s HIS 1195CO -0.01 -0.08 0.47 0.96 -0.85 0.00 0.00 174.74 175.24 3i4m s ILE 1196N 1.19 0.00 -0.08 0.60 -4.36 -0.96 -4.98 121.20 112.60 3i4m s ILE 1196Ca 0.06 -1.58 -0.23 0.00 -0.26 0.00 0.00 60.65 58.64 3i4m s ILE 1196Cb -0.14 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 3i4m s ILE 1196CO 0.05 0.00 0.69 -2.16 0.24 0.00 0.00 174.94 173.75 3i4m s PRO 1197N -3.16 4.41 0.63 0.37 0.04 -1.26 -0.66 135.00 135.37 3i4m s PRO 1197Ca 0.30 0.84 0.19 0.00 0.04 0.00 0.00 61.00 62.37 3i4m s PRO 1197Cb -0.00 -3.46 0.83 0.00 0.04 0.00 0.00 34.50 31.90 3i4m s PRO 1197CO 0.19 0.03 1.39 -0.92 0.04 0.00 0.00 177.00 177.73 3i4m h TYR 1198N 6.83 0.00 0.50 0.56 3.20 -1.85 1.10 116.97 127.31 3i4m h TYR 1198Ca -0.40 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 3i4m h TYR 1198Cb 1.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3i4m h TYR 1198CO 0.65 0.00 -0.24 0.00 -1.64 0.00 0.00 178.16 176.93 3i4m h ALA 1199N 0.62 -0.67 -0.90 1.82 0.00 -1.90 -0.68 119.26 117.54 3i4m h ALA 1199Ca 0.23 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i4m h ALA 1199Cb 2.07 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 20.07 3i4m h ALA 1199CO -0.00 -0.76 0.59 0.00 0.00 0.00 0.00 179.25 179.08 3i4m h ALA 1200N -0.56 1.43 -0.13 0.00 0.00 0.83 0.33 119.26 121.16 3i4m h ALA 1200Ca -0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i4m h ALA 1200Cb 0.60 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3i4m h ALA 1200CO 0.11 0.48 -0.31 -0.22 0.00 0.00 0.00 179.25 179.31 3i4m h LYS 1201N 1.13 -0.37 0.35 0.00 3.11 -1.03 0.90 116.57 120.65 3i4m h LYS 1201Ca 0.36 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.22 3i4m h LYS 1201Cb 0.02 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 3i4m h LYS 1201CO -0.11 -0.25 -0.42 1.25 -2.81 0.00 0.00 179.45 177.12 3i4m h LEU 1202N -0.39 -1.17 -1.64 5.20 5.85 -0.13 -1.21 115.31 121.82 3i4m h LEU 1202Ca 0.10 0.10 0.48 0.00 0.84 0.00 0.00 57.88 59.39 3i4m h LEU 1202Cb 0.54 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 3i4m h LEU 1202CO -0.35 -0.53 1.31 -0.11 -0.34 0.00 0.00 178.44 178.42 3i4m n LEU 1203N -4.92 0.00 -0.08 2.25 7.94 0.11 0.12 117.00 122.42 3i4m n LEU 1203Ca -0.09 0.88 -0.17 0.00 -1.11 0.00 0.00 56.01 55.52 3i4m n LEU 1203Cb 0.37 -0.41 -0.13 0.00 0.53 0.00 0.00 43.42 43.78 3i4m n LEU 1203CO 0.20 -0.88 0.06 -0.26 -1.11 0.00 0.00 177.39 175.39 3i4m h PHE 1204N 0.00 0.02 -0.63 1.96 0.05 0.34 -1.35 116.94 117.32 3i4m h PHE 1204Ca 0.78 -0.01 -0.03 0.00 3.82 0.00 0.00 57.97 62.52 3i4m h PHE 1204Cb 3.39 -0.00 -0.03 0.00 2.00 0.00 0.00 35.95 41.30 3i4m h PHE 1204CO 0.00 1.18 0.27 1.96 -0.18 0.00 0.00 178.31 181.54 3i4m h GLN 1205N -0.97 0.92 -0.58 1.51 4.20 0.10 0.44 115.11 120.71 3i4m h GLN 1205Ca -0.13 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.48 3i4m h GLN 1205Cb 1.13 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 3i4m h GLN 1205CO -0.07 0.74 0.35 0.93 -0.67 0.00 0.00 178.83 180.11 3i4m h GLU 1206N 0.90 0.65 -0.22 1.46 5.08 0.83 0.51 114.58 123.80 3i4m h GLU 1206Ca 0.22 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 3i4m h GLU 1206Cb 0.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i4m h GLU 1206CO -0.02 0.43 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.89 3i4m h LEU 1207N 0.67 0.62 -0.60 1.33 3.38 -0.27 -2.93 115.31 117.51 3i4m h LEU 1207Ca 0.24 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i4m h LEU 1207Cb 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3i4m h LEU 1207CO -0.12 0.99 0.40 0.24 0.09 0.00 0.00 178.44 180.04 3i4m h MET 1208N 0.46 0.79 0.00 1.13 2.86 0.93 -1.49 114.93 119.61 3i4m h MET 1208Ca 0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i4m h MET 1208Cb 0.99 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3i4m h MET 1208CO 0.09 0.53 0.15 0.00 1.06 0.00 0.00 176.91 178.73 3i4m h ALA 1209N 1.22 1.13 -0.78 6.32 0.00 0.17 0.30 119.26 127.62 3i4m h ALA 1209Ca 0.22 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.62 3i4m h ALA 1209Cb -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.41 3i4m h ALA 1209CO -0.05 -0.13 0.16 -1.33 0.00 0.00 0.00 179.25 177.90 3i4m n MET 1210N -2.70 2.70 -3.85 0.00 2.00 -0.65 -4.93 117.12 109.69 3i4m n MET 1210Ca -0.02 -3.48 -0.30 0.00 0.00 0.00 0.00 57.70 53.89 3i4m n MET 1210Cb 0.19 -2.17 -0.02 0.00 0.00 0.00 0.00 33.22 31.23 3i4m n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3i4m n ASN 1211N -0.94 -3.21 -4.36 7.83 2.85 0.11 -4.95 115.26 112.59 3i4m n ASN 1211Ca 0.51 -0.73 -0.33 0.00 -0.11 0.00 0.00 54.58 53.92 3i4m n ASN 1211Cb 0.95 -2.66 -0.14 0.00 1.24 0.00 0.00 39.78 39.17 3i4m n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3i4m s ILE 1212N -3.08 3.17 -0.41 -1.44 -1.09 -0.68 -5.01 121.20 112.66 3i4m s ILE 1212Ca 0.59 -0.60 -0.15 0.00 -2.23 0.00 0.00 60.65 58.26 3i4m s ILE 1212Cb -0.32 -2.36 0.02 0.00 -1.58 0.00 0.00 42.46 38.21 3i4m s ILE 1212CO 0.73 0.50 0.30 0.42 -1.23 0.00 0.00 174.94 175.66 3i4m s THR 1213N 0.66 5.21 -1.08 2.92 -4.23 -1.26 -2.95 115.64 114.91 3i4m s THR 1213Ca -0.05 -0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 3i4m s THR 1213Cb -0.15 -3.92 0.28 0.00 1.34 0.00 0.00 72.50 70.05 3i4m s THR 1213CO 0.02 -0.32 1.14 -0.81 -0.54 0.00 0.00 174.62 174.11 3i4m n PRO 1214N 5.15 3.60 -2.09 3.99 -0.04 -1.26 -5.03 135.00 139.32 3i4m n PRO 1214Ca -0.11 -4.48 -0.36 0.00 -0.04 0.00 0.00 63.50 58.50 3i4m n PRO 1214Cb 0.47 -2.53 0.02 0.00 -0.04 0.00 0.00 33.50 31.42 3i4m n PRO 1214CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i4m s ARG 1215N -1.58 3.22 -0.10 0.54 1.81 -1.25 -4.76 118.95 116.84 3i4m s ARG 1215Ca 0.31 1.81 0.04 0.00 -1.72 0.00 0.00 55.73 56.17 3i4m s ARG 1215Cb -0.07 -2.07 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 3i4m s ARG 1215CO -0.05 -1.00 -0.23 -0.51 -0.68 0.00 0.00 175.30 172.82 3i4m s LEU 1216N -3.76 2.05 -0.10 2.53 1.43 0.17 -4.88 118.68 116.13 3i4m s LEU 1216Ca 0.73 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 3i4m s LEU 1216Cb -0.30 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 3i4m s LEU 1216CO 0.33 0.15 -0.24 -0.31 0.23 0.00 0.00 176.35 176.52 3i4m s TYR 1217N 0.36 2.56 -0.29 0.29 1.51 -1.26 -4.29 117.35 116.23 3i4m s TYR 1217Ca -0.18 -1.04 0.28 0.00 -1.01 0.00 0.00 57.07 55.11 3i4m s TYR 1217Cb -0.18 -1.71 1.05 0.00 -0.11 0.00 0.00 41.96 41.01 3i4m s TYR 1217CO 0.09 -0.41 1.81 1.79 -1.11 0.00 0.00 175.55 177.71 3i4m h THR 1218N 5.70 0.00 -2.55 -0.71 1.35 -1.96 -3.45 112.91 111.28 3i4m h THR 1218Ca -0.19 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3i4m h THR 1218Cb 1.24 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3i4m h THR 1218CO 0.47 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.84 3i4m n ASP 1219N -2.65 1.55 -3.49 5.36 5.68 -1.26 -5.18 116.55 116.57 3i4m n ASP 1219Ca 0.02 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.22 3i4m n ASP 1219Cb 0.31 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.27 3i4m n ASP 1219CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i4m s ARG 1220N 1.01 1.90 0.00 0.11 1.70 -1.26 -5.07 118.95 117.33 3i4m s ARG 1220Ca 0.00 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 3i4m s ARG 1220Cb 0.00 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 3i4m s ARG 1220CO 0.00 -0.85 0.00 -1.13 -1.08 0.00 0.00 175.30 172.24 3i4m n SER 1221N -0.91 0.00 -0.35 -2.89 3.41 -1.26 -4.88 113.62 106.74 3i4m n SER 1221Ca -0.04 0.00 0.37 0.00 -0.26 0.00 0.00 58.87 58.94 3i4m n SER 1221Cb 0.60 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.30 3i4m n SER 1221CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i4m h ARG 1222N 0.00 0.00 0.00 4.33 2.43 -2.08 -3.45 114.38 115.62 3i4m h ARG 1222Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i4m h ARG 1222Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i4m h ARG 1222CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 3i4m n ASP 1223N -4.08 0.00 0.00 -3.80 8.00 -1.26 -5.38 116.55 110.04 3i4m n ASP 1223Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3i4m n ASP 1223Cb 1.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 3i4m n ASP 1223CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14