#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m5r s MET 79 N 0.00 3.29 0.24 -1.40 -1.94 -1.26 -4.96 119.30 113.28 3m5r s MET 79 Ca 0.00 1.85 -0.30 0.00 -1.71 0.00 0.00 55.69 55.52 3m5r s MET 79 Cb 0.00 -2.14 -0.11 0.00 2.01 0.00 0.00 34.83 34.60 3m5r s MET 79 CO 0.00 -0.95 1.53 0.99 -0.01 0.00 0.00 175.02 176.58 3m5r s THR 80 N -1.55 2.42 -0.25 2.05 2.01 -1.26 -5.01 115.64 114.04 3m5r s THR 80 Ca 0.72 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.99 3m5r s THR 80 Cb -0.31 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 3m5r s THR 80 CO 0.35 0.05 0.03 -0.63 -0.69 0.00 0.00 174.62 173.72 3m5r s ILE 81 N 0.30 3.82 0.14 1.82 1.01 -1.26 -5.10 121.20 121.92 3m5r s ILE 81 Ca 0.64 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 3m5r s ILE 81 Cb -0.45 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.12 3m5r s ILE 81 CO 0.42 0.29 0.61 0.00 0.00 0.00 0.00 174.94 176.26 3m5r s ALA 82 N 1.52 3.54 -0.25 9.38 0.00 -1.26 -5.07 121.76 129.62 3m5r s ALA 82 Ca 0.05 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3m5r s ALA 82 Cb -0.15 -2.67 0.06 0.00 0.00 0.00 0.00 23.12 20.36 3m5r s ALA 82 CO 0.00 0.39 -0.11 0.45 0.00 0.00 0.00 175.76 176.49 3m5r s SER 83 N -1.42 4.31 -0.26 0.00 0.15 -1.26 -5.09 113.70 110.12 3m5r s SER 83 Ca 0.35 -1.33 -0.04 0.00 0.70 0.00 0.00 55.95 55.64 3m5r s SER 83 Cb -0.18 -1.52 0.02 0.00 -1.71 0.00 0.00 66.02 62.62 3m5r s SER 83 CO 0.20 -0.18 -0.00 -0.69 1.20 0.00 0.00 173.24 173.77 3m5r s VAL 84 N 1.13 3.36 0.62 4.45 1.01 -1.26 -5.09 120.40 124.62 3m5r s VAL 84 Ca -0.08 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 3m5r s VAL 84 Cb -0.19 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3m5r s VAL 84 CO -0.06 0.17 1.19 -2.84 0.00 0.00 0.00 175.10 173.56 3m5r s PRO 85 N 1.41 2.82 0.31 2.72 0.02 -1.26 -5.05 135.00 135.96 3m5r s PRO 85 Ca 0.02 1.76 0.03 0.00 0.02 0.00 0.00 61.00 62.82 3m5r s PRO 85 Cb -0.17 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 3m5r s PRO 85 CO -0.02 -1.31 0.11 0.95 -0.33 0.00 0.00 177.00 176.40 3m5r s THR 86 N -1.76 0.66 -0.28 0.99 -4.23 -1.26 -5.05 115.64 104.71 3m5r s THR 86 Ca 0.75 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.37 3m5r s THR 86 Cb -0.29 -2.60 0.58 0.00 1.34 0.00 0.00 72.50 71.53 3m5r s THR 86 CO 0.36 0.00 1.57 -1.54 -0.54 0.00 0.00 174.62 174.47 3m5r n SER 87 N -0.77 3.50 0.00 3.99 3.41 -1.26 -4.71 113.62 117.78 3m5r n SER 87 Ca -0.01 -3.42 0.14 0.00 -0.26 0.00 0.00 58.87 55.31 3m5r n SER 87 Cb 0.66 -0.65 0.70 0.00 -0.26 0.00 0.00 64.21 64.66 3m5r n SER 87 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3m5r n ARG 88 N -0.76 0.32 -3.19 4.33 1.74 -1.26 -4.65 116.66 113.19 3m5r n ARG 88 Ca 0.34 0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 57.00 3m5r n ARG 88 Cb 1.13 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 31.01 3m5r n ARG 88 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3m5r s TYR 89 N -2.67 3.07 0.03 -1.55 5.04 -1.26 -0.48 117.35 119.54 3m5r s TYR 89 Ca 0.24 -0.60 -0.12 0.00 -2.44 0.00 0.00 57.07 54.15 3m5r s TYR 89 Cb 0.19 -3.50 -0.06 0.00 0.35 0.00 0.00 41.96 38.95 3m5r s TYR 89 CO 0.46 -1.01 0.39 -0.51 -1.34 0.00 0.00 175.55 173.54 3m5r s LEU 90 N 2.49 4.40 -0.11 6.97 1.43 0.11 -4.94 118.68 129.03 3m5r s LEU 90 Ca 0.13 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 54.06 3m5r s LEU 90 Cb -0.20 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.29 3m5r s LEU 90 CO 0.11 0.25 -0.00 -0.94 0.23 0.00 0.00 176.35 176.00 3m5r s SER 91 N -1.44 2.04 0.12 2.29 1.04 -1.26 -1.21 113.70 115.27 3m5r s SER 91 Ca 0.28 -0.32 0.15 0.00 0.48 0.00 0.00 55.95 56.54 3m5r s SER 91 Cb -0.15 -0.55 -0.10 0.00 0.10 0.00 0.00 66.02 65.33 3m5r s SER 91 CO 0.15 -0.21 1.04 0.44 0.98 0.00 0.00 173.24 175.64 3m5r h ASP 92 N 8.28 0.00 -3.04 7.02 3.32 -1.59 -3.47 116.42 126.93 3m5r h ASP 92 Ca -0.20 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.19 3m5r h ASP 92 Cb 1.12 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.57 3m5r h ASP 92 CO 0.30 0.65 -0.56 -0.04 -1.72 0.00 0.00 179.24 177.87 3m5r s MET 93 N -2.88 3.14 0.73 3.56 -1.94 -1.26 -4.89 119.30 115.76 3m5r s MET 93 Ca -0.01 -0.40 -0.14 0.00 -1.71 0.00 0.00 55.69 53.44 3m5r s MET 93 Cb 0.08 -2.92 0.04 0.00 2.01 0.00 0.00 34.83 34.04 3m5r s MET 93 CO 0.79 0.68 1.14 0.95 -0.01 0.00 0.00 175.02 178.58 3m5r s THR 94 N -1.12 2.80 0.45 2.05 -4.23 -1.26 -4.82 115.64 109.51 3m5r s THR 94 Ca 0.20 0.35 0.16 0.00 -1.18 0.00 0.00 61.69 61.22 3m5r s THR 94 Cb -0.12 -2.82 0.35 0.00 1.34 0.00 0.00 72.50 71.25 3m5r s THR 94 CO 0.10 -0.26 1.97 -0.07 -0.54 0.00 0.00 174.62 175.83 3m5r h LEU 95 N -0.49 0.30 0.27 4.79 3.38 -1.98 -0.22 115.31 121.36 3m5r h LEU 95 Ca -0.46 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3m5r h LEU 95 Cb 1.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3m5r h LEU 95 CO 0.51 0.17 -0.13 -0.08 0.09 0.00 0.00 178.44 179.00 3m5r h GLU 96 N 0.33 -0.35 -0.84 1.13 4.22 -1.98 0.43 114.58 117.53 3m5r h GLU 96 Ca 0.29 0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.87 3m5r h GLU 96 Cb 0.70 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 3m5r h GLU 96 CO -0.07 -0.10 0.54 0.93 -2.18 0.00 0.00 179.01 178.13 3m5r h GLU 97 N -0.55 0.70 -0.44 1.92 5.08 -1.69 0.42 114.58 120.02 3m5r h GLU 97 Ca -0.04 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3m5r h GLU 97 Cb 0.41 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3m5r h GLU 97 CO 0.06 0.47 0.03 0.52 -1.00 0.00 0.00 179.01 179.09 3m5r h MET 98 N 0.73 0.70 0.00 2.33 2.86 -0.79 -3.25 114.93 117.50 3m5r h MET 98 Ca 0.40 -0.16 -0.28 0.00 -2.06 0.00 0.00 59.70 57.60 3m5r h MET 98 Cb 0.54 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 3m5r h MET 98 CO -0.16 0.69 -1.57 0.66 1.06 0.00 0.00 176.91 177.59 3m5r h SER 99 N 0.67 0.01 -2.91 1.22 4.64 0.15 -3.48 113.55 113.85 3m5r h SER 99 Ca 0.14 -0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.90 3m5r h SER 99 Cb 0.37 -0.00 0.22 0.00 -0.31 0.00 0.00 62.40 62.67 3m5r h SER 99 CO 0.01 1.01 -0.97 -1.14 -0.87 0.00 0.00 176.83 174.87 3m5r n ARG 100 N -3.11 -0.12 -5.01 4.77 0.63 0.12 -4.98 116.66 108.95 3m5r n ARG 100 Ca -0.14 -0.01 -0.32 0.00 -0.92 0.00 0.00 57.85 56.47 3m5r n ARG 100 Cb 1.03 -1.56 -0.17 0.00 0.45 0.00 0.00 32.46 32.21 3m5r n ARG 100 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3m5r s ASP 101 N -1.61 3.04 0.27 6.15 1.01 -1.26 -5.05 116.67 119.23 3m5r s ASP 101 Ca 0.53 -0.56 0.02 0.00 0.71 0.00 0.00 52.55 53.24 3m5r s ASP 101 Cb -0.23 -1.40 -0.05 0.00 1.01 0.00 0.00 42.92 42.25 3m5r s ASP 101 CO 0.71 0.13 0.09 -1.66 0.21 0.00 0.00 175.17 174.65 3m5r s TRP 102 N 0.52 1.62 -0.01 4.23 1.48 -1.26 -5.13 118.94 120.38 3m5r s TRP 102 Ca -0.15 -1.16 0.00 0.00 -1.06 0.00 0.00 56.10 53.74 3m5r s TRP 102 Cb -0.17 -0.97 0.00 0.00 -1.16 0.00 0.00 33.47 31.18 3m5r s TRP 102 CO 0.05 -0.29 -0.01 -0.59 -4.06 0.00 0.00 176.95 172.05 3m5r s PHE 103 N -3.66 0.14 0.11 1.66 -0.12 -1.26 -5.13 117.98 109.72 3m5r s PHE 103 Ca 0.37 -0.01 -0.30 0.00 -0.05 0.00 0.00 56.93 56.94 3m5r s PHE 103 Cb 0.08 -0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.27 3m5r s PHE 103 CO 0.14 -0.02 1.12 -1.64 -0.05 0.00 0.00 175.22 174.77 3m5r s MET 104 N 0.16 4.53 0.10 1.99 -1.94 -1.26 -4.93 119.30 117.95 3m5r s MET 104 Ca -0.01 1.69 -0.33 0.00 -1.71 0.00 0.00 55.69 55.33 3m5r s MET 104 Cb -0.03 -3.33 -0.13 0.00 2.01 0.00 0.00 34.83 33.35 3m5r s MET 104 CO -0.00 -0.06 1.57 -0.07 -0.01 0.00 0.00 175.02 176.45 3m5r h LEU 105 N 5.95 -1.36 -7.28 -0.03 3.38 -1.97 -3.37 115.31 110.63 3m5r h LEU 105 Ca -0.43 0.14 -0.63 0.00 0.09 0.00 0.00 57.88 57.05 3m5r h LEU 105 Cb 1.21 0.49 -0.41 0.00 0.09 0.00 0.00 40.66 42.04 3m5r h LEU 105 CO 0.76 -0.55 -0.62 -0.32 0.09 0.00 0.00 178.44 177.80 3m5r s MET 106 N -5.87 2.09 0.30 1.13 0.00 -1.26 -5.04 119.30 110.66 3m5r s MET 106 Ca -0.17 -2.81 -0.27 0.00 0.00 0.00 0.00 55.69 52.44 3m5r s MET 106 Cb 0.06 -3.32 -0.10 0.00 0.00 0.00 0.00 34.83 31.48 3m5r s MET 106 CO 0.62 -1.16 0.94 -1.25 0.00 0.00 0.00 175.02 174.17 3m5r s PRO 107 N -0.60 4.64 -0.03 4.11 0.04 -1.26 0.57 135.00 142.47 3m5r s PRO 107 Ca 0.19 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 3m5r s PRO 107 Cb -0.20 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.45 3m5r s PRO 107 CO -0.05 0.33 0.08 0.50 0.04 0.00 0.00 177.00 177.90 3m5r s ARG 108 N -1.86 0.06 -0.06 4.56 6.06 -1.06 -4.84 118.95 121.82 3m5r s ARG 108 Ca 0.48 0.17 -0.02 0.00 -2.50 0.00 0.00 55.73 53.85 3m5r s ARG 108 Cb -0.20 -0.06 0.04 0.00 0.06 0.00 0.00 34.95 34.79 3m5r s ARG 108 CO 0.26 -0.07 0.12 -1.14 -2.50 0.00 0.00 175.30 171.96 3m5r s GLN 109 N 0.44 0.04 0.03 5.12 0.74 -1.26 -0.90 119.66 123.88 3m5r s GLN 109 Ca -0.03 0.36 -0.06 0.00 0.05 0.00 0.00 55.36 55.67 3m5r s GLN 109 Cb -0.05 -0.23 -0.01 0.00 1.10 0.00 0.00 33.01 33.83 3m5r s GLN 109 CO -0.02 -0.20 0.12 -1.59 -0.55 0.00 0.00 175.29 173.06 3m5r s LYS 110 N 1.39 0.56 -0.23 1.67 -2.85 -0.09 -5.00 119.74 115.20 3m5r s LYS 110 Ca -0.06 -0.62 -0.15 0.00 -1.00 0.00 0.00 55.97 54.14 3m5r s LYS 110 Cb -0.12 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 3m5r s LYS 110 CO -0.05 -0.14 0.35 0.42 0.10 0.00 0.00 175.35 176.03 3m5r s ILE 111 N -2.19 5.22 -0.36 3.79 1.01 -1.26 -0.53 121.20 126.89 3m5r s ILE 111 Ca -0.08 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.16 3m5r s ILE 111 Cb -0.03 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.85 3m5r s ILE 111 CO -0.02 0.24 0.09 -0.63 0.00 0.00 0.00 174.94 174.62 3m5r s ILE 112 N 1.46 2.66 0.00 2.92 -1.09 0.15 -4.98 121.20 122.33 3m5r s ILE 112 Ca 0.16 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.42 3m5r s ILE 112 Cb -0.15 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 3m5r s ILE 112 CO 0.08 -0.58 0.00 0.61 -1.23 0.00 0.00 174.94 173.82 3m5r n GLY 113 N 4.40 3.56 0.65 6.18 0.00 -1.26 -1.65 105.19 117.06 3m5r n GLY 113 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3m5r n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m5r n PRO 114 N 13.99 1.84 -4.33 1.61 -0.04 -1.26 -4.89 135.00 141.92 3m5r n PRO 114 Ca 0.00 -0.93 -0.25 0.00 -0.04 0.00 0.00 63.50 62.27 3m5r n PRO 114 Cb 0.00 -1.41 -0.12 0.00 -0.04 0.00 0.00 33.50 31.93 3m5r n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3m5r s LEU 115 N -0.96 2.33 -0.20 1.53 1.43 -0.66 -2.96 118.68 119.19 3m5r s LEU 115 Ca 0.17 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 3m5r s LEU 115 Cb 0.10 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 3m5r s LEU 115 CO 0.09 0.09 0.03 0.00 0.23 0.00 0.00 176.35 176.78 3m5r s VAL 117 N 0.97 3.48 -0.04 0.00 1.01 0.31 -1.47 120.40 124.66 3m5r s VAL 117 Ca 0.02 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3m5r s VAL 117 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3m5r s VAL 117 CO 0.02 0.48 -0.23 -0.13 0.00 0.00 0.00 175.10 175.24 3m5r s ARG 118 N 0.70 2.34 -0.14 2.72 0.52 0.51 -0.91 118.95 124.69 3m5r s ARG 118 Ca -0.03 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.25 3m5r s ARG 118 Cb -0.15 -2.16 0.06 0.00 0.52 0.00 0.00 34.95 33.22 3m5r s ARG 118 CO 0.02 0.52 0.30 -1.17 0.02 0.00 0.00 175.30 174.99 3m5r s LEU 119 N -0.50 -0.08 -0.19 2.53 2.96 -0.07 -1.12 118.68 122.21 3m5r s LEU 119 Ca 0.06 0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 3m5r s LEU 119 Cb -0.11 0.89 -0.03 0.00 0.50 0.00 0.00 46.19 47.44 3m5r s LEU 119 CO 0.01 -0.21 1.60 -0.62 -1.32 0.00 0.00 176.35 175.81 3m5r s ASP 120 N 1.90 6.47 0.00 3.68 -1.08 -0.08 -2.55 116.67 125.01 3m5r s ASP 120 Ca -0.04 1.73 0.19 0.00 -0.52 0.00 0.00 52.55 53.91 3m5r s ASP 120 Cb -0.11 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.70 3m5r s ASP 120 CO -0.10 -1.16 1.59 0.00 0.52 0.00 0.00 175.17 176.02 3m5r n GLN 121 N 7.49 0.14 0.04 4.34 1.13 0.19 -2.93 117.38 127.79 3m5r n GLN 121 Ca 0.18 0.14 -0.04 0.00 -1.94 0.00 0.00 57.00 55.34 3m5r n GLN 121 Cb 0.45 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.20 3m5r n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3m5r h ALA 122 N 2.77 0.62 -2.07 -1.58 0.00 -1.90 -3.46 119.26 113.65 3m5r h ALA 122 Ca 0.00 -1.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.33 3m5r h ALA 122 Cb 0.25 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3m5r h ALA 122 CO 0.00 1.18 0.99 0.42 0.00 0.00 0.00 179.25 181.84 3m5r s ILE 123 N -2.77 4.06 0.04 0.00 -1.09 -1.15 -5.00 121.20 115.30 3m5r s ILE 123 Ca -0.01 1.23 -0.00 0.00 -2.23 0.00 0.00 60.65 59.64 3m5r s ILE 123 Cb 0.09 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 3m5r s ILE 123 CO 0.81 -0.28 -0.04 0.00 -1.23 0.00 0.00 174.94 174.20 3m5r s MET 124 N 4.01 0.52 -1.12 2.79 0.23 -1.26 -4.82 119.30 119.65 3m5r s MET 124 Ca 0.60 -0.97 -0.04 0.00 -1.03 0.00 0.00 55.69 54.25 3m5r s MET 124 Cb -0.22 0.09 0.03 0.00 -1.53 0.00 0.00 34.83 33.20 3m5r s MET 124 CO 0.22 -0.06 0.22 0.39 -2.03 0.00 0.00 175.02 173.75 3m5r n GLU 125 N 0.75 -2.85 -4.13 3.16 1.02 -0.74 -4.89 120.64 112.96 3m5r n GLU 125 Ca -0.18 0.54 -0.23 0.00 -0.02 0.00 0.00 57.16 57.27 3m5r n GLU 125 Cb 0.58 -5.19 -0.05 0.00 -0.02 0.00 0.00 31.44 26.76 3m5r n GLU 125 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3m5r s LYS 126 N -5.44 2.86 -0.21 3.49 1.02 -1.26 -4.89 119.74 115.31 3m5r s LYS 126 Ca 0.17 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 3m5r s LYS 126 Cb -0.09 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3m5r s LYS 126 CO 0.21 0.41 0.92 -0.80 -0.92 0.00 0.00 175.35 175.17 3m5r s ASN 127 N -3.68 6.99 -0.07 2.83 0.01 -1.26 -0.19 114.94 119.57 3m5r s ASN 127 Ca 0.32 1.23 0.04 0.00 -0.71 0.00 0.00 52.86 53.75 3m5r s ASN 127 Cb -0.08 -2.49 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 3m5r s ASN 127 CO 0.24 -0.54 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.45 3m5r s ILE 128 N 2.76 1.74 -0.08 0.60 -1.09 0.19 -3.76 121.20 121.55 3m5r s ILE 128 Ca 0.40 -0.87 0.02 0.00 -2.23 0.00 0.00 60.65 57.97 3m5r s ILE 128 Cb -0.16 -1.49 -0.02 0.00 -1.58 0.00 0.00 42.46 39.21 3m5r s ILE 128 CO 0.09 0.49 -0.13 0.54 -1.23 0.00 0.00 174.94 174.69 3m5r s VAL 129 N 0.14 3.09 -0.21 2.92 0.11 -0.72 -0.90 120.40 124.84 3m5r s VAL 129 Ca -0.09 -0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 58.14 3m5r s VAL 129 Cb -0.14 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.41 3m5r s VAL 129 CO 0.05 0.56 0.29 -0.76 -3.33 0.00 0.00 175.10 171.91 3m5r s LEU 130 N -0.28 4.15 0.05 2.54 1.43 0.02 -0.98 118.68 125.62 3m5r s LEU 130 Ca 0.02 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 3m5r s LEU 130 Cb -0.13 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 3m5r s LEU 130 CO 0.03 0.00 -0.23 -0.54 0.23 0.00 0.00 176.35 175.83 3m5r s LYS 131 N 1.10 1.57 0.04 1.70 1.02 -0.45 -1.54 119.74 123.18 3m5r s LYS 131 Ca 0.14 -1.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 3m5r s LYS 131 Cb -0.14 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 3m5r s LYS 131 CO 0.06 0.44 0.01 0.00 -0.92 0.00 0.00 175.35 174.94 3m5r s ALA 132 N -0.82 0.21 -0.17 5.17 0.00 -1.26 -0.79 121.76 124.11 3m5r s ALA 132 Ca 0.10 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3m5r s ALA 132 Cb -0.09 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3m5r s ALA 132 CO 0.02 -0.29 -0.20 -0.80 0.00 0.00 0.00 175.76 174.49 3m5r s ASN 133 N -2.21 3.11 0.13 0.00 -0.87 0.19 -1.34 114.94 113.95 3m5r s ASN 133 Ca -0.04 -0.64 -0.23 0.00 -1.57 0.00 0.00 52.86 50.38 3m5r s ASN 133 Cb -0.01 -1.47 0.06 0.00 -0.02 0.00 0.00 41.25 39.82 3m5r s ASN 133 CO -0.05 0.01 0.57 0.72 -2.57 0.00 0.00 177.10 175.78 3m5r s PHE 134 N 1.24 -0.50 0.27 2.20 -0.71 -0.35 -0.98 117.98 119.15 3m5r s PHE 134 Ca 0.04 0.36 -0.01 0.00 -1.04 0.00 0.00 56.93 56.28 3m5r s PHE 134 Cb -0.13 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 3m5r s PHE 134 CO -0.12 -0.79 0.48 -1.54 -1.34 0.00 0.00 175.22 171.91 3m5r s SER 135 N -2.54 6.37 0.25 1.98 1.04 -0.31 0.05 113.70 120.54 3m5r s SER 135 Ca -0.00 0.47 0.10 0.00 0.48 0.00 0.00 55.95 57.00 3m5r s SER 135 Cb -0.00 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 64.02 3m5r s SER 135 CO -0.10 -0.16 -0.16 0.68 0.98 0.00 0.00 173.24 174.48 3m5r s VAL 136 N -2.07 2.11 -0.09 5.02 -7.23 0.37 0.03 120.40 118.55 3m5r s VAL 136 Ca 0.40 -2.30 -0.31 0.00 -1.81 0.00 0.00 61.98 57.96 3m5r s VAL 136 Cb -0.10 -2.23 0.09 0.00 0.56 0.00 0.00 36.38 34.69 3m5r s VAL 136 CO 0.31 -0.46 0.78 -0.51 -0.31 0.00 0.00 175.10 174.92 3m5r s ILE 137 N -2.74 0.00 -1.24 -0.62 2.07 0.00 -4.71 121.20 113.97 3m5r s ILE 137 Ca 0.27 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.46 3m5r s ILE 137 Cb -0.02 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.60 3m5r s ILE 137 CO 0.12 0.00 0.31 0.49 -1.91 0.00 0.00 174.94 173.94 3m5r n PHE 138 N 0.86 -1.66 -1.63 3.50 3.72 -1.26 -1.57 117.46 119.43 3m5r n PHE 138 Ca -0.16 0.28 -0.15 0.00 -0.05 0.00 0.00 57.45 57.38 3m5r n PHE 138 Cb 0.57 -3.11 -0.05 0.00 -0.94 0.00 0.00 39.48 35.96 3m5r n PHE 138 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3m5r n ASN 139 N -2.13 -4.69 -4.19 4.37 4.05 -1.26 -4.99 115.26 106.43 3m5r n ASN 139 Ca -0.08 0.27 -0.12 0.00 0.45 0.00 0.00 54.58 55.10 3m5r n ASN 139 Cb 0.58 -3.56 -0.10 0.00 1.23 0.00 0.00 39.78 37.93 3m5r n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3m5r s ARG 140 N -3.60 0.92 0.30 1.20 1.70 -0.61 -4.85 118.95 114.01 3m5r s ARG 140 Ca 0.00 -1.40 -0.29 0.00 -0.47 0.00 0.00 55.73 53.57 3m5r s ARG 140 Cb 0.00 -0.25 -0.13 0.00 -0.57 0.00 0.00 34.95 34.00 3m5r s ARG 140 CO 0.00 -0.04 1.36 -0.11 -1.08 0.00 0.00 175.30 175.43 3m5r n LEU 141 N -0.11 3.45 -0.07 -1.89 0.00 -0.55 -0.82 117.00 117.02 3m5r n LEU 141 Ca -0.10 1.18 -0.07 0.00 0.00 0.00 0.00 56.01 57.01 3m5r n LEU 141 Cb 0.61 -1.47 -0.02 0.00 0.00 0.00 0.00 43.42 42.54 3m5r n LEU 141 CO 0.31 -0.43 -0.51 1.21 0.00 0.00 0.00 177.39 177.97 3m5r n GLU 142 N 1.29 0.40 -3.87 1.96 2.13 0.10 -4.05 120.64 118.60 3m5r n GLU 142 Ca 0.08 0.16 -0.15 0.00 0.66 0.00 0.00 57.16 57.90 3m5r n GLU 142 Cb 0.34 -1.20 -0.16 0.00 0.27 0.00 0.00 31.44 30.70 3m5r n GLU 142 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3m5r s THR 143 N -2.46 0.07 -0.10 6.31 2.01 -1.15 -4.45 115.64 115.87 3m5r s THR 143 Ca -0.22 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 3m5r s THR 143 Cb 0.03 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 3m5r s THR 143 CO 0.32 0.09 0.70 -0.22 -0.69 0.00 0.00 174.62 174.83 3m5r s LEU 144 N 0.77 4.27 -0.18 4.42 2.96 -1.26 -1.17 118.68 128.50 3m5r s LEU 144 Ca -0.07 1.12 -0.20 0.00 -0.22 0.00 0.00 54.13 54.76 3m5r s LEU 144 Cb -0.10 -3.06 -0.17 0.00 0.50 0.00 0.00 46.19 43.35 3m5r s LEU 144 CO -0.02 -0.18 0.26 0.40 -1.32 0.00 0.00 176.35 175.49 3m5r h ILE 145 N 4.88 0.91 -1.84 6.68 5.03 -1.44 -3.43 117.51 128.31 3m5r h ILE 145 Ca -0.38 -1.98 0.00 0.00 -0.12 0.00 0.00 64.86 62.39 3m5r h ILE 145 Cb 1.18 2.01 -0.23 0.00 -3.03 0.00 0.00 36.82 36.75 3m5r h ILE 145 CO 0.77 0.31 0.27 -0.22 -0.68 0.00 0.00 178.15 178.59 3m5r s LEU 146 N -8.03 -0.62 -0.03 1.44 2.96 -1.05 -4.43 118.68 108.92 3m5r s LEU 146 Ca -0.23 1.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.90 3m5r s LEU 146 Cb 0.03 2.23 -0.01 0.00 0.50 0.00 0.00 46.19 48.95 3m5r s LEU 146 CO 0.52 -0.23 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.92 3m5r s LEU 147 N 0.23 1.98 0.03 -0.68 0.20 -0.65 -0.64 118.68 119.16 3m5r s LEU 147 Ca 0.01 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.49 3m5r s LEU 147 Cb -0.05 -1.01 -0.02 0.00 -0.43 0.00 0.00 46.19 44.69 3m5r s LEU 147 CO -0.01 0.19 -0.09 -0.13 -0.29 0.00 0.00 176.35 176.02 3m5r s ARG 148 N -0.17 0.63 -0.16 1.98 0.52 0.03 -0.59 118.95 121.19 3m5r s ARG 148 Ca 0.01 -0.64 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3m5r s ARG 148 Cb -0.10 -0.52 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 3m5r s ARG 148 CO 0.01 0.12 0.08 0.00 0.02 0.00 0.00 175.30 175.53 3m5r s ALA 149 N -0.95 3.52 -0.01 2.13 0.00 -0.46 -1.34 121.76 124.66 3m5r s ALA 149 Ca -0.04 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.26 3m5r s ALA 149 Cb -0.08 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 3m5r s ALA 149 CO 0.01 0.32 -0.18 -0.06 0.00 0.00 0.00 175.76 175.84 3m5r s PHE 150 N -0.08 1.65 1.04 0.00 0.40 -0.15 -0.47 117.98 120.38 3m5r s PHE 150 Ca 0.07 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.92 3m5r s PHE 150 Cb -0.12 -1.06 0.22 0.00 0.51 0.00 0.00 43.02 42.57 3m5r s PHE 150 CO 0.01 -0.02 1.19 0.95 0.70 0.00 0.00 175.22 178.05 3m5r s THR 151 N -0.46 1.84 0.36 0.64 -4.23 0.40 -1.75 115.64 112.44 3m5r s THR 151 Ca 0.07 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.89 3m5r s THR 151 Cb -0.07 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.36 3m5r s THR 151 CO -0.01 0.00 2.08 -0.33 -0.54 0.00 0.00 174.62 175.82 3m5r h GLU 152 N -1.98 0.00 0.00 3.99 5.08 -1.90 -1.01 114.58 118.76 3m5r h GLU 152 Ca -0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3m5r h GLU 152 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3m5r h GLU 152 CO 0.42 0.09 -0.10 0.93 -1.00 0.00 0.00 179.01 179.35 3m5r h GLU 153 N 0.00 0.00 0.00 2.33 3.07 -1.94 -3.46 114.58 114.58 3m5r h GLU 153 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3m5r h GLU 153 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3m5r h GLU 153 CO 0.01 0.10 0.00 0.41 -1.40 0.00 0.00 179.01 178.13 3m5r n GLY 154 N 0.51 0.87 3.78 -3.84 0.00 -0.38 -5.08 105.19 101.06 3m5r n GLY 154 Ca 0.02 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 3m5r n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m5r s ALA 155 N -2.00 3.41 0.01 4.61 0.00 -1.26 -4.81 121.76 121.72 3m5r s ALA 155 Ca 0.00 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 3m5r s ALA 155 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3m5r s ALA 155 CO 0.00 0.29 0.80 0.42 0.00 0.00 0.00 175.76 177.26 3m5r s ILE 156 N -1.29 4.84 0.00 0.00 1.01 -1.26 -0.46 121.20 124.04 3m5r s ILE 156 Ca 0.39 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.72 3m5r s ILE 156 Cb -0.21 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.12 3m5r s ILE 156 CO 0.25 0.29 0.09 1.33 0.00 0.00 0.00 174.94 176.90 3m5r n VAL 157 N 3.31 0.00 -3.71 2.92 0.24 0.39 -4.91 118.33 116.57 3m5r n VAL 157 Ca -0.00 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.80 3m5r n VAL 157 Cb 0.51 1.01 -0.01 0.00 -1.47 0.00 0.00 33.84 33.88 3m5r n VAL 157 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3m5r s GLY 158 N -0.75 -0.28 -0.15 7.63 0.00 -1.23 -0.91 107.32 111.65 3m5r s GLY 158 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 3m5r s GLY 158 CO 0.00 0.06 0.93 1.85 0.00 0.00 0.00 173.10 175.94 3m5r s GLU 159 N -3.22 0.69 -0.10 2.90 2.12 -0.27 -1.35 118.70 119.46 3m5r s GLU 159 Ca 0.11 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.66 3m5r s GLU 159 Cb -0.01 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.72 3m5r s GLU 159 CO 0.00 -0.21 -0.11 0.42 -0.54 0.00 0.00 175.26 174.83 3m5r s ILE 160 N -1.01 1.18 0.08 -3.70 1.01 0.24 -0.37 121.20 118.64 3m5r s ILE 160 Ca -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3m5r s ILE 160 Cb -0.01 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 3m5r s ILE 160 CO 0.03 0.38 -0.05 -0.94 0.00 0.00 0.00 174.94 174.35 3m5r s SER 161 N 1.17 0.90 0.58 3.58 1.04 -0.54 -1.63 113.70 118.80 3m5r s SER 161 Ca -0.04 -0.97 -0.19 0.00 0.48 0.00 0.00 55.95 55.22 3m5r s SER 161 Cb -0.14 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 3m5r s SER 161 CO -0.03 -0.49 1.19 -2.84 0.98 0.00 0.00 173.24 172.05 3m5r s PRO 162 N -3.71 3.07 0.46 4.02 0.02 -1.26 -1.11 135.00 136.49 3m5r s PRO 162 Ca 0.09 1.77 -0.23 0.00 0.02 0.00 0.00 61.00 62.65 3m5r s PRO 162 Cb 0.05 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 3m5r s PRO 162 CO -0.06 -1.11 1.20 -0.51 -0.33 0.00 0.00 177.00 176.19 3m5r s LEU 163 N -4.00 4.02 0.56 -5.54 1.43 -1.15 -4.74 118.68 109.25 3m5r s LEU 163 Ca 0.76 2.40 0.26 0.00 -1.03 0.00 0.00 54.13 56.52 3m5r s LEU 163 Cb -0.29 -4.20 1.48 0.00 0.03 0.00 0.00 46.19 43.22 3m5r s LEU 163 CO 0.31 -0.98 2.04 1.55 0.23 0.00 0.00 176.35 179.50 3m5r h PRO 164 N 2.07 0.00 -0.91 1.29 0.13 -1.94 1.87 132.00 134.51 3m5r h PRO 164 Ca -0.49 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.89 3m5r h PRO 164 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 3m5r h PRO 164 CO 0.60 0.00 0.64 0.77 -0.23 0.00 0.00 178.00 179.79 3m5r h SER 165 N 0.00 0.10 -5.82 1.44 0.02 -1.98 -3.46 113.55 103.85 3m5r h SER 165 Ca 0.16 0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.81 3m5r h SER 165 Cb 0.73 -0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.39 3m5r h SER 165 CO -0.00 0.03 -0.83 0.18 -1.14 0.00 0.00 176.83 175.07 3m5r n LEU 166 N -4.33 -4.42 0.00 5.07 4.77 0.63 -4.89 117.00 113.84 3m5r n LEU 166 Ca 0.19 -0.80 0.15 0.00 -0.03 0.00 0.00 56.01 55.53 3m5r n LEU 166 Cb 0.92 -2.82 0.86 0.00 -2.33 0.00 0.00 43.42 40.05 3m5r n LEU 166 CO 0.37 0.17 1.07 -0.81 -1.33 0.00 0.00 177.39 176.85 3m5r n PRO 167 N -3.51 0.74 0.00 3.23 -0.04 -1.26 -5.01 135.00 129.16 3m5r n PRO 167 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3m5r n PRO 167 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3m5r n PRO 167 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m5r n GLY 168 N 1.10 -2.72 3.64 0.55 0.00 -1.26 -5.10 105.19 101.40 3m5r n GLY 168 Ca 0.20 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 3m5r n GLY 168 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3m5r s HIS 169 N -2.47 0.01 0.39 1.61 -3.43 -1.26 -4.84 115.29 105.29 3m5r s HIS 169 Ca 0.00 -0.39 0.04 0.00 -0.80 0.00 0.00 55.06 53.91 3m5r s HIS 169 Cb 0.00 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 3m5r s HIS 169 CO 0.00 -1.03 0.07 0.95 -2.00 0.00 0.00 174.74 172.73 3m5r s THR 170 N -3.93 1.05 0.25 -5.38 -4.23 -1.26 -4.80 115.64 97.34 3m5r s THR 170 Ca 0.14 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3m5r s THR 170 Cb -0.02 -2.56 0.22 0.00 1.34 0.00 0.00 72.50 71.48 3m5r s THR 170 CO 0.04 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 176.05 3m5r h TYR 171 N 1.85 0.46 -0.95 3.99 3.20 -1.78 -0.74 116.97 123.00 3m5r h TYR 171 Ca -0.40 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.52 3m5r h TYR 171 Cb 1.27 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.40 3m5r h TYR 171 CO 1.07 0.02 0.63 0.93 -1.64 0.00 0.00 178.16 179.16 3m5r h GLU 172 N 0.39 1.25 -0.33 1.82 4.39 -1.96 -0.23 114.58 119.91 3m5r h GLU 172 Ca 0.42 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.02 3m5r h GLU 172 Cb 0.68 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3m5r h GLU 172 CO -0.44 0.82 0.11 -0.44 -1.16 0.00 0.00 179.01 177.91 3m5r h ASP 173 N 1.28 0.48 -0.21 1.42 3.32 -1.56 -1.59 116.42 119.57 3m5r h ASP 173 Ca 0.35 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3m5r h ASP 173 Cb -0.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3m5r h ASP 173 CO -0.08 0.54 0.05 0.58 -1.72 0.00 0.00 179.24 178.61 3m5r h VAL 174 N 0.39 1.21 -0.87 -1.35 2.07 -0.97 -1.98 116.25 114.75 3m5r h VAL 174 Ca 0.11 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 67.05 3m5r h VAL 174 Cb 0.23 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3m5r h VAL 174 CO -0.01 0.21 0.51 0.50 0.02 0.00 0.00 177.57 178.80 3m5r h LYS 175 N 0.15 0.82 -0.73 1.57 3.64 -1.01 0.23 116.57 121.23 3m5r h LYS 175 Ca 0.06 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3m5r h LYS 175 Cb 0.28 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3m5r h LYS 175 CO 0.00 0.54 0.31 -0.91 -2.27 0.00 0.00 179.45 177.12 3m5r h ASN 176 N 0.84 0.98 0.42 4.20 2.35 -0.91 -2.09 115.58 121.38 3m5r h ASN 176 Ca 0.42 -0.14 -0.21 0.00 -0.55 0.00 0.00 56.30 55.83 3m5r h ASN 176 Cb 0.39 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3m5r h ASN 176 CO -0.25 0.86 -0.87 0.00 -1.65 0.00 0.00 177.43 175.52 3m5r h ALA 177 N 1.28 0.47 -0.58 -0.83 0.00 -0.47 -1.98 119.26 117.15 3m5r h ALA 177 Ca 0.25 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3m5r h ALA 177 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3m5r h ALA 177 CO -0.02 0.84 0.02 0.28 0.00 0.00 0.00 179.25 180.37 3m5r h VAL 178 N 0.19 1.26 -0.79 0.00 2.07 -0.93 -0.08 116.25 117.97 3m5r h VAL 178 Ca -0.06 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.42 3m5r h VAL 178 Cb 1.49 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3m5r h VAL 178 CO 0.14 0.40 0.47 1.23 0.02 0.00 0.00 177.57 179.84 3m5r h GLY 179 N 0.91 1.20 0.69 2.17 0.00 -1.23 0.92 103.07 107.74 3m5r h GLY 179 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3m5r h GLY 179 CO 0.03 0.20 -0.08 -2.08 0.00 0.00 0.00 176.54 174.61 3m5r h VAL 180 N 0.85 0.95 -0.19 4.60 2.07 -0.87 -0.81 116.25 122.85 3m5r h VAL 180 Ca 0.36 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3m5r h VAL 180 Cb 0.22 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3m5r h VAL 180 CO -0.19 0.15 -0.01 0.25 0.02 0.00 0.00 177.57 177.78 3m5r h LEU 181 N -0.54 -0.10 -1.29 2.57 5.85 -0.75 -0.23 115.31 120.83 3m5r h LEU 181 Ca -0.02 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3m5r h LEU 181 Cb 0.41 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3m5r h LEU 181 CO 0.04 -0.02 0.34 0.40 -0.34 0.00 0.00 178.44 178.85 3m5r h ILE 182 N 0.04 1.18 -0.24 4.05 2.04 -0.83 -0.50 117.51 123.26 3m5r h ILE 182 Ca 0.09 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3m5r h ILE 182 Cb 0.12 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3m5r h ILE 182 CO -0.16 0.20 0.07 1.23 0.00 0.00 0.00 178.15 179.48 3m5r h GLY 183 N 0.89 0.28 1.33 5.37 0.00 -0.02 -0.56 103.07 110.36 3m5r h GLY 183 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 3m5r h GLY 183 CO -0.04 0.01 -0.03 -1.33 0.00 0.00 0.00 176.54 175.16 3m5r h GLY 184 N 0.17 0.87 1.00 4.60 0.00 -0.11 -1.51 103.07 108.09 3m5r h GLY 184 Ca 0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3m5r h GLY 184 CO -0.12 0.56 0.22 1.41 0.00 0.00 0.00 176.54 178.60 3m5r h LEU 185 N 0.75 0.83 -0.33 3.11 3.38 -0.74 -2.98 115.31 119.34 3m5r h LEU 185 Ca 0.14 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3m5r h LEU 185 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3m5r h LEU 185 CO 0.03 0.80 -0.33 -0.33 0.09 0.00 0.00 178.44 178.69 3m5r h GLU 186 N 0.83 0.00 -0.77 1.13 5.08 -0.88 -2.10 114.58 117.86 3m5r h GLU 186 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3m5r h GLU 186 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3m5r h GLU 186 CO -0.01 0.33 0.46 2.35 -1.00 0.00 0.00 179.01 181.14 3m5r h TRP 187 N 0.00 1.00 -0.27 4.33 2.91 -1.17 -1.39 115.95 121.36 3m5r h TRP 187 Ca -0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 3m5r h TRP 187 Cb 1.13 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 29.43 3m5r h TRP 187 CO 0.00 0.67 0.03 0.09 -1.03 0.00 0.00 178.44 178.20 3m5r n ASN 188 N -4.38 3.09 -1.65 2.65 3.02 -0.87 -4.90 115.26 112.22 3m5r n ASN 188 Ca 0.08 -2.44 -0.18 0.00 -0.03 0.00 0.00 54.58 52.02 3m5r n ASN 188 Cb 0.06 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.60 3m5r n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m5r n GLY 189 N 0.22 0.80 3.83 7.41 0.00 -0.52 -1.79 105.19 115.13 3m5r n GLY 189 Ca 0.14 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3m5r n GLY 189 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m5r s ASN 190 N -2.54 6.92 -0.29 1.61 0.01 -0.85 -3.22 114.94 116.59 3m5r s ASN 190 Ca 0.00 1.43 -0.17 0.00 -0.71 0.00 0.00 52.86 53.42 3m5r s ASN 190 Cb 0.00 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 3m5r s ASN 190 CO 0.00 -0.16 0.45 -0.89 -1.51 0.00 0.00 177.10 174.99 3m5r s THR 191 N -1.87 5.10 -0.18 1.60 2.01 0.74 -4.44 115.64 118.60 3m5r s THR 191 Ca 0.52 0.60 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 3m5r s THR 191 Cb -0.12 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3m5r s THR 191 CO 0.18 0.04 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.44 3m5r s VAL 192 N 2.22 3.95 0.18 3.82 1.01 -1.26 0.56 120.40 130.88 3m5r s VAL 192 Ca 0.18 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.94 3m5r s VAL 192 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3m5r s VAL 192 CO 0.10 0.46 -0.24 0.00 0.00 0.00 0.00 175.10 175.43 3m5r s ARG 193 N 0.63 1.53 0.23 2.72 1.70 -0.08 -4.98 118.95 120.71 3m5r s ARG 193 Ca -0.01 -1.47 0.09 0.00 -0.47 0.00 0.00 55.73 53.87 3m5r s ARG 193 Cb -0.14 -1.88 -0.04 0.00 -0.57 0.00 0.00 34.95 32.31 3m5r s ARG 193 CO 0.02 0.41 0.00 0.14 -1.08 0.00 0.00 175.30 174.80 3m5r s VAL 194 N -1.54 3.58 0.94 4.99 -7.23 -1.26 -0.80 120.40 119.09 3m5r s VAL 194 Ca 0.20 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 3m5r s VAL 194 Cb -0.08 -2.86 0.16 0.00 0.56 0.00 0.00 36.38 34.15 3m5r s VAL 194 CO 0.09 -0.26 1.10 -0.94 -0.31 0.00 0.00 175.10 174.78 3m5r s SER 195 N -3.36 2.91 0.19 4.85 1.04 -0.59 -4.77 113.70 113.97 3m5r s SER 195 Ca 0.29 1.76 -0.11 0.00 0.48 0.00 0.00 55.95 58.37 3m5r s SER 195 Cb -0.08 -2.37 0.18 0.00 0.10 0.00 0.00 66.02 63.85 3m5r s SER 195 CO 0.19 -3.04 1.79 -0.33 0.98 0.00 0.00 173.24 172.84 3m5r h GLU 196 N -1.82 0.56 -0.38 4.02 4.39 -1.99 -1.72 114.58 117.63 3m5r h GLU 196 Ca -0.49 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.23 3m5r h GLU 196 Cb 1.28 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 3m5r h GLU 196 CO 0.49 0.37 0.10 -0.91 -1.16 0.00 0.00 179.01 177.90 3m5r h ASN 197 N 0.58 0.07 -0.74 1.42 2.35 -1.98 -0.62 115.58 116.66 3m5r h ASN 197 Ca 0.25 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 3m5r h ASN 197 Cb 0.15 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3m5r h ASN 197 CO -0.17 0.07 0.38 0.40 -1.65 0.00 0.00 177.43 176.46 3m5r h ILE 198 N 0.24 1.23 -0.35 2.81 2.04 -1.81 -0.26 117.51 121.41 3m5r h ILE 198 Ca 0.18 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3m5r h ILE 198 Cb 0.19 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3m5r h ILE 198 CO -0.21 0.27 0.18 1.56 0.00 0.00 0.00 178.15 179.95 3m5r h GLN 199 N 1.06 0.50 -0.22 2.37 4.20 -0.71 0.29 115.11 122.60 3m5r h GLN 199 Ca 0.26 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 3m5r h GLN 199 Cb 0.08 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3m5r h GLN 199 CO -0.04 0.43 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.32 3m5r h ARG 200 N 0.44 0.49 0.00 1.46 9.65 -0.74 -3.38 114.38 122.29 3m5r h ARG 200 Ca 0.12 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3m5r h ARG 200 Cb 0.08 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3m5r h ARG 200 CO -0.02 0.79 -1.21 1.19 2.80 0.00 0.00 179.97 183.51 3m5r n PHE 201 N -4.48 0.00 0.00 2.20 3.72 -0.14 -4.83 117.46 113.92 3m5r n PHE 201 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3m5r n PHE 201 Cb 0.36 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3m5r n PHE 201 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m5r n ALA 202 N -1.69 1.68 -0.80 4.37 0.00 -0.02 -1.48 120.51 122.57 3m5r n ALA 202 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3m5r n ALA 202 Cb 0.19 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3m5r n ALA 202 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37