#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i72 s MET 70 N 0.00 0.07 -0.10 1.43 1.75 -1.26 -0.11 119.30 121.08 1i72 s MET 70 Ca 0.00 0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.73 1i72 s MET 70 Cb 0.00 -0.13 0.01 0.00 2.84 0.00 0.00 34.83 37.55 1i72 s MET 70 CO 0.00 -0.12 -0.17 -0.06 -0.65 0.00 0.00 175.02 174.02 1i72 s PHE 71 N 0.83 2.05 -0.18 4.11 0.40 0.79 -4.99 117.98 120.99 1i72 s PHE 71 Ca -0.06 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.37 1i72 s PHE 71 Cb -0.09 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 42.04 1i72 s PHE 71 CO -0.04 -0.43 -0.12 0.08 0.70 0.00 0.00 175.22 175.42 1i72 s VAL 72 N 0.74 1.60 0.08 -0.44 1.01 -1.26 -1.11 120.40 121.02 1i72 s VAL 72 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1i72 s VAL 72 Cb -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1i72 s VAL 72 CO 0.02 0.29 0.02 -1.54 0.00 0.00 0.00 175.10 173.89 1i72 n SER 73 N 4.73 1.95 -0.05 3.32 3.41 -0.67 -5.03 113.62 121.26 1i72 n SER 73 Ca -0.16 -1.31 -0.08 0.00 -0.26 0.00 0.00 58.87 57.07 1i72 n SER 73 Cb 0.48 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1i72 n SER 73 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1i72 h LYS 74 N 0.00 -0.13 0.00 4.33 3.64 -2.06 -3.33 116.57 119.02 1i72 h LYS 74 Ca -0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1i72 h LYS 74 Cb 0.19 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1i72 h LYS 74 CO 0.10 -0.09 0.00 2.89 -2.27 0.00 0.00 179.45 180.08 1i72 n ARG 75 N -5.32 0.59 -4.57 1.90 1.85 -1.26 -5.05 116.66 104.80 1i72 n ARG 75 Ca -0.01 -0.28 -0.34 0.00 -1.00 0.00 0.00 57.85 56.23 1i72 n ARG 75 Cb 0.23 -0.75 -0.12 0.00 -1.05 0.00 0.00 32.46 30.78 1i72 n ARG 75 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1i72 s ARG 76 N -0.16 3.05 -0.09 2.89 3.52 -1.25 -5.07 118.95 121.83 1i72 s ARG 76 Ca 0.00 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 1i72 s ARG 76 Cb 0.00 -2.68 0.01 0.00 -1.56 0.00 0.00 34.95 30.71 1i72 s ARG 76 CO 0.00 0.52 -0.20 0.12 -0.81 0.00 0.00 175.30 174.93 1i72 s PHE 77 N -0.41 2.16 -0.11 5.12 5.36 -1.26 -1.67 117.98 127.17 1i72 s PHE 77 Ca 0.06 -0.88 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 1i72 s PHE 77 Cb -0.12 -1.48 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 1i72 s PHE 77 CO 0.02 -0.38 -0.11 0.42 -1.46 0.00 0.00 175.22 173.71 1i72 s ILE 78 N 0.49 1.22 -0.12 3.12 1.01 -0.26 -4.99 121.20 121.66 1i72 s ILE 78 Ca -0.17 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 1i72 s ILE 78 Cb -0.17 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1i72 s ILE 78 CO 0.06 0.39 -0.10 -0.22 0.00 0.00 0.00 174.94 175.08 1i72 s LEU 79 N 1.31 1.34 -0.18 2.97 2.96 -1.26 -0.15 118.68 125.66 1i72 s LEU 79 Ca -0.02 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1i72 s LEU 79 Cb -0.14 -0.92 0.04 0.00 0.50 0.00 0.00 46.19 45.67 1i72 s LEU 79 CO -0.05 -0.09 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.07 1i72 s LYS 80 N 1.57 1.61 0.16 1.98 2.20 0.84 -5.01 119.74 123.10 1i72 s LYS 80 Ca 0.03 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.09 1i72 s LYS 80 Cb -0.13 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.02 1i72 s LYS 80 CO -0.08 -0.43 -0.12 0.95 -0.36 0.00 0.00 175.35 175.31 1i72 s THR 81 N 1.56 1.38 0.00 3.43 -4.23 -1.26 -0.92 115.64 115.60 1i72 s THR 81 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1i72 s THR 81 Cb -0.16 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1i72 s THR 81 CO -0.08 -0.63 0.00 0.00 -0.54 0.00 0.00 174.62 173.37 1i72 n GLY 83 N 2.05 2.96 1.34 0.00 0.00 -1.26 -2.26 105.19 108.02 1i72 n GLY 83 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1i72 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i72 n THR 84 N 0.00 2.26 -1.71 2.61 -2.24 -1.26 -5.00 114.28 108.94 1i72 n THR 84 Ca 0.00 -1.52 -0.42 0.00 -2.27 0.00 0.00 64.05 59.83 1i72 n THR 84 Cb 0.00 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 1i72 n THR 84 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i72 n THR 85 N 0.26 1.94 -2.99 4.28 -2.24 -0.96 -4.68 114.28 109.89 1i72 n THR 85 Ca 0.24 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1i72 n THR 85 Cb 0.96 -1.63 0.01 0.00 -2.10 0.00 0.00 70.33 67.57 1i72 n THR 85 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i72 n LEU 86 N 0.80 6.31 -0.15 3.22 4.77 -1.26 -4.88 117.00 125.82 1i72 n LEU 86 Ca 0.05 -5.14 -0.03 0.00 -0.03 0.00 0.00 56.01 50.86 1i72 n LEU 86 Cb 0.36 -1.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1i72 n LEU 86 CO 0.63 1.61 0.82 0.25 -1.33 0.00 0.00 177.39 179.37 1i72 h LEU 87 N 5.86 -0.27 -1.53 2.23 6.46 -1.96 -2.46 115.31 123.65 1i72 h LEU 87 Ca 0.21 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 1i72 h LEU 87 Cb 0.65 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1i72 h LEU 87 CO 1.32 -0.09 0.01 -0.07 -0.62 0.00 0.00 178.44 178.98 1i72 h LEU 88 N 0.08 0.00 0.00 2.25 3.38 -1.99 -0.62 115.31 118.42 1i72 h LEU 88 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1i72 h LEU 88 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1i72 h LEU 88 CO -0.42 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.40 1i72 n LYS 89 N -2.31 0.96 0.00 1.13 5.02 -0.93 -2.77 118.16 119.27 1i72 n LYS 89 Ca -0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1i72 n LYS 89 Cb 0.04 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 1i72 n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i72 n ALA 90 N -1.00 4.46 0.24 7.82 0.00 -0.24 -4.62 120.51 127.18 1i72 n ALA 90 Ca 0.23 -0.57 -0.14 0.00 0.00 0.00 0.00 53.44 52.95 1i72 n ALA 90 Cb 0.10 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 1i72 n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i72 h LEU 91 N 0.32 -0.53 -0.26 0.00 5.85 -1.67 -0.90 115.31 118.13 1i72 h LEU 91 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1i72 h LEU 91 Cb 0.51 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1i72 h LEU 91 CO 0.00 -0.19 0.05 0.58 -0.34 0.00 0.00 178.44 178.54 1i72 h VAL 92 N -0.89 0.89 -0.37 1.05 2.07 -1.82 -1.91 116.25 115.26 1i72 h VAL 92 Ca -0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1i72 h VAL 92 Cb 0.58 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1i72 h VAL 92 CO 0.10 0.03 0.20 -0.65 0.02 0.00 0.00 177.57 177.28 1i72 h PRO 93 N 0.15 0.51 -0.02 1.57 0.11 -1.81 -2.75 132.00 129.75 1i72 h PRO 93 Ca 0.12 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1i72 h PRO 93 Cb 0.12 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1i72 h PRO 93 CO -0.15 0.38 0.01 1.25 -0.21 0.00 0.00 178.00 179.27 1i72 h LEU 94 N 0.51 0.03 -1.84 2.35 5.85 -0.47 -2.42 115.31 119.33 1i72 h LEU 94 Ca 0.13 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1i72 h LEU 94 Cb 0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1i72 h LEU 94 CO -0.02 0.22 0.03 -0.07 -0.34 0.00 0.00 178.44 178.26 1i72 h LEU 95 N -0.16 0.11 -0.26 2.25 3.38 -1.12 -1.13 115.31 118.38 1i72 h LEU 95 Ca 0.01 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1i72 h LEU 95 Cb 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1i72 h LEU 95 CO -0.00 0.11 -0.64 0.50 0.09 0.00 0.00 178.44 178.50 1i72 h LYS 96 N 0.13 0.82 -0.54 1.13 3.64 -1.35 -2.46 116.57 117.94 1i72 h LYS 96 Ca 0.03 -0.57 -0.11 0.00 -1.27 0.00 0.00 60.65 58.73 1i72 h LYS 96 Cb 0.04 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1i72 h LYS 96 CO -0.00 1.20 -0.11 -0.07 -2.27 0.00 0.00 179.45 178.19 1i72 h LEU 97 N 0.60 1.03 -0.95 5.20 3.38 -0.88 -0.51 115.31 123.18 1i72 h LEU 97 Ca -0.01 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1i72 h LEU 97 Cb 1.25 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1i72 h LEU 97 CO 0.14 1.14 0.18 0.00 0.09 0.00 0.00 178.44 179.99 1i72 h ALA 98 N 0.92 1.15 0.19 1.53 0.00 -1.22 -1.03 119.26 120.80 1i72 h ALA 98 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1i72 h ALA 98 Cb 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1i72 h ALA 98 CO 0.05 0.58 -0.09 -0.09 0.00 0.00 0.00 179.25 179.70 1i72 h ARG 99 N 0.92 -0.24 -0.34 0.00 2.43 -1.30 -1.39 114.38 114.46 1i72 h ARG 99 Ca 0.20 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1i72 h ARG 99 Cb 0.28 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1i72 h ARG 99 CO -0.01 0.16 0.17 -0.44 -1.51 0.00 0.00 179.97 178.34 1i72 h ASP 100 N -0.87 0.44 0.19 -3.80 3.32 -1.05 -0.78 116.42 113.86 1i72 h ASP 100 Ca -0.03 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.55 1i72 h ASP 100 Cb 0.51 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1i72 h ASP 100 CO 0.04 0.44 -1.94 1.88 -1.72 0.00 0.00 179.24 177.94 1i72 h TYR 101 N 0.41 0.43 0.00 4.55 -1.99 -1.36 -3.41 116.97 115.60 1i72 h TYR 101 Ca 0.12 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1i72 h TYR 101 Cb 0.11 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1i72 h TYR 101 CO -0.02 1.66 -1.73 0.43 -0.00 0.00 0.00 178.16 178.50 1i72 n SER 102 N -3.42 0.48 0.00 3.88 7.64 -0.91 -5.00 113.62 116.28 1i72 n SER 102 Ca -0.29 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1i72 n SER 102 Cb 1.05 1.75 0.00 0.00 -1.01 0.00 0.00 64.21 66.00 1i72 n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i72 n GLY 103 N 1.37 0.76 3.62 0.23 0.00 -0.30 -4.97 105.19 105.91 1i72 n GLY 103 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1i72 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i72 s PHE 104 N -2.79 2.63 -1.32 1.61 2.99 -0.74 -4.86 117.98 115.50 1i72 s PHE 104 Ca 0.00 0.81 0.13 0.00 0.00 0.00 0.00 56.93 57.86 1i72 s PHE 104 Cb 0.00 -4.07 0.24 0.00 0.00 0.00 0.00 43.02 39.19 1i72 s PHE 104 CO 0.00 -1.72 1.11 -0.40 -0.00 0.00 0.00 175.22 174.21 1i72 n ASP 105 N 7.97 2.60 -4.16 1.36 5.75 -1.26 -3.03 116.55 125.80 1i72 n ASP 105 Ca 0.15 -1.78 -0.10 0.00 -0.01 0.00 0.00 54.79 53.05 1i72 n ASP 105 Cb 0.47 -0.14 -0.10 0.00 -1.03 0.00 0.00 41.12 40.32 1i72 n ASP 105 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1i72 s SER 106 N -1.03 0.46 -0.14 -1.12 0.01 -1.26 -5.11 113.70 105.50 1i72 s SER 106 Ca 0.21 -1.18 0.01 0.00 1.31 0.00 0.00 55.95 56.30 1i72 s SER 106 Cb 0.12 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.61 1i72 s SER 106 CO 0.17 -0.69 -0.17 -0.63 0.41 0.00 0.00 173.24 172.33 1i72 s ILE 107 N -3.98 2.55 -0.14 1.44 1.01 -1.26 -5.01 121.20 115.81 1i72 s ILE 107 Ca 0.22 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 1i72 s ILE 107 Cb 0.07 -2.06 -0.25 0.00 0.01 0.00 0.00 42.46 40.24 1i72 s ILE 107 CO 0.01 0.53 0.55 -0.61 0.00 0.00 0.00 174.94 175.41 1i72 h GLN 108 N 7.19 0.09 -3.39 2.79 4.15 -2.01 -3.48 115.11 120.45 1i72 h GLN 108 Ca -0.31 -0.16 -0.17 0.00 0.77 0.00 0.00 58.65 58.79 1i72 h GLN 108 Cb 1.20 0.06 -0.24 0.00 0.21 0.00 0.00 27.48 28.71 1i72 h GLN 108 CO 0.56 1.08 -0.50 -1.12 -1.93 0.00 0.00 178.83 176.91 1i72 s SER 109 N -6.70 -0.10 -0.03 -0.69 0.01 -1.26 -5.00 113.70 99.93 1i72 s SER 109 Ca -0.22 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1i72 s SER 109 Cb 0.02 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.57 1i72 s SER 109 CO 0.69 -0.19 0.00 0.12 0.41 0.00 0.00 173.24 174.28 1i72 s PHE 110 N -0.52 0.26 -0.08 2.43 5.36 -1.26 -5.06 117.98 119.11 1i72 s PHE 110 Ca -0.06 0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1i72 s PHE 110 Cb -0.04 -0.37 0.04 0.00 -0.34 0.00 0.00 43.02 42.32 1i72 s PHE 110 CO 0.01 -0.12 0.10 -0.06 -1.46 0.00 0.00 175.22 173.70 1i72 s PHE 111 N 0.97 -0.01 -0.15 10.12 0.40 -1.26 -3.54 117.98 124.50 1i72 s PHE 111 Ca -0.09 0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1i72 s PHE 111 Cb -0.13 -0.43 0.01 0.00 0.51 0.00 0.00 43.02 42.98 1i72 s PHE 111 CO -0.02 -0.28 -0.20 -0.47 0.70 0.00 0.00 175.22 174.95 1i72 s TYR 112 N 2.21 2.70 0.14 0.36 5.04 -0.39 -5.01 117.35 122.41 1i72 s TYR 112 Ca 0.04 -1.30 -0.14 0.00 -2.44 0.00 0.00 57.07 53.24 1i72 s TYR 112 Cb -0.13 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.36 1i72 s TYR 112 CO -0.05 -0.59 0.36 -1.54 -1.34 0.00 0.00 175.55 172.38 1i72 s SER 113 N 0.85 -0.12 -0.13 4.32 1.04 -1.26 -0.82 113.70 117.58 1i72 s SER 113 Ca -0.06 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.56 1i72 s SER 113 Cb -0.15 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.55 1i72 s SER 113 CO -0.02 -0.87 1.01 0.00 0.98 0.00 0.00 173.24 174.34 1i72 s ARG 114 N -3.85 0.60 0.63 4.02 1.70 -0.89 -5.01 118.95 116.14 1i72 s ARG 114 Ca 0.07 -0.01 -0.10 0.00 -0.47 0.00 0.00 55.73 55.22 1i72 s ARG 114 Cb 0.02 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1i72 s ARG 114 CO -0.08 -0.22 1.01 0.21 -1.08 0.00 0.00 175.30 175.13 1i72 s LYS 115 N -1.81 3.22 0.48 3.89 2.20 -1.26 -0.72 119.74 125.73 1i72 s LYS 115 Ca 0.02 0.46 -0.24 0.00 -0.36 0.00 0.00 55.97 55.85 1i72 s LYS 115 Cb -0.01 -2.12 -0.07 0.00 -1.51 0.00 0.00 37.83 34.12 1i72 s LYS 115 CO -0.02 -0.72 1.37 0.54 -0.36 0.00 0.00 175.35 176.16 1i72 s ASN 116 N -4.26 5.71 0.58 1.43 2.20 -0.63 -4.85 114.94 115.12 1i72 s ASN 116 Ca 0.55 2.79 -0.13 0.00 -0.94 0.00 0.00 52.86 55.13 1i72 s ASN 116 Cb -0.11 -2.64 -0.05 0.00 -2.00 0.00 0.00 41.25 36.45 1i72 s ASN 116 CO 0.51 -1.27 1.01 -0.36 -2.94 0.00 0.00 177.10 174.05 1i72 s PHE 117 N -1.27 3.52 0.06 1.54 2.99 -1.26 -4.94 117.98 118.63 1i72 s PHE 117 Ca 0.65 1.37 -0.13 0.00 0.00 0.00 0.00 56.93 58.82 1i72 s PHE 117 Cb -0.41 -2.76 -0.28 0.00 0.00 0.00 0.00 43.02 39.57 1i72 s PHE 117 CO 0.51 -0.59 1.11 0.52 -0.00 0.00 0.00 175.22 176.77 1i72 h MET 118 N 0.19 0.57 -2.47 0.44 2.86 -2.02 -3.39 114.93 111.11 1i72 h MET 118 Ca -0.45 -0.78 -0.59 0.00 -2.06 0.00 0.00 59.70 55.81 1i72 h MET 118 Cb 1.19 0.26 -0.40 0.00 0.06 0.00 0.00 31.60 32.71 1i72 h MET 118 CO 0.61 1.35 -0.84 1.63 1.06 0.00 0.00 176.91 180.73 1i72 n LYS 119 N -3.75 1.06 -0.26 1.72 5.02 -1.26 -4.99 118.16 115.70 1i72 n LYS 119 Ca -0.13 -3.75 0.20 0.00 -2.02 0.00 0.00 58.31 52.61 1i72 n LYS 119 Cb 0.99 -1.83 0.52 0.00 -0.02 0.00 0.00 35.03 34.69 1i72 n LYS 119 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1i72 h PRO 120 N 5.05 0.38 0.00 1.97 0.11 -1.92 -2.33 132.00 135.26 1i72 h PRO 120 Ca 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1i72 h PRO 120 Cb 0.83 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1i72 h PRO 120 CO 0.55 0.25 -0.04 0.66 -0.21 0.00 0.00 178.00 179.21 1i72 h SER 121 N 0.39 0.00 1.04 -2.05 4.64 -1.94 -2.85 113.55 112.77 1i72 h SER 121 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1i72 h SER 121 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1i72 h SER 121 CO -0.19 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.22 1i72 n HIS 122 N -3.16 0.67 -2.56 4.77 8.25 -0.88 -4.84 115.22 117.48 1i72 n HIS 122 Ca 0.00 0.22 -0.32 0.00 -0.26 0.00 0.00 57.72 57.36 1i72 n HIS 122 Cb 0.30 -0.86 -0.05 0.00 1.12 0.00 0.00 29.99 30.50 1i72 n HIS 122 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1i72 s GLN 123 N -3.16 4.05 0.37 -0.41 -1.52 -1.08 -4.96 119.66 112.95 1i72 s GLN 123 Ca 0.08 1.03 0.07 0.00 -1.95 0.00 0.00 55.36 54.60 1i72 s GLN 123 Cb 0.12 -2.15 -0.02 0.00 -0.22 0.00 0.00 33.01 30.74 1i72 s GLN 123 CO 0.48 -0.19 0.40 0.20 -0.25 0.00 0.00 175.29 175.93 1i72 s GLY 124 N -2.70 1.86 0.38 3.09 0.00 -1.26 -4.64 107.32 104.05 1i72 s GLY 124 Ca 0.60 -1.68 -0.27 0.00 0.00 0.00 0.00 44.72 43.37 1i72 s GLY 124 CO 0.24 -1.55 1.39 2.98 0.00 0.00 0.00 173.10 176.16 1i72 n TYR 125 N -1.56 2.64 -0.94 1.90 9.36 -1.26 -0.76 117.16 126.54 1i72 n TYR 125 Ca 0.02 0.49 -0.18 0.00 3.32 0.00 0.00 57.90 61.54 1i72 n TYR 125 Cb 0.60 -2.47 0.18 0.00 -0.63 0.00 0.00 39.34 37.02 1i72 n TYR 125 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1i72 n PRO 126 N 0.35 2.34 -1.00 2.98 -0.04 -1.26 -4.96 135.00 133.42 1i72 n PRO 126 Ca 0.03 -2.68 -0.12 0.00 -0.04 0.00 0.00 63.50 60.69 1i72 n PRO 126 Cb 0.38 -2.06 0.20 0.00 -0.04 0.00 0.00 33.50 31.99 1i72 n PRO 126 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1i72 n HIS 127 N -0.81 2.06 0.34 0.54 8.25 0.06 -3.00 115.22 122.66 1i72 n HIS 127 Ca 0.50 -1.64 0.13 0.00 -0.26 0.00 0.00 57.72 56.45 1i72 n HIS 127 Cb 1.50 -0.70 0.28 0.00 1.12 0.00 0.00 29.99 32.19 1i72 n HIS 127 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i72 h ARG 128 N 1.20 0.00 -1.75 -0.41 3.08 -1.82 -3.43 114.38 111.24 1i72 h ARG 128 Ca 0.40 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.65 1i72 h ARG 128 Cb 2.24 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 32.11 1i72 h ARG 128 CO 0.72 0.00 0.70 0.54 -1.07 0.00 0.00 179.97 180.87 1i72 s ASN 129 N -5.65 -0.21 0.28 7.04 2.20 -1.26 -4.72 114.94 112.62 1i72 s ASN 129 Ca 0.07 -0.01 -0.03 0.00 -0.94 0.00 0.00 52.86 51.96 1i72 s ASN 129 Cb 0.07 0.23 0.40 0.00 -2.00 0.00 0.00 41.25 39.95 1i72 s ASN 129 CO 0.63 -0.37 1.92 0.15 -2.94 0.00 0.00 177.10 176.49 1i72 h PHE 130 N 2.00 1.03 -0.57 1.54 3.57 -1.92 -2.16 116.94 120.43 1i72 h PHE 130 Ca -0.14 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.37 1i72 h PHE 130 Cb 1.19 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1i72 h PHE 130 CO 0.28 0.70 0.38 1.96 -2.23 0.00 0.00 178.31 179.40 1i72 h GLN 131 N 1.07 0.72 -0.34 1.11 1.08 -1.97 0.15 115.11 116.93 1i72 h GLN 131 Ca 0.27 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.29 1i72 h GLN 131 Cb -0.01 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1i72 h GLN 131 CO -0.05 0.48 -0.36 1.49 -0.95 0.00 0.00 178.83 179.44 1i72 h GLU 132 N 0.74 0.78 -0.36 1.46 4.81 -1.68 -1.56 114.58 118.78 1i72 h GLU 132 Ca 0.22 -0.39 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 1i72 h GLU 132 Cb -0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1i72 h GLU 132 CO -0.05 1.02 -0.32 0.93 -0.73 0.00 0.00 179.01 179.86 1i72 h GLU 133 N 0.65 0.79 -0.43 1.92 5.08 -0.88 -2.02 114.58 119.69 1i72 h GLU 133 Ca 0.06 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1i72 h GLU 133 Cb 0.92 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1i72 h GLU 133 CO 0.08 1.00 0.19 0.82 -1.00 0.00 0.00 179.01 180.10 1i72 h ILE 134 N 0.67 1.19 -0.66 3.13 2.04 -0.56 -1.77 117.51 121.55 1i72 h ILE 134 Ca 0.07 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 1i72 h ILE 134 Cb 0.86 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1i72 h ILE 134 CO 0.08 0.21 0.14 -0.33 0.00 0.00 0.00 178.15 178.25 1i72 h GLU 135 N 0.55 1.05 -0.14 2.37 5.08 -1.17 0.84 114.58 123.15 1i72 h GLU 135 Ca 0.14 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1i72 h GLU 135 Cb 0.16 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1i72 h GLU 135 CO -0.01 0.94 0.05 0.35 -1.00 0.00 0.00 179.01 179.34 1i72 h PHE 136 N 0.99 0.23 -0.39 4.33 3.57 -1.19 -2.60 116.94 121.87 1i72 h PHE 136 Ca 0.21 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1i72 h PHE 136 Cb 0.37 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1i72 h PHE 136 CO 0.03 0.32 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.17 1i72 h LEU 137 N 0.06 0.76 -2.06 0.59 3.38 -1.19 -2.78 115.31 114.07 1i72 h LEU 137 Ca 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1i72 h LEU 137 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1i72 h LEU 137 CO -0.00 0.94 -0.07 0.78 0.09 0.00 0.00 178.44 180.17 1i72 h ASN 138 N 0.67 0.00 1.32 -0.43 2.35 -0.72 0.19 115.58 118.96 1i72 h ASN 138 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1i72 h ASN 138 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1i72 h ASN 138 CO 0.05 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.90 1i72 h ALA 139 N 1.93 1.00 0.01 -0.83 0.00 -1.17 -3.30 119.26 116.91 1i72 h ALA 139 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1i72 h ALA 139 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1i72 h ALA 139 CO 0.01 0.00 -2.39 -0.89 0.00 0.00 0.00 179.25 175.98 1i72 n ILE 140 N -2.61 1.53 -4.48 0.00 5.41 -0.14 -5.00 119.36 114.07 1i72 n ILE 140 Ca 0.03 -0.47 -0.30 0.00 1.00 0.00 0.00 62.75 63.01 1i72 n ILE 140 Cb 0.38 -1.68 -0.12 0.00 -0.71 0.00 0.00 39.64 37.52 1i72 n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1i72 s PHE 141 N -2.51 2.63 -0.64 1.39 0.40 0.49 -5.03 117.98 114.72 1i72 s PHE 141 Ca -0.35 -0.21 0.22 0.00 -0.60 0.00 0.00 56.93 55.99 1i72 s PHE 141 Cb 0.11 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 1i72 s PHE 141 CO 0.57 0.33 0.95 -0.35 0.70 0.00 0.00 175.22 177.41 1i72 n PRO 142 N 1.25 0.26 -1.54 0.24 -0.04 -1.26 -4.39 135.00 129.52 1i72 n PRO 142 Ca -0.15 -0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 1i72 n PRO 142 Cb 0.52 -1.56 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 1i72 n PRO 142 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1i72 n ASN 143 N -1.88 4.49 -4.80 3.54 6.94 -1.26 -5.06 115.26 117.23 1i72 n ASN 143 Ca 0.02 -3.79 -0.33 0.00 -0.02 0.00 0.00 54.58 50.46 1i72 n ASN 143 Cb 0.43 -0.50 -0.01 0.00 -2.36 0.00 0.00 39.78 37.33 1i72 n ASN 143 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1i72 s GLY 144 N -3.13 2.29 -0.10 4.83 0.00 -1.26 -0.85 107.32 109.10 1i72 s GLY 144 Ca 0.50 0.47 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1i72 s GLY 144 CO 0.01 0.78 0.07 0.00 0.00 0.00 0.00 173.10 173.96 1i72 s ALA 145 N -2.26 0.33 -0.09 3.20 0.00 0.75 -4.81 121.76 118.87 1i72 s ALA 145 Ca 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 1i72 s ALA 145 Cb -0.16 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1i72 s ALA 145 CO 0.29 -0.78 -0.01 0.20 0.00 0.00 0.00 175.76 175.45 1i72 s GLY 146 N 2.15 1.81 0.10 0.00 0.00 -1.26 -0.85 107.32 109.27 1i72 s GLY 146 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1i72 s GLY 146 CO -0.06 -0.52 -0.07 -0.19 0.00 0.00 0.00 173.10 172.27 1i72 s TYR 147 N -0.70 0.94 -0.13 1.90 1.51 0.20 -4.99 117.35 116.08 1i72 s TYR 147 Ca 0.11 -0.90 -0.02 0.00 -1.01 0.00 0.00 57.07 55.25 1i72 s TYR 147 Cb -0.12 -0.53 0.04 0.00 -0.11 0.00 0.00 41.96 41.24 1i72 s TYR 147 CO 0.02 -0.12 0.01 0.00 -1.11 0.00 0.00 175.55 174.35 1i72 s MET 149 N 1.89 3.71 0.27 0.00 -1.94 0.11 -4.94 119.30 118.40 1i72 s MET 149 Ca 0.02 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1i72 s MET 149 Cb -0.14 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.51 1i72 s MET 149 CO -0.07 0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.85 1i72 n GLY 150 N 2.86 -1.78 3.63 -0.03 0.00 -1.26 -0.46 105.19 108.15 1i72 n GLY 150 Ca -0.18 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 1i72 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i72 s ARG 151 N 0.00 4.02 0.25 1.61 0.52 -1.21 -4.92 118.95 119.22 1i72 s ARG 151 Ca 0.00 0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 55.87 1i72 s ARG 151 Cb 0.00 -3.75 -0.10 0.00 0.52 0.00 0.00 34.95 31.63 1i72 s ARG 151 CO 0.00 -0.90 1.32 -1.64 0.02 0.00 0.00 175.30 174.10 1i72 s MET 152 N 3.60 4.37 0.00 3.54 -1.94 -1.26 -2.14 119.30 125.46 1i72 s MET 152 Ca 0.43 2.14 0.00 0.00 -1.71 0.00 0.00 55.69 56.55 1i72 s MET 152 Cb -0.12 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.58 1i72 s MET 152 CO 0.16 -0.24 0.00 0.09 -0.01 0.00 0.00 175.02 175.02 1i72 n ASN 153 N 1.95 -2.60 0.00 3.03 4.13 -1.26 -4.98 115.26 115.53 1i72 n ASN 153 Ca 0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1i72 n ASN 153 Cb 0.42 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1i72 n ASN 153 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1i72 n SER 154 N 1.25 0.00 -4.64 6.41 2.88 -0.91 -5.10 113.62 113.51 1i72 n SER 154 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1i72 n SER 154 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1i72 n SER 154 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1i72 s ASP 155 N 1.78 6.72 0.27 -3.46 1.11 -1.25 -4.88 116.67 116.97 1i72 s ASP 155 Ca 0.00 1.35 0.01 0.00 0.18 0.00 0.00 52.55 54.09 1i72 s ASP 155 Cb 0.00 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 1i72 s ASP 155 CO 0.00 -1.01 0.27 0.00 1.18 0.00 0.00 175.17 175.61 1i72 s TRP 157 N -3.73 0.03 -0.04 0.00 -0.00 0.39 -1.61 118.94 113.99 1i72 s TRP 157 Ca 0.37 0.16 -0.03 0.00 -0.00 0.00 0.00 56.10 56.60 1i72 s TRP 157 Cb 0.04 -0.27 -0.04 0.00 -0.00 0.00 0.00 33.47 33.20 1i72 s TRP 157 CO 0.18 -0.11 0.14 0.71 -0.00 0.00 0.00 176.95 177.87 1i72 s TYR 158 N 1.23 3.47 -0.02 5.86 1.51 0.10 0.07 117.35 129.58 1i72 s TYR 158 Ca -0.07 0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 56.33 1i72 s TYR 158 Cb -0.13 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1i72 s TYR 158 CO -0.03 0.63 0.04 -1.17 -1.11 0.00 0.00 175.55 173.91 1i72 s LEU 159 N -1.63 1.28 -0.13 -1.29 2.96 -0.25 -2.10 118.68 117.52 1i72 s LEU 159 Ca 0.23 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1i72 s LEU 159 Cb -0.12 0.03 0.02 0.00 0.50 0.00 0.00 46.19 46.62 1i72 s LEU 159 CO 0.13 -0.09 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.42 1i72 s TYR 160 N 0.76 2.31 0.26 5.38 5.04 0.00 0.63 117.35 131.72 1i72 s TYR 160 Ca -0.06 -1.20 0.01 0.00 -2.44 0.00 0.00 57.07 53.38 1i72 s TYR 160 Cb -0.09 -1.63 -0.05 0.00 0.35 0.00 0.00 41.96 40.55 1i72 s TYR 160 CO -0.02 -0.60 0.12 -0.08 -1.34 0.00 0.00 175.55 173.63 1i72 s THR 161 N 1.09 0.39 -0.13 4.34 -1.32 -0.03 -1.26 115.64 118.72 1i72 s THR 161 Ca -0.03 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.41 1i72 s THR 161 Cb -0.14 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.23 1i72 s THR 161 CO -0.05 0.00 0.04 -0.76 -2.21 0.00 0.00 174.62 171.64 1i72 s LEU 162 N -3.30 3.76 -0.56 9.08 1.43 -1.23 -0.18 118.68 127.68 1i72 s LEU 162 Ca 0.38 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.45 1i72 s LEU 162 Cb 0.07 -1.91 0.11 0.00 0.03 0.00 0.00 46.19 44.49 1i72 s LEU 162 CO 0.14 0.29 0.60 -0.62 0.23 0.00 0.00 176.35 177.00 1i72 s ASP 163 N -0.36 6.19 -0.62 2.29 3.68 -0.03 -4.83 116.67 123.00 1i72 s ASP 163 Ca 0.08 -1.56 -0.11 0.00 2.13 0.00 0.00 52.55 53.10 1i72 s ASP 163 Cb -0.12 -2.26 0.16 0.00 -1.45 0.00 0.00 42.92 39.25 1i72 s ASP 163 CO 0.02 -0.98 0.51 -0.36 0.13 0.00 0.00 175.17 174.50 1i72 s PHE 164 N 2.17 3.49 0.00 -5.34 0.08 -1.26 -4.91 117.98 112.21 1i72 s PHE 164 Ca 0.08 -1.95 0.00 0.00 0.12 0.00 0.00 56.93 55.17 1i72 s PHE 164 Cb -0.26 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 1i72 s PHE 164 CO 0.05 -0.97 0.23 -2.30 -0.10 0.00 0.00 175.22 172.13 1i72 n PRO 165 N 4.45 0.00 -3.03 0.24 -0.02 -1.26 -4.98 135.00 130.39 1i72 n PRO 165 Ca 0.00 0.04 -0.44 0.00 -2.02 0.00 0.00 63.50 61.08 1i72 n PRO 165 Cb 0.42 -0.73 -0.05 0.00 -0.02 0.00 0.00 33.50 33.12 1i72 n PRO 165 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1i72 s GLU 166 N -0.46 3.10 0.00 -0.52 8.01 -1.26 -5.14 118.70 122.43 1i72 s GLU 166 Ca 0.00 -1.01 0.00 0.00 0.01 0.00 0.00 54.97 53.97 1i72 s GLU 166 Cb 0.00 -4.20 0.00 0.00 -4.31 0.00 0.00 34.13 25.62 1i72 s GLU 166 CO 0.00 -1.54 0.00 -1.13 0.01 0.00 0.00 175.26 172.60 1i72 n SER 171 N 6.76 0.00 -4.97 -0.19 3.41 -1.26 -5.29 113.62 112.08 1i72 n SER 171 Ca -0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.34 1i72 n SER 171 Cb 0.44 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.42 1i72 n SER 171 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i72 s GLN 172 N -2.49 2.61 0.18 4.33 0.00 -1.26 -4.94 119.66 118.08 1i72 s GLN 172 Ca 0.00 -0.80 -0.33 0.00 -0.00 0.00 0.00 55.36 54.23 1i72 s GLN 172 Cb 0.00 -2.52 -0.13 0.00 0.00 0.00 0.00 33.01 30.36 1i72 s GLN 172 CO 0.00 -0.64 1.63 -2.30 0.00 0.00 0.00 175.29 173.98 1i72 n PRO 173 N -2.28 2.38 -3.86 9.60 -0.02 -1.26 -4.84 135.00 134.72 1i72 n PRO 173 Ca 0.07 0.86 -0.12 0.00 -2.02 0.00 0.00 63.50 62.30 1i72 n PRO 173 Cb 0.59 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 1i72 n PRO 173 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i72 s ASP 174 N 1.02 -0.04 -0.04 2.55 2.15 -1.26 -4.90 116.67 116.15 1i72 s ASP 174 Ca 0.77 -0.00 -0.30 0.00 0.43 0.00 0.00 52.55 53.45 1i72 s ASP 174 Cb -0.62 0.24 0.08 0.00 -0.30 0.00 0.00 42.92 42.32 1i72 s ASP 174 CO 0.36 -0.23 0.72 0.00 -0.17 0.00 0.00 175.17 175.85 1i72 s GLN 175 N -0.75 1.02 -0.07 4.34 0.00 -1.26 -1.90 119.66 121.04 1i72 s GLN 175 Ca -0.08 0.16 -0.03 0.00 -0.00 0.00 0.00 55.36 55.41 1i72 s GLN 175 Cb -0.05 0.48 0.04 0.00 0.00 0.00 0.00 33.01 33.48 1i72 s GLN 175 CO 0.01 -0.34 0.15 0.99 0.00 0.00 0.00 175.29 176.10 1i72 s THR 176 N -1.47 -0.15 -0.08 3.63 2.01 -0.60 -4.28 115.64 114.70 1i72 s THR 176 Ca -0.08 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1i72 s THR 176 Cb -0.00 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1i72 s THR 176 CO 0.06 0.11 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.71 1i72 s LEU 177 N 1.70 2.51 0.01 4.42 2.96 0.20 -1.23 118.68 129.25 1i72 s LEU 177 Ca -0.03 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 1i72 s LEU 177 Cb -0.12 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1i72 s LEU 177 CO -0.06 0.24 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.45 1i72 s GLU 178 N -0.12 1.18 -0.25 1.98 2.02 -0.40 -1.05 118.70 122.05 1i72 s GLU 178 Ca -0.03 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1i72 s GLU 178 Cb -0.14 -1.18 0.08 0.00 0.10 0.00 0.00 34.13 32.99 1i72 s GLU 178 CO 0.04 0.31 0.03 0.42 0.02 0.00 0.00 175.26 176.08 1i72 s ILE 179 N -0.57 1.07 -0.41 -1.63 1.01 0.11 -1.67 121.20 119.11 1i72 s ILE 179 Ca 0.05 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 1i72 s ILE 179 Cb -0.07 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1i72 s ILE 179 CO 0.00 -0.35 0.27 -0.76 0.00 0.00 0.00 174.94 174.10 1i72 s LEU 180 N 1.57 5.08 0.01 2.97 1.43 -0.38 -1.18 118.68 128.18 1i72 s LEU 180 Ca 0.02 -1.22 -0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1i72 s LEU 180 Cb -0.18 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1i72 s LEU 180 CO -0.13 -0.49 0.10 -0.04 0.23 0.00 0.00 176.35 176.02 1i72 s MET 181 N 1.54 3.12 0.23 1.70 -1.94 0.12 -1.71 119.30 122.36 1i72 s MET 181 Ca 0.03 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.53 1i72 s MET 181 Cb -0.21 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.70 1i72 s MET 181 CO 0.06 0.64 0.15 -1.12 -0.01 0.00 0.00 175.02 174.74 1i72 s SER 182 N -1.87 0.55 -1.20 3.03 0.01 -0.27 -1.10 113.70 112.86 1i72 s SER 182 Ca 0.25 -1.45 -0.21 0.00 1.31 0.00 0.00 55.95 55.84 1i72 s SER 182 Cb -0.12 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1i72 s SER 182 CO 0.16 -0.86 0.71 -0.62 0.41 0.00 0.00 173.24 173.04 1i72 n GLU 183 N -0.36 -1.25 -2.46 12.44 1.02 -1.23 -1.95 120.64 126.86 1i72 n GLU 183 Ca 0.03 0.35 -0.32 0.00 -0.02 0.00 0.00 57.16 57.20 1i72 n GLU 183 Cb 0.65 -3.79 -0.03 0.00 -0.02 0.00 0.00 31.44 28.25 1i72 n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i72 s LEU 184 N -6.78 3.65 0.16 -4.62 1.02 -1.26 -0.11 118.68 110.73 1i72 s LEU 184 Ca 0.41 1.49 -0.32 0.00 0.02 0.00 0.00 54.13 55.73 1i72 s LEU 184 Cb -0.17 -4.42 -0.12 0.00 0.02 0.00 0.00 46.19 41.49 1i72 s LEU 184 CO 0.89 -0.56 1.72 -0.67 0.02 0.00 0.00 176.35 177.75 1i72 n ASP 185 N -1.57 3.73 -0.32 2.29 -0.08 -0.66 -4.91 116.55 115.03 1i72 n ASP 185 Ca 0.06 1.05 -0.01 0.00 -1.51 0.00 0.00 54.79 54.38 1i72 n ASP 185 Cb 0.54 -1.52 0.12 0.00 2.34 0.00 0.00 41.12 42.60 1i72 n ASP 185 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1i72 h PRO 186 N 7.07 1.06 -0.55 -0.67 0.11 -1.94 -1.31 132.00 135.77 1i72 h PRO 186 Ca -0.45 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1i72 h PRO 186 Cb 1.22 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1i72 h PRO 186 CO 0.94 0.70 0.02 0.00 -0.21 0.00 0.00 178.00 179.45 1i72 h ALA 187 N 1.37 1.00 -0.30 -0.75 0.00 -2.00 -1.80 119.26 116.79 1i72 h ALA 187 Ca 0.36 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1i72 h ALA 187 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1i72 h ALA 187 CO -0.13 0.62 -0.06 0.28 0.00 0.00 0.00 179.25 179.96 1i72 h VAL 188 N 0.85 1.28 0.00 0.00 2.07 -1.83 -3.08 116.25 115.55 1i72 h VAL 188 Ca 0.16 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1i72 h VAL 188 Cb 0.48 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1i72 h VAL 188 CO 0.02 0.34 -0.11 0.24 0.02 0.00 0.00 177.57 178.08 1i72 h MET 189 N 0.33 0.00 0.00 1.57 2.86 -1.07 -2.64 114.93 115.99 1i72 h MET 189 Ca 0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1i72 h MET 189 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1i72 h MET 189 CO 0.03 0.11 -0.07 0.22 1.06 0.00 0.00 176.91 178.26 1i72 h ASP 190 N 0.00 0.00 0.76 1.22 3.58 -1.23 -1.89 116.42 118.86 1i72 h ASP 190 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1i72 h ASP 190 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1i72 h ASP 190 CO 0.01 0.07 0.00 1.56 -2.88 0.00 0.00 179.24 178.01 1i72 h GLN 191 N 0.00 0.00 -0.96 0.28 4.20 -1.59 -3.15 115.11 113.88 1i72 h GLN 191 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1i72 h GLN 191 Cb 0.28 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.77 1i72 h GLN 191 CO 0.01 0.00 0.67 1.19 -0.67 0.00 0.00 178.83 180.02 1i72 n PHE 192 N -2.98 3.02 -5.14 2.96 3.01 -0.71 -4.86 117.46 112.76 1i72 n PHE 192 Ca -0.00 -2.18 -0.30 0.00 1.01 0.00 0.00 57.45 55.98 1i72 n PHE 192 Cb 0.24 -1.06 -0.16 0.00 -0.01 0.00 0.00 39.48 38.48 1i72 n PHE 192 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1i72 s TYR 193 N -3.45 2.27 0.27 1.38 1.51 -1.19 -1.42 117.35 116.72 1i72 s TYR 193 Ca 0.59 -0.73 -0.31 0.00 -1.01 0.00 0.00 57.07 55.61 1i72 s TYR 193 Cb 0.48 -1.51 -0.12 0.00 -0.11 0.00 0.00 41.96 40.71 1i72 s TYR 193 CO 0.07 -0.25 1.60 -1.33 -1.11 0.00 0.00 175.55 174.54 1i72 n MET 194 N 3.12 2.66 -4.10 -0.62 2.81 -0.33 -5.00 117.12 115.66 1i72 n MET 194 Ca -0.18 0.95 -0.15 0.00 -1.81 0.00 0.00 57.70 56.51 1i72 n MET 194 Cb 0.52 -2.73 -0.14 0.00 -0.71 0.00 0.00 33.22 30.16 1i72 n MET 194 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1i72 s LYS 195 N -0.20 0.37 0.25 0.03 1.02 -1.26 -5.02 119.74 114.93 1i72 s LYS 195 Ca 0.66 -0.24 -0.31 0.00 0.02 0.00 0.00 55.97 56.10 1i72 s LYS 195 Cb -0.51 -0.32 -0.13 0.00 -0.52 0.00 0.00 37.83 36.35 1i72 s LYS 195 CO 0.46 0.08 1.49 -0.25 -0.92 0.00 0.00 175.35 176.21 1i72 n ASP 196 N 2.75 3.13 0.00 2.83 10.43 -1.26 -1.73 116.55 132.71 1i72 n ASP 196 Ca -0.14 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.35 1i72 n ASP 196 Cb 0.58 -1.48 0.00 0.00 1.84 0.00 0.00 41.12 42.06 1i72 n ASP 196 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i72 n GLY 197 N 2.34 1.53 3.32 0.44 0.00 -1.26 -5.00 105.19 106.57 1i72 n GLY 197 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1i72 n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i72 s VAL 198 N -3.55 3.73 0.54 1.61 1.01 -0.70 -5.09 120.40 117.96 1i72 s VAL 198 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1i72 s VAL 198 Cb 0.00 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1i72 s VAL 198 CO 0.00 0.15 0.79 0.42 0.00 0.00 0.00 175.10 176.46 1i72 s THR 199 N 1.47 3.15 0.28 3.92 -4.23 -1.26 -4.54 115.64 114.43 1i72 s THR 199 Ca 0.03 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1i72 s THR 199 Cb -0.17 -3.20 0.23 0.00 1.34 0.00 0.00 72.50 70.70 1i72 s THR 199 CO 0.01 -0.16 1.92 0.00 -0.54 0.00 0.00 174.62 175.85 1i72 h ALA 200 N 0.06 1.31 -0.63 3.99 0.00 -1.96 -1.67 119.26 120.37 1i72 h ALA 200 Ca -0.44 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1i72 h ALA 200 Cb 1.28 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1i72 h ALA 200 CO 0.56 0.58 0.19 -0.22 0.00 0.00 0.00 179.25 180.36 1i72 h LYS 201 N 1.12 0.97 -0.30 0.00 3.64 -1.94 -0.57 116.57 119.49 1i72 h LYS 201 Ca 0.29 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1i72 h LYS 201 Cb -0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1i72 h LYS 201 CO -0.05 0.86 0.14 -0.44 -2.27 0.00 0.00 179.45 177.69 1i72 h ASP 202 N 0.90 0.21 -0.42 4.20 3.32 -1.76 -2.47 116.42 120.40 1i72 h ASP 202 Ca 0.20 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1i72 h ASP 202 Cb 0.30 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1i72 h ASP 202 CO -0.01 0.16 0.22 0.58 -1.72 0.00 0.00 179.24 178.48 1i72 h VAL 203 N 0.31 1.16 -0.55 -1.35 2.07 -1.06 -0.54 116.25 116.28 1i72 h VAL 203 Ca 0.13 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1i72 h VAL 203 Cb 0.05 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1i72 h VAL 203 CO -0.09 0.17 0.22 0.74 0.02 0.00 0.00 177.57 178.64 1i72 h THR 204 N 0.55 0.84 0.22 2.57 2.02 -0.91 -1.35 112.91 116.85 1i72 h THR 204 Ca 0.15 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1i72 h THR 204 Cb 0.08 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1i72 h THR 204 CO -0.02 0.08 -0.11 -0.09 0.37 0.00 0.00 175.52 175.75 1i72 h ARG 205 N 0.42 -0.29 0.00 6.66 2.43 -1.28 -1.21 114.38 121.11 1i72 h ARG 205 Ca 0.26 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1i72 h ARG 205 Cb 0.27 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1i72 h ARG 205 CO -0.24 0.08 -0.07 0.93 -1.51 0.00 0.00 179.97 179.15 1i72 h GLU 206 N -0.91 0.00 0.00 0.20 5.08 -1.08 -2.12 114.58 115.75 1i72 h GLU 206 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1i72 h GLU 206 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1i72 h GLU 206 CO 0.05 0.07 -0.21 -1.13 -1.00 0.00 0.00 179.01 176.79 1i72 n SER 207 N -3.89 0.65 0.00 1.42 3.41 -0.51 -4.92 113.62 109.77 1i72 n SER 207 Ca -0.02 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1i72 n SER 207 Cb 0.16 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1i72 n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i72 n GLY 208 N 1.35 0.67 0.09 5.00 0.00 -0.80 -4.92 105.19 106.58 1i72 n GLY 208 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1i72 n GLY 208 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i72 h ILE 209 N 0.00 1.17 -0.64 -0.61 2.04 -1.65 -3.24 117.51 114.58 1i72 h ILE 209 Ca 0.00 -0.50 0.13 0.00 1.00 0.00 0.00 64.86 65.49 1i72 h ILE 209 Cb 0.00 1.29 -0.12 0.00 -0.74 0.00 0.00 36.82 37.25 1i72 h ILE 209 CO 0.00 0.15 -0.15 -0.09 0.00 0.00 0.00 178.15 178.05 1i72 h ARG 210 N 0.00 0.00 0.00 2.37 2.43 -1.51 -0.89 114.38 116.79 1i72 h ARG 210 Ca 0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1i72 h ARG 210 Cb 0.20 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1i72 h ARG 210 CO -0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1i72 n ASP 211 N -5.43 0.00 -0.09 -3.80 8.00 -1.22 -3.69 116.55 110.32 1i72 n ASP 211 Ca 0.08 -1.73 -0.07 0.00 0.71 0.00 0.00 54.79 53.77 1i72 n ASP 211 Cb 0.33 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.52 1i72 n ASP 211 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i72 h LEU 212 N 0.00 0.79 -6.35 0.64 3.38 -1.20 -3.36 115.31 109.21 1i72 h LEU 212 Ca 0.00 -0.28 -0.50 0.00 0.09 0.00 0.00 57.88 57.19 1i72 h LEU 212 Cb 0.00 -0.22 -0.35 0.00 0.09 0.00 0.00 40.66 40.18 1i72 h LEU 212 CO 0.00 0.98 -0.83 -0.63 0.09 0.00 0.00 178.44 178.05 1i72 s ILE 213 N -4.65 0.01 0.77 1.22 1.01 -1.24 -5.08 121.20 113.25 1i72 s ILE 213 Ca -0.09 -1.80 -0.15 0.00 0.00 0.00 0.00 60.65 58.61 1i72 s ILE 213 Cb 0.13 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1i72 s ILE 213 CO 0.83 -0.91 0.73 -2.65 0.00 0.00 0.00 174.94 172.94 1i72 n PRO 214 N 3.61 0.23 -2.01 2.79 -0.02 -1.26 -3.81 135.00 134.53 1i72 n PRO 214 Ca 0.18 0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1i72 n PRO 214 Cb 0.44 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1i72 n PRO 214 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i72 n GLY 215 N 1.30 0.22 3.93 -1.23 0.00 -1.26 -5.02 105.19 103.13 1i72 n GLY 215 Ca 0.11 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1i72 n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i72 s SER 216 N -2.58 6.36 -0.22 1.61 0.01 -1.25 -4.76 113.70 112.88 1i72 s SER 216 Ca 0.00 0.26 -0.20 0.00 1.31 0.00 0.00 55.95 57.32 1i72 s SER 216 Cb 0.00 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 1i72 s SER 216 CO 0.00 0.07 0.60 -0.69 0.41 0.00 0.00 173.24 173.64 1i72 s VAL 217 N -1.68 5.03 -0.06 3.43 1.01 0.73 -4.87 120.40 123.98 1i72 s VAL 217 Ca 0.36 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.50 1i72 s VAL 217 Cb -0.12 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1i72 s VAL 217 CO 0.28 0.10 -0.24 -0.63 0.00 0.00 0.00 175.10 174.61 1i72 s ILE 218 N 2.05 2.16 -0.30 2.22 1.01 -1.26 -1.48 121.20 125.59 1i72 s ILE 218 Ca 0.27 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1i72 s ILE 218 Cb -0.16 -1.79 0.08 0.00 0.01 0.00 0.00 42.46 40.61 1i72 s ILE 218 CO 0.10 0.57 -0.01 -0.62 0.00 0.00 0.00 174.94 174.98 1i72 s ASP 219 N -0.17 4.55 0.11 3.58 -1.08 -0.78 -5.00 116.67 117.88 1i72 s ASP 219 Ca -0.03 -1.80 0.08 0.00 -0.52 0.00 0.00 52.55 50.28 1i72 s ASP 219 Cb -0.14 -1.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.76 1i72 s ASP 219 CO 0.04 -0.31 -0.13 0.00 0.52 0.00 0.00 175.17 175.29 1i72 s ALA 220 N 1.04 2.85 -0.02 3.66 0.00 -1.26 -1.71 121.76 126.33 1i72 s ALA 220 Ca 0.03 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1i72 s ALA 220 Cb -0.19 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1i72 s ALA 220 CO -0.08 0.62 -0.01 0.99 0.00 0.00 0.00 175.76 177.28 1i72 s THR 221 N -1.18 0.18 -0.23 0.00 2.01 0.50 -4.85 115.64 112.07 1i72 s THR 221 Ca 0.20 -0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.12 1i72 s THR 221 Cb -0.11 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1i72 s THR 221 CO 0.12 0.10 0.06 -0.04 -0.69 0.00 0.00 174.62 174.17 1i72 s MET 222 N 0.48 3.71 0.36 4.92 -1.94 -1.26 -1.39 119.30 124.18 1i72 s MET 222 Ca -0.05 -0.46 -0.10 0.00 -1.71 0.00 0.00 55.69 53.37 1i72 s MET 222 Cb -0.07 -3.27 -0.07 0.00 2.01 0.00 0.00 34.83 33.43 1i72 s MET 222 CO -0.01 -0.07 0.71 -0.06 -0.01 0.00 0.00 175.02 175.57 1i72 s PHE 223 N 1.30 3.45 -0.23 -0.03 0.40 -0.36 -5.00 117.98 117.52 1i72 s PHE 223 Ca 0.05 0.98 -0.15 0.00 -0.60 0.00 0.00 56.93 57.21 1i72 s PHE 223 Cb -0.15 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1i72 s PHE 223 CO 0.03 0.01 0.38 1.21 0.70 0.00 0.00 175.22 177.55 1i72 s ASN 224 N -2.95 6.36 0.19 1.36 3.84 -1.26 -1.94 114.94 120.54 1i72 s ASN 224 Ca 0.50 0.42 0.23 0.00 0.21 0.00 0.00 52.86 54.22 1i72 s ASN 224 Cb -0.10 -2.22 0.08 0.00 -0.55 0.00 0.00 41.25 38.45 1i72 s ASN 224 CO 0.28 -0.12 1.12 1.55 -2.79 0.00 0.00 177.10 177.14 1i72 h PRO 225 N 7.67 0.00 -4.19 0.43 0.13 -1.98 -3.49 132.00 130.56 1i72 h PRO 225 Ca -0.34 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.65 1i72 h PRO 225 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1i72 h PRO 225 CO 0.69 0.00 -0.57 0.00 -0.23 0.00 0.00 178.00 177.89 1i72 n GLY 227 N -0.04 3.36 3.38 0.00 0.00 -0.50 -4.46 105.19 106.93 1i72 n GLY 227 Ca -0.10 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1i72 n GLY 227 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i72 s TYR 228 N -2.18 -0.53 0.04 1.61 5.04 -1.01 -1.22 117.35 119.10 1i72 s TYR 228 Ca 0.00 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1i72 s TYR 228 Cb 0.00 0.18 -0.03 0.00 0.35 0.00 0.00 41.96 42.47 1i72 s TYR 228 CO 0.00 -0.26 -0.05 -1.12 -1.34 0.00 0.00 175.55 172.78 1i72 s SER 229 N 0.27 0.65 -0.08 4.32 0.01 -0.48 -0.06 113.70 118.33 1i72 s SER 229 Ca -0.00 -0.64 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 1i72 s SER 229 Cb -0.03 0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.35 1i72 s SER 229 CO 0.00 -0.31 0.66 0.00 0.41 0.00 0.00 173.24 174.00 1i72 s MET 230 N -2.10 1.00 -0.02 12.44 0.23 -0.34 -0.37 119.30 130.15 1i72 s MET 230 Ca -0.07 0.33 0.06 0.00 -1.03 0.00 0.00 55.69 54.98 1i72 s MET 230 Cb -0.06 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1i72 s MET 230 CO -0.02 -0.29 -0.21 -0.80 -2.03 0.00 0.00 175.02 171.67 1i72 s ASN 231 N -0.98 2.46 0.05 -1.18 0.02 -0.69 -1.85 114.94 112.76 1i72 s ASN 231 Ca -0.10 -0.38 0.05 0.00 -1.02 0.00 0.00 52.86 51.41 1i72 s ASN 231 Cb -0.01 -0.27 -0.02 0.00 0.02 0.00 0.00 41.25 40.96 1i72 s ASN 231 CO 0.08 0.26 -0.14 -0.83 0.02 0.00 0.00 177.10 176.49 1i72 s GLY 232 N -0.50 0.80 -0.13 0.66 0.00 0.27 -1.87 107.32 106.54 1i72 s GLY 232 Ca 0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 1i72 s GLY 232 CO -0.01 -0.88 0.35 1.06 0.00 0.00 0.00 173.10 173.62 1i72 s MET 233 N -1.36 0.39 0.19 2.90 -1.94 -0.55 -1.24 119.30 117.68 1i72 s MET 233 Ca -0.00 0.52 0.07 0.00 -1.71 0.00 0.00 55.69 54.57 1i72 s MET 233 Cb -0.09 0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.86 1i72 s MET 233 CO 0.02 -0.07 0.04 0.15 -0.01 0.00 0.00 175.02 175.15 1i72 s LYS 234 N 0.42 2.54 0.56 2.03 1.02 0.01 -0.19 119.74 126.13 1i72 s LYS 234 Ca -0.02 -1.08 0.25 0.00 0.02 0.00 0.00 55.97 55.14 1i72 s LYS 234 Cb -0.04 -2.42 1.58 0.00 -0.52 0.00 0.00 37.83 36.44 1i72 s LYS 234 CO -0.02 0.45 2.17 0.66 -0.92 0.00 0.00 175.35 177.69 1i72 h SER 235 N 2.47 0.00 0.00 2.83 4.64 -1.88 -1.76 113.55 119.85 1i72 h SER 235 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1i72 h SER 235 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1i72 h SER 235 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1i72 n ASP 236 N -4.09 0.00 0.00 4.97 5.75 -1.26 -4.82 116.55 117.10 1i72 n ASP 236 Ca -0.01 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 1i72 n ASP 236 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1i72 n ASP 236 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i72 n GLY 237 N 0.43 0.74 3.74 6.12 0.00 -0.66 -5.06 105.19 110.50 1i72 n GLY 237 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1i72 n GLY 237 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i72 s THR 238 N -2.22 3.92 0.15 2.61 2.01 -1.23 -4.89 115.64 115.99 1i72 s THR 238 Ca 0.00 1.68 0.06 0.00 0.31 0.00 0.00 61.69 63.74 1i72 s THR 238 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1i72 s THR 238 CO 0.00 0.30 -0.14 -0.72 -0.69 0.00 0.00 174.62 173.37 1i72 s TYR 239 N -0.31 1.47 -0.09 4.92 -0.85 -1.26 -0.81 117.35 120.41 1i72 s TYR 239 Ca 0.48 -0.59 -0.21 0.00 -0.52 0.00 0.00 57.07 56.23 1i72 s TYR 239 Cb -0.29 -0.74 0.05 0.00 0.38 0.00 0.00 41.96 41.36 1i72 s TYR 239 CO 0.35 0.19 0.51 1.67 -1.52 0.00 0.00 175.55 176.74 1i72 s TRP 240 N -2.50 -0.48 -0.04 -3.49 1.48 -0.37 -2.66 118.94 110.89 1i72 s TRP 240 Ca 0.13 0.96 -0.04 0.00 -1.06 0.00 0.00 56.10 56.09 1i72 s TRP 240 Cb -0.03 0.23 0.01 0.00 -1.16 0.00 0.00 33.47 32.52 1i72 s TRP 240 CO 0.04 -0.42 0.11 -0.08 -4.06 0.00 0.00 176.95 172.54 1i72 s THR 241 N -0.70 0.01 -0.03 0.66 -1.32 -0.35 0.94 115.64 114.86 1i72 s THR 241 Ca -0.08 -0.12 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 1i72 s THR 241 Cb -0.03 -0.20 0.01 0.00 -1.51 0.00 0.00 72.50 70.77 1i72 s THR 241 CO 0.05 -0.06 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.69 1i72 s ILE 242 N -0.16 0.67 -0.06 5.08 1.01 -0.77 -1.84 121.20 125.11 1i72 s ILE 242 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1i72 s ILE 242 Cb -0.02 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1i72 s ILE 242 CO 0.00 0.22 -0.08 -1.00 0.00 0.00 0.00 174.94 174.08 1i72 s HIS 243 N 0.34 1.15 -0.10 3.97 3.76 -1.10 -1.20 115.29 122.11 1i72 s HIS 243 Ca -0.05 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 1i72 s HIS 243 Cb -0.09 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.68 1i72 s HIS 243 CO 0.00 -0.28 -0.22 0.42 -0.85 0.00 0.00 174.74 173.81 1i72 s ILE 244 N 0.97 1.91 -0.44 0.60 1.01 0.92 -1.83 121.20 124.34 1i72 s ILE 244 Ca -0.10 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.66 1i72 s ILE 244 Cb -0.15 -1.66 0.12 0.00 0.01 0.00 0.00 42.46 40.78 1i72 s ILE 244 CO 0.00 0.53 0.16 -0.89 0.00 0.00 0.00 174.94 174.74 1i72 s THR 245 N 0.41 2.43 -0.76 2.92 2.01 0.62 -2.40 115.64 120.87 1i72 s THR 245 Ca -0.18 -2.87 0.25 0.00 0.31 0.00 0.00 61.69 59.20 1i72 s THR 245 Cb -0.18 -2.74 0.25 0.00 0.01 0.00 0.00 72.50 69.85 1i72 s THR 245 CO 0.08 -0.71 1.77 -0.81 -0.69 0.00 0.00 174.62 174.26 1i72 n PRO 246 N 3.64 0.16 -1.68 4.92 -0.04 -1.26 -0.22 135.00 140.51 1i72 n PRO 246 Ca 0.05 0.22 -0.49 0.00 -0.04 0.00 0.00 63.50 63.23 1i72 n PRO 246 Cb 0.37 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1i72 n PRO 246 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1i72 n GLU 247 N -2.01 2.06 -0.25 0.54 4.71 -1.26 -4.73 120.64 119.70 1i72 n GLU 247 Ca 0.05 0.75 0.23 0.00 -0.01 0.00 0.00 57.16 58.19 1i72 n GLU 247 Cb 0.34 -2.57 0.58 0.00 -1.01 0.00 0.00 31.44 28.78 1i72 n GLU 247 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1i72 h PRO 248 N 8.39 0.27 0.00 3.49 0.13 -1.97 0.15 132.00 142.46 1i72 h PRO 248 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1i72 h PRO 248 Cb 1.27 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1i72 h PRO 248 CO 0.94 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 179.27 1i72 n GLU 249 N -4.46 0.18 -2.61 0.86 4.71 -1.26 -4.02 120.64 114.04 1i72 n GLU 249 Ca 0.21 0.37 -0.02 0.00 -0.01 0.00 0.00 57.16 57.71 1i72 n GLU 249 Cb 0.84 -1.82 0.12 0.00 -1.01 0.00 0.00 31.44 29.57 1i72 n GLU 249 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1i72 n PHE 250 N -2.16 -1.97 -1.68 -0.32 1.16 -0.60 -5.14 117.46 106.75 1i72 n PHE 250 Ca 0.03 -1.63 -0.44 0.00 -1.87 0.00 0.00 57.45 53.54 1i72 n PHE 250 Cb 0.25 1.52 -0.02 0.00 -1.61 0.00 0.00 39.48 39.63 1i72 n PHE 250 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1i72 n SER 251 N -1.47 2.60 -3.66 5.98 3.41 0.42 -4.83 113.62 116.07 1i72 n SER 251 Ca -0.17 1.18 -0.14 0.00 -0.26 0.00 0.00 58.87 59.48 1i72 n SER 251 Cb 0.86 -1.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1i72 n SER 251 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1i72 s TYR 252 N -0.68 -0.59 -0.06 7.33 5.04 0.69 -3.57 117.35 125.51 1i72 s TYR 252 Ca 0.61 1.36 -0.02 0.00 -2.44 0.00 0.00 57.07 56.57 1i72 s TYR 252 Cb -0.62 0.23 0.04 0.00 0.35 0.00 0.00 41.96 41.97 1i72 s TYR 252 CO 0.57 -0.36 0.12 0.08 -1.34 0.00 0.00 175.55 174.62 1i72 s VAL 253 N -0.08 -0.06 0.07 3.14 1.01 -0.26 -0.27 120.40 123.95 1i72 s VAL 253 Ca -0.03 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1i72 s VAL 253 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1i72 s VAL 253 CO 0.03 0.08 -0.18 -0.94 0.00 0.00 0.00 175.10 174.09 1i72 s SER 254 N 1.19 3.84 -0.04 3.32 1.04 -0.76 0.13 113.70 122.42 1i72 s SER 254 Ca -0.09 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 55.87 1i72 s SER 254 Cb -0.12 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.43 1i72 s SER 254 CO -0.05 0.23 0.02 0.12 0.98 0.00 0.00 173.24 174.53 1i72 s PHE 255 N -1.00 0.32 0.01 5.02 5.36 -0.32 -2.70 117.98 124.66 1i72 s PHE 255 Ca 0.16 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.18 1i72 s PHE 255 Cb -0.11 -0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 42.07 1i72 s PHE 255 CO 0.07 -0.18 -0.06 -2.00 -1.46 0.00 0.00 175.22 171.59 1i72 s GLU 256 N 1.47 0.47 -0.01 10.12 2.12 -0.77 0.07 118.70 132.17 1i72 s GLU 256 Ca -0.04 -0.35 -0.28 0.00 0.36 0.00 0.00 54.97 54.66 1i72 s GLU 256 Cb -0.13 -0.40 0.09 0.00 0.26 0.00 0.00 34.13 33.95 1i72 s GLU 256 CO -0.03 0.10 0.75 -0.08 -0.54 0.00 0.00 175.26 175.47 1i72 s THR 257 N -0.47 0.00 -0.59 -1.70 -1.32 -0.22 -1.21 115.64 110.14 1i72 s THR 257 Ca -0.01 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.60 1i72 s THR 257 Cb -0.04 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.34 1i72 s THR 257 CO -0.00 0.00 1.32 -0.46 -2.21 0.00 0.00 174.62 173.27 1i72 n ASN 258 N 0.36 3.30 -4.62 8.08 6.94 -1.09 -0.63 115.26 127.60 1i72 n ASN 258 Ca -0.15 -2.43 -0.49 0.00 -0.02 0.00 0.00 54.58 51.49 1i72 n ASN 258 Cb 0.60 -0.36 -0.05 0.00 -2.36 0.00 0.00 39.78 37.62 1i72 n ASN 258 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1i72 n LEU 259 N 0.05 2.20 -4.71 -4.53 7.94 -1.26 -4.62 117.00 112.08 1i72 n LEU 259 Ca 0.15 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.75 1i72 n LEU 259 Cb 0.62 -1.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.25 1i72 n LEU 259 CO 0.11 -0.83 0.73 -0.55 -1.11 0.00 0.00 177.39 175.74 1i72 s SER 260 N 0.45 7.31 -0.04 1.96 0.15 -1.26 -4.94 113.70 117.33 1i72 s SER 260 Ca 0.78 1.68 -0.07 0.00 0.70 0.00 0.00 55.95 59.04 1i72 s SER 260 Cb -0.82 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 60.94 1i72 s SER 260 CO 0.46 -0.32 0.18 -1.10 1.20 0.00 0.00 173.24 173.66 1i72 s GLN 261 N 1.21 0.34 0.24 5.44 -1.52 -1.26 -5.03 119.66 119.07 1i72 s GLN 261 Ca 0.52 0.02 0.06 0.00 -1.95 0.00 0.00 55.36 54.01 1i72 s GLN 261 Cb -0.22 0.15 0.25 0.00 -0.22 0.00 0.00 33.01 32.98 1i72 s GLN 261 CO 0.26 -0.07 1.55 1.15 -0.25 0.00 0.00 175.29 177.94 1i72 h THR 262 N 4.58 1.43 -2.92 -0.19 2.02 -1.96 -3.29 112.91 112.57 1i72 h THR 262 Ca -0.27 -2.13 -0.17 0.00 0.77 0.00 0.00 66.41 64.61 1i72 h THR 262 Cb 1.19 2.12 -0.28 0.00 -1.74 0.00 0.00 68.15 69.44 1i72 h THR 262 CO 0.39 0.62 -0.41 -0.55 0.37 0.00 0.00 175.52 175.94 1i72 s SER 263 N -6.88 -0.34 0.00 4.18 0.15 -1.26 -4.24 113.70 105.31 1i72 s SER 263 Ca -0.03 0.63 0.22 0.00 0.70 0.00 0.00 55.95 57.48 1i72 s SER 263 Cb 0.12 0.54 0.80 0.00 -1.71 0.00 0.00 66.02 65.77 1i72 s SER 263 CO 0.79 -0.16 1.58 -1.22 1.20 0.00 0.00 173.24 175.43 1i72 n TYR 264 N 3.99 0.18 0.03 3.44 4.02 -1.26 -4.43 117.16 123.12 1i72 n TYR 264 Ca -0.22 -0.09 -0.11 0.00 -0.01 0.00 0.00 57.90 57.47 1i72 n TYR 264 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.82 1i72 n TYR 264 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i72 h ASP 265 N 2.23 -0.85 -0.28 7.72 3.45 -1.99 -0.92 116.42 125.78 1i72 h ASP 265 Ca 0.00 0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.61 1i72 h ASP 265 Cb 0.49 0.36 -0.03 0.00 -0.56 0.00 0.00 39.33 39.58 1i72 h ASP 265 CO 0.00 -0.34 0.09 0.44 -1.57 0.00 0.00 179.24 177.87 1i72 h ASP 266 N -0.39 0.10 -0.34 6.45 3.32 -2.00 -1.55 116.42 122.01 1i72 h ASP 266 Ca 0.08 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1i72 h ASP 266 Cb 0.51 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1i72 h ASP 266 CO -0.28 0.09 0.22 0.25 -1.72 0.00 0.00 179.24 177.80 1i72 h LEU 267 N 0.22 0.39 -0.61 1.55 5.85 -1.78 -0.99 115.31 119.94 1i72 h LEU 267 Ca 0.12 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1i72 h LEU 267 Cb 0.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1i72 h LEU 267 CO -0.13 0.30 0.37 0.40 -0.34 0.00 0.00 178.44 179.04 1i72 h ILE 268 N 0.45 1.05 -0.28 4.05 2.04 -0.99 -1.38 117.51 122.46 1i72 h ILE 268 Ca 0.12 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1i72 h ILE 268 Cb -0.03 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1i72 h ILE 268 CO -0.03 0.13 0.09 -0.09 0.00 0.00 0.00 178.15 178.26 1i72 h ARG 269 N 0.71 0.21 -0.22 2.37 2.43 -0.91 -0.32 114.38 118.65 1i72 h ARG 269 Ca 0.25 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1i72 h ARG 269 Cb 0.05 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1i72 h ARG 269 CO -0.12 0.14 0.12 0.87 -1.51 0.00 0.00 179.97 179.47 1i72 h LYS 270 N 0.22 0.25 -0.20 0.20 1.79 -0.75 -0.93 116.57 117.13 1i72 h LYS 270 Ca 0.12 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1i72 h LYS 270 Cb 0.09 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1i72 h LYS 270 CO -0.13 0.16 0.12 0.28 -1.08 0.00 0.00 179.45 178.80 1i72 h VAL 271 N 0.25 1.10 -0.92 0.50 2.07 -0.92 -1.63 116.25 116.70 1i72 h VAL 271 Ca 0.09 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1i72 h VAL 271 Cb 0.01 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1i72 h VAL 271 CO -0.05 0.09 0.60 0.58 0.02 0.00 0.00 177.57 178.82 1i72 h VAL 272 N 0.24 1.13 0.00 2.57 2.07 -0.92 -1.97 116.25 119.37 1i72 h VAL 272 Ca 0.07 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1i72 h VAL 272 Cb 0.05 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1i72 h VAL 272 CO -0.01 0.20 -0.45 -0.33 0.02 0.00 0.00 177.57 177.00 1i72 h GLU 273 N 1.12 0.00 0.01 1.57 5.08 -0.79 0.29 114.58 121.87 1i72 h GLU 273 Ca 0.37 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.50 1i72 h GLU 273 Cb 0.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1i72 h GLU 273 CO -0.12 0.45 -0.94 0.28 -1.00 0.00 0.00 179.01 177.68 1i72 h VAL 274 N 0.00 1.32 0.00 3.13 2.07 -0.61 -3.36 116.25 118.80 1i72 h VAL 274 Ca -0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1i72 h VAL 274 Cb 0.85 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1i72 h VAL 274 CO 0.06 0.68 -1.46 0.49 0.02 0.00 0.00 177.57 177.35 1i72 n PHE 275 N -3.95 0.44 -3.65 1.57 3.01 -0.81 -5.00 117.46 109.07 1i72 n PHE 275 Ca -0.11 0.13 -0.26 0.00 1.01 0.00 0.00 57.45 58.21 1i72 n PHE 275 Cb 0.83 -0.68 0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1i72 n PHE 275 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1i72 n LYS 276 N -2.39 -1.21 -2.30 -1.08 5.02 0.10 -3.91 118.16 112.39 1i72 n LYS 276 Ca -0.02 0.67 -0.31 0.00 -2.02 0.00 0.00 58.31 56.63 1i72 n LYS 276 Cb 0.54 -3.75 -0.02 0.00 -0.02 0.00 0.00 35.03 31.78 1i72 n LYS 276 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1i72 s PRO 277 N -5.37 3.78 0.05 1.97 0.04 -1.26 -1.66 135.00 132.54 1i72 s PRO 277 Ca 0.28 0.76 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1i72 s PRO 277 Cb -0.11 -2.17 -0.23 0.00 0.04 0.00 0.00 34.50 32.03 1i72 s PRO 277 CO 0.86 -0.33 1.00 0.78 0.04 0.00 0.00 177.00 179.36 1i72 h GLY 278 N 0.50 0.06 -3.51 0.56 0.00 0.17 -3.46 103.07 97.39 1i72 h GLY 278 Ca -0.46 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1i72 h GLY 278 CO 0.62 0.14 -0.06 -1.59 0.00 0.00 0.00 176.54 175.65 1i72 s LYS 279 N -2.66 0.99 0.01 4.80 -2.85 -1.15 -0.53 119.74 118.36 1i72 s LYS 279 Ca -0.03 -0.44 -0.28 0.00 -1.00 0.00 0.00 55.97 54.22 1i72 s LYS 279 Cb 0.09 0.44 0.10 0.00 -2.06 0.00 0.00 37.83 36.40 1i72 s LYS 279 CO 0.83 -0.36 0.87 -0.59 0.10 0.00 0.00 175.35 176.19 1i72 s PHE 280 N -2.89 -0.36 0.16 1.78 -0.12 -0.89 -1.11 117.98 114.56 1i72 s PHE 280 Ca -0.03 0.21 0.08 0.00 -0.05 0.00 0.00 56.93 57.14 1i72 s PHE 280 Cb 0.00 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1i72 s PHE 280 CO -0.05 -0.58 -0.17 0.14 -0.05 0.00 0.00 175.22 174.51 1i72 s VAL 281 N -3.18 1.69 0.06 -2.49 -7.23 -0.70 -0.28 120.40 108.27 1i72 s VAL 281 Ca 0.05 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1i72 s VAL 281 Cb -0.01 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1i72 s VAL 281 CO -0.09 -0.36 -0.15 0.42 -0.31 0.00 0.00 175.10 174.60 1i72 s THR 282 N -2.15 1.21 -0.02 5.32 -4.23 0.63 -1.25 115.64 115.14 1i72 s THR 282 Ca 0.15 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1i72 s THR 282 Cb -0.05 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1i72 s THR 282 CO 0.06 -0.12 -0.10 0.42 -0.54 0.00 0.00 174.62 174.35 1i72 s THR 283 N -1.11 0.81 -0.04 3.99 -4.23 -0.67 -1.52 115.64 112.87 1i72 s THR 283 Ca 0.01 -0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 60.11 1i72 s THR 283 Cb -0.09 -0.71 0.03 0.00 1.34 0.00 0.00 72.50 73.07 1i72 s THR 283 CO 0.02 0.25 0.05 -0.22 -0.54 0.00 0.00 174.62 174.18 1i72 s LEU 284 N 0.11 0.41 -0.09 4.79 2.96 -0.38 -1.28 118.68 125.19 1i72 s LEU 284 Ca -0.02 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1i72 s LEU 284 Cb -0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 1i72 s LEU 284 CO 0.00 -0.21 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.41 1i72 s PHE 285 N 1.85 3.01 -0.13 5.38 0.40 -0.37 -1.64 117.98 126.49 1i72 s PHE 285 Ca 0.01 -0.00 -0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1i72 s PHE 285 Cb -0.12 -1.78 0.06 0.00 0.51 0.00 0.00 43.02 41.69 1i72 s PHE 285 CO -0.03 0.29 0.29 0.08 0.70 0.00 0.00 175.22 176.55 1i72 s VAL 286 N -0.58 -0.27 0.68 -0.44 1.01 -0.67 -1.55 120.40 118.58 1i72 s VAL 286 Ca 0.09 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1i72 s VAL 286 Cb -0.12 -0.47 0.10 0.00 0.00 0.00 0.00 36.38 35.90 1i72 s VAL 286 CO 0.02 0.08 0.95 0.54 0.00 0.00 0.00 175.10 176.69 1i72 s ASN 287 N 1.94 4.57 0.52 3.32 4.22 -0.80 -0.77 114.94 127.95 1i72 s ASN 287 Ca -0.04 -0.23 0.20 0.00 -2.14 0.00 0.00 52.86 50.65 1i72 s ASN 287 Cb -0.11 -0.28 1.31 0.00 1.28 0.00 0.00 41.25 43.45 1i72 s ASN 287 CO -0.10 -1.69 2.07 1.56 -2.04 0.00 0.00 177.10 176.91 1i72 h GLN 288 N -0.41 0.03 -0.01 3.55 1.08 -1.90 -2.47 115.11 114.98 1i72 h GLN 288 Ca -0.38 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1i72 h GLN 288 Cb 1.28 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1i72 h GLN 288 CO 0.44 0.02 -0.40 -1.13 -0.95 0.00 0.00 178.83 176.81 1i72 n SER 289 N -4.47 1.12 -4.75 1.46 3.41 -1.26 -4.96 113.62 104.17 1i72 n SER 289 Ca 0.03 -0.90 -0.38 0.00 -0.26 0.00 0.00 58.87 57.36 1i72 n SER 289 Cb 0.33 0.28 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 1i72 n SER 289 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1i72 s SER 290 N -2.62 5.25 0.11 4.04 0.15 -0.93 -4.54 113.70 115.15 1i72 s SER 290 Ca 0.20 2.71 0.21 0.00 0.70 0.00 0.00 55.95 59.76 1i72 s SER 290 Cb 0.18 -2.63 0.84 0.00 -1.71 0.00 0.00 66.02 62.70 1i72 s SER 290 CO 0.59 -1.58 1.64 0.29 1.20 0.00 0.00 173.24 175.38 1i72 n LYS 291 N -1.11 0.09 -2.89 5.44 4.76 -1.26 -4.51 118.16 118.68 1i72 n LYS 291 Ca 0.11 0.27 -0.43 0.00 -2.87 0.00 0.00 58.31 55.39 1i72 n LYS 291 Cb 0.46 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.95 1i72 n LYS 291 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i72 n ARG 293 N 7.41 4.10 -2.17 0.00 5.12 -1.26 -4.95 116.66 124.91 1i72 n ARG 293 Ca -0.02 -4.77 -0.40 0.00 -1.93 0.00 0.00 57.85 50.73 1i72 n ARG 293 Cb 0.46 -2.34 -0.02 0.00 -1.16 0.00 0.00 32.46 29.41 1i72 n ARG 293 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1i72 s PRO 299 N -3.72 4.15 0.30 5.56 0.04 -1.26 -5.18 135.00 134.90 1i72 s PRO 299 Ca 0.44 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.35 1i72 s PRO 299 Cb 0.23 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 1i72 s PRO 299 CO -0.12 -0.30 0.79 -0.65 0.04 0.00 0.00 177.00 176.76 1i72 s GLN 300 N -2.06 4.21 -0.08 4.56 -0.21 -1.26 -5.03 119.66 119.79 1i72 s GLN 300 Ca 0.54 0.91 -0.08 0.00 0.02 0.00 0.00 55.36 56.74 1i72 s GLN 300 Cb -0.36 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.01 1i72 s GLN 300 CO 0.47 0.23 -0.16 1.17 -2.12 0.00 0.00 175.29 174.88 1i72 n LYS 301 N 0.13 0.24 -2.50 2.91 4.81 -1.26 -4.92 118.16 117.57 1i72 n LYS 301 Ca 0.02 0.09 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1i72 n LYS 301 Cb 0.52 -0.90 -0.03 0.00 0.02 0.00 0.00 35.03 34.64 1i72 n LYS 301 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1i72 n ILE 302 N -3.41-13.18 -1.77 3.15 2.08 -1.26 -4.74 119.36 100.23 1i72 n ILE 302 Ca -0.06 2.95 -0.42 0.00 0.56 0.00 0.00 62.75 65.78 1i72 n ILE 302 Cb 0.23 -6.41 -0.02 0.00 -0.75 0.00 0.00 39.64 32.69 1i72 n ILE 302 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1i72 s GLU 303 N -0.66 4.13 0.00 0.38 2.02 -1.26 -2.63 118.70 120.69 1i72 s GLU 303 Ca -0.19 2.57 0.00 0.00 0.02 0.00 0.00 54.97 57.38 1i72 s GLU 303 Cb 0.01 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1i72 s GLU 303 CO 0.51 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1i72 n GLY 304 N 3.22 0.74 3.15 -1.39 0.00 -1.26 -5.05 105.19 104.59 1i72 n GLY 304 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1i72 n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i72 s PHE 305 N -2.41 1.26 -0.19 1.61 0.40 -1.08 -3.86 117.98 113.71 1i72 s PHE 305 Ca 0.00 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 1i72 s PHE 305 Cb 0.00 -0.75 -0.05 0.00 0.51 0.00 0.00 43.02 42.74 1i72 s PHE 305 CO 0.00 0.04 0.21 0.21 0.70 0.00 0.00 175.22 176.37 1i72 s LYS 306 N -1.16 4.21 -0.33 0.44 2.20 -0.25 -4.82 119.74 120.03 1i72 s LYS 306 Ca 0.02 -0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.26 1i72 s LYS 306 Cb -0.08 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1i72 s LYS 306 CO 0.01 0.25 1.10 0.50 -0.36 0.00 0.00 175.35 176.86 1i72 s ARG 307 N 0.46 4.03 -0.10 4.03 3.52 -1.26 -1.74 118.95 127.89 1i72 s ARG 307 Ca 0.12 1.06 -0.21 0.00 -0.13 0.00 0.00 55.73 56.57 1i72 s ARG 307 Cb -0.12 -3.76 -0.28 0.00 -1.56 0.00 0.00 34.95 29.23 1i72 s ARG 307 CO 0.01 -0.95 0.68 -0.07 -0.81 0.00 0.00 175.30 174.16 1i72 h LEU 308 N 10.23 0.31 -8.19 -0.88 3.38 -0.98 -3.49 115.31 115.70 1i72 h LEU 308 Ca -0.21 -0.88 -0.12 0.00 0.09 0.00 0.00 57.88 56.76 1i72 h LEU 308 Cb 1.06 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 1i72 h LEU 308 CO 1.04 1.42 -0.62 -1.81 0.09 0.00 0.00 178.44 178.56 1i72 s ASP 309 N -6.86 0.41 -0.30 -0.43 1.01 -1.17 -4.98 116.67 104.36 1i72 s ASP 309 Ca -0.18 -0.96 -0.01 0.00 0.71 0.00 0.00 52.55 52.10 1i72 s ASP 309 Cb 0.02 0.23 0.19 0.00 1.01 0.00 0.00 42.92 44.37 1i72 s ASP 309 CO 0.76 -0.64 0.65 0.00 0.21 0.00 0.00 175.17 176.15 1i72 s GLN 311 N 2.87 1.41 0.22 0.00 -0.21 0.32 -4.98 119.66 119.28 1i72 s GLN 311 Ca 0.17 -1.20 0.10 0.00 0.02 0.00 0.00 55.36 54.46 1i72 s GLN 311 Cb -0.14 -1.73 -0.05 0.00 1.00 0.00 0.00 33.01 32.09 1i72 s GLN 311 CO -0.21 0.42 -0.19 -1.12 -2.12 0.00 0.00 175.29 172.08 1i72 s SER 312 N -1.73 3.08 -0.03 5.90 0.01 -1.26 -0.38 113.70 119.29 1i72 s SER 312 Ca 0.11 -0.96 -0.27 0.00 1.31 0.00 0.00 55.95 56.14 1i72 s SER 312 Cb -0.10 -0.22 0.06 0.00 0.21 0.00 0.00 66.02 65.98 1i72 s SER 312 CO 0.04 -0.02 0.60 0.00 0.41 0.00 0.00 173.24 174.27 1i72 s ALA 313 N -2.38 -1.55 -0.20 1.44 0.00 -0.39 -4.98 121.76 113.70 1i72 s ALA 313 Ca 0.23 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 1i72 s ALA 313 Cb -0.05 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1i72 s ALA 313 CO 0.10 -0.37 -0.12 -1.64 0.00 0.00 0.00 175.76 173.72 1i72 s MET 314 N -1.40 3.12 0.00 0.00 -1.94 -1.26 0.17 119.30 117.99 1i72 s MET 314 Ca -0.11 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 1i72 s MET 314 Cb -0.01 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 34.04 1i72 s MET 314 CO 0.07 -0.23 0.00 1.19 -0.01 0.00 0.00 175.02 176.04 1i72 n PHE 315 N 4.69 -1.45 -0.31 -0.03 3.72 0.37 -5.02 117.46 119.43 1i72 n PHE 315 Ca -0.19 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.11 1i72 n PHE 315 Cb 0.50 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 1i72 n PHE 315 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1i72 h ASN 316 N 0.00 -1.76 0.00 4.37 2.35 -1.94 -3.35 115.58 115.25 1i72 h ASN 316 Ca 0.00 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1i72 h ASN 316 Cb 0.00 0.77 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1i72 h ASN 316 CO 0.00 -0.22 -0.41 0.47 -1.65 0.00 0.00 177.43 175.62 1i72 n ASP 317 N -4.88 2.06 -4.90 5.81 9.92 -1.26 -5.07 116.55 118.24 1i72 n ASP 317 Ca 0.01 -0.11 -0.33 0.00 -0.53 0.00 0.00 54.79 53.84 1i72 n ASP 317 Cb 0.23 0.63 -0.05 0.00 -0.64 0.00 0.00 41.12 41.29 1i72 n ASP 317 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1i72 s TYR 318 N -1.04 3.53 -0.00 1.24 1.51 -1.26 -3.64 117.35 117.69 1i72 s TYR 318 Ca 0.00 0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 56.54 1i72 s TYR 318 Cb 0.00 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1i72 s TYR 318 CO 0.00 0.55 0.07 -0.80 -1.11 0.00 0.00 175.55 174.27 1i72 s ASN 319 N -2.14 5.63 0.08 2.29 0.02 0.05 -0.48 114.94 120.39 1i72 s ASN 319 Ca 0.34 0.13 0.05 0.00 -1.02 0.00 0.00 52.86 52.36 1i72 s ASN 319 Cb -0.13 -1.60 -0.03 0.00 0.02 0.00 0.00 41.25 39.51 1i72 s ASN 319 CO 0.22 0.27 -0.13 0.12 0.02 0.00 0.00 177.10 177.60 1i72 s PHE 320 N -1.19 1.16 -0.04 2.20 5.36 0.13 -1.67 117.98 123.92 1i72 s PHE 320 Ca 0.23 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1i72 s PHE 320 Cb -0.12 -0.65 0.03 0.00 -0.34 0.00 0.00 43.02 41.94 1i72 s PHE 320 CO 0.14 0.05 0.08 0.08 -1.46 0.00 0.00 175.22 174.10 1i72 s VAL 321 N -1.48 -0.10 -0.09 3.12 1.01 -0.65 -1.26 120.40 120.95 1i72 s VAL 321 Ca -0.01 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1i72 s VAL 321 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1i72 s VAL 321 CO 0.02 0.12 -0.13 0.12 0.00 0.00 0.00 175.10 175.23 1i72 s PHE 322 N 1.55 2.77 0.01 5.22 5.36 0.49 -1.25 117.98 132.13 1i72 s PHE 322 Ca -0.04 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 1i72 s PHE 322 Cb -0.12 -1.74 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1i72 s PHE 322 CO -0.04 -0.01 -0.05 0.99 -1.46 0.00 0.00 175.22 174.65 1i72 s THR 323 N -0.18 0.36 -0.04 0.12 2.01 -0.58 -0.52 115.64 116.81 1i72 s THR 323 Ca 0.00 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1i72 s THR 323 Cb -0.13 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1i72 s THR 323 CO 0.03 -0.04 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.20 1i72 s SER 324 N -0.50 2.11 0.15 3.53 0.15 -0.42 -0.27 113.70 118.45 1i72 s SER 324 Ca -0.02 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.34 1i72 s SER 324 Cb -0.04 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.63 1i72 s SER 324 CO -0.00 0.15 -0.12 -0.36 1.20 0.00 0.00 173.24 174.11 1i72 s PHE 325 N 0.06 1.35 -0.19 3.44 0.40 0.61 -0.26 117.98 123.39 1i72 s PHE 325 Ca -0.04 -0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 55.46 1i72 s PHE 325 Cb -0.11 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.79 1i72 s PHE 325 CO 0.02 0.13 0.48 0.00 0.70 0.00 0.00 175.22 176.56 1i72 s ALA 326 N -3.01 -1.21 0.53 5.36 0.00 -0.71 -2.09 121.76 120.63 1i72 s ALA 326 Ca 0.16 1.50 -0.21 0.00 0.00 0.00 0.00 51.96 53.41 1i72 s ALA 326 Cb 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 1i72 s ALA 326 CO 0.02 -0.25 1.19 0.21 0.00 0.00 0.00 175.76 176.93 1i72 s LYS 327 N 0.69 3.35 0.00 0.00 2.20 0.31 -1.09 119.74 125.20 1i72 s LYS 327 Ca -0.04 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 1i72 s LYS 327 Cb -0.05 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1i72 s LYS 327 CO -0.05 -0.90 0.00 1.63 -0.36 0.00 0.00 175.35 175.67