#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m5r n MET 79 N 0.00 0.00 0.00 -1.40 2.81 -1.26 -4.36 117.12 112.91 3m5r n MET 79 Ca 0.00 -0.34 -0.21 0.00 -1.81 0.00 0.00 57.70 55.34 3m5r n MET 79 Cb 0.00 -0.24 -0.14 0.00 -0.71 0.00 0.00 33.22 32.14 3m5r n MET 79 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3m5r h THR 80 N 4.22 1.05 -1.29 2.03 2.02 -2.02 -3.48 112.91 115.44 3m5r h THR 80 Ca 0.00 -2.39 -0.71 0.00 0.77 0.00 0.00 66.41 64.08 3m5r h THR 80 Cb 1.08 2.72 0.08 0.00 -1.74 0.00 0.00 68.15 70.28 3m5r h THR 80 CO 0.00 0.68 -0.07 -0.38 0.37 0.00 0.00 175.52 176.13 3m5r n ILE 81 N -3.97 0.93 -2.81 3.11 2.08 -1.26 -4.88 119.36 112.55 3m5r n ILE 81 Ca -0.25 -0.23 -0.40 0.00 0.56 0.00 0.00 62.75 62.43 3m5r n ILE 81 Cb 0.88 -0.26 -0.06 0.00 -0.75 0.00 0.00 39.64 39.45 3m5r n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m5r s ALA 82 N -0.39 3.35 0.00 -1.39 0.00 -1.26 -4.39 121.76 117.67 3m5r s ALA 82 Ca 0.77 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3m5r s ALA 82 Cb -1.03 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 18.94 3m5r s ALA 82 CO 0.55 0.16 0.00 -1.13 0.00 0.00 0.00 175.76 175.35 3m5r n SER 83 N 1.90 0.00 -4.41 0.00 3.41 -1.26 -4.93 113.62 108.33 3m5r n SER 83 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 3m5r n SER 83 Cb 0.48 -0.10 -0.12 0.00 -0.26 0.00 0.00 64.21 64.22 3m5r n SER 83 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3m5r s VAL 84 N -0.55 2.27 0.12 -3.33 -7.23 -1.26 -5.12 120.40 105.30 3m5r s VAL 84 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 3m5r s VAL 84 Cb 0.00 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.80 3m5r s VAL 84 CO 0.00 -0.13 0.91 -2.16 -0.31 0.00 0.00 175.10 173.41 3m5r s PRO 85 N -2.65 4.68 -0.17 4.82 0.04 -1.26 -4.85 135.00 135.61 3m5r s PRO 85 Ca 0.20 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 3m5r s PRO 85 Cb -0.08 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 3m5r s PRO 85 CO 0.09 0.30 0.64 0.99 0.04 0.00 0.00 177.00 179.06 3m5r s THR 86 N -0.29 5.03 0.25 1.26 2.01 -1.26 -4.99 115.64 117.66 3m5r s THR 86 Ca 0.44 1.23 -0.16 0.00 0.31 0.00 0.00 61.69 63.50 3m5r s THR 86 Cb -0.23 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.24 3m5r s THR 86 CO 0.29 0.15 0.68 -0.44 -0.69 0.00 0.00 174.62 174.60 3m5r s SER 87 N 1.08 6.87 0.01 3.53 0.01 -1.26 -3.40 113.70 120.53 3m5r s SER 87 Ca 0.30 1.25 0.04 0.00 1.31 0.00 0.00 55.95 58.86 3m5r s SER 87 Cb -0.16 -2.36 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 3m5r s SER 87 CO 0.12 -0.05 -0.13 -0.13 0.41 0.00 0.00 173.24 173.45 3m5r s ARG 88 N -2.43 0.98 -0.49 12.44 0.52 0.45 -4.98 118.95 125.44 3m5r s ARG 88 Ca 0.47 -0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 3m5r s ARG 88 Cb -0.13 -0.96 0.09 0.00 0.52 0.00 0.00 34.95 34.47 3m5r s ARG 88 CO 0.19 0.25 0.44 -0.47 0.02 0.00 0.00 175.30 175.74 3m5r s TYR 89 N -0.49 3.23 -0.16 -0.53 5.04 -1.26 -0.23 117.35 122.95 3m5r s TYR 89 Ca 0.04 -0.99 -0.18 0.00 -2.44 0.00 0.00 57.07 53.49 3m5r s TYR 89 Cb -0.06 -3.37 -0.04 0.00 0.35 0.00 0.00 41.96 38.85 3m5r s TYR 89 CO 0.00 -0.88 0.49 -0.51 -1.34 0.00 0.00 175.55 173.32 3m5r s LEU 90 N 1.72 4.21 -0.15 6.97 1.43 -0.15 -4.96 118.68 127.74 3m5r s LEU 90 Ca 0.05 0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3m5r s LEU 90 Cb -0.25 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.31 3m5r s LEU 90 CO 0.06 -0.09 -0.08 -0.94 0.23 0.00 0.00 176.35 175.53 3m5r s SER 91 N 0.90 2.66 0.02 2.29 1.04 -1.26 -1.01 113.70 118.35 3m5r s SER 91 Ca 0.25 -0.54 0.11 0.00 0.48 0.00 0.00 55.95 56.24 3m5r s SER 91 Cb -0.15 -0.97 -0.22 0.00 0.10 0.00 0.00 66.02 64.78 3m5r s SER 91 CO 0.10 -0.14 0.90 0.44 0.98 0.00 0.00 173.24 175.52 3m5r h ASP 92 N 8.11 0.00 -2.97 7.02 3.32 -1.75 -3.47 116.42 126.69 3m5r h ASP 92 Ca -0.29 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.10 3m5r h ASP 92 Cb 1.12 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.56 3m5r h ASP 92 CO 0.43 0.98 -0.53 -0.04 -1.72 0.00 0.00 179.24 178.37 3m5r s MET 93 N -2.65 3.47 0.82 3.56 -1.94 -1.26 -4.90 119.30 116.40 3m5r s MET 93 Ca -0.02 -0.24 -0.11 0.00 -1.71 0.00 0.00 55.69 53.60 3m5r s MET 93 Cb 0.09 -3.11 0.09 0.00 2.01 0.00 0.00 34.83 33.90 3m5r s MET 93 CO 0.82 0.64 1.09 0.95 -0.01 0.00 0.00 175.02 178.51 3m5r s THR 94 N -0.66 3.05 0.25 2.05 -4.23 -1.26 -4.79 115.64 110.05 3m5r s THR 94 Ca 0.12 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 3m5r s THR 94 Cb -0.12 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 71.07 3m5r s THR 94 CO 0.02 -0.45 1.73 -0.07 -0.54 0.00 0.00 174.62 175.32 3m5r h LEU 95 N -1.28 0.30 0.24 4.79 3.38 -1.99 0.35 115.31 121.11 3m5r h LEU 95 Ca -0.47 0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.62 3m5r h LEU 95 Cb 1.26 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3m5r h LEU 95 CO 0.54 0.11 -0.32 -0.08 0.09 0.00 0.00 178.44 178.78 3m5r h GLU 96 N 0.46 -0.60 -0.84 1.13 4.22 -1.98 -0.87 114.58 116.11 3m5r h GLU 96 Ca 0.42 0.04 0.14 0.00 0.08 0.00 0.00 59.36 60.04 3m5r h GLU 96 Cb 0.63 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 3m5r h GLU 96 CO -0.40 -0.40 0.55 0.93 -2.18 0.00 0.00 179.01 177.51 3m5r h GLU 97 N -0.62 0.59 -0.37 1.92 5.08 -1.71 0.24 114.58 119.71 3m5r h GLU 97 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3m5r h GLU 97 Cb 0.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3m5r h GLU 97 CO -0.11 0.39 -0.17 0.52 -1.00 0.00 0.00 179.01 178.63 3m5r h MET 98 N 0.61 0.78 -0.00 2.33 2.86 0.21 -3.28 114.93 118.43 3m5r h MET 98 Ca 0.41 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3m5r h MET 98 Cb 0.73 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3m5r h MET 98 CO -0.17 0.96 -0.84 -1.13 1.06 0.00 0.00 176.91 176.78 3m5r n SER 99 N -4.28 0.96 -4.57 1.22 3.41 -0.44 -4.95 113.62 104.96 3m5r n SER 99 Ca -0.02 -0.98 -0.46 0.00 -0.26 0.00 0.00 58.87 57.15 3m5r n SER 99 Cb 0.41 0.96 -0.02 0.00 -0.26 0.00 0.00 64.21 65.29 3m5r n SER 99 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3m5r n ARG 100 N -1.33 1.15 -3.32 4.33 0.63 0.83 -4.94 116.66 114.01 3m5r n ARG 100 Ca 0.04 0.40 -0.38 0.00 -0.92 0.00 0.00 57.85 56.99 3m5r n ARG 100 Cb 0.30 -1.77 -0.06 0.00 0.45 0.00 0.00 32.46 31.38 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 -0.45 6.93 0.10 6.15 1.01 -1.26 -5.02 116.67 124.13 3m5r s ASP 101 Ca 0.63 1.10 0.00 0.00 0.71 0.00 0.00 52.55 55.00 3m5r s ASP 101 Cb -0.77 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 40.79 3m5r s ASP 101 CO 0.57 0.21 -0.02 -1.66 0.21 0.00 0.00 175.17 174.48 3m5r s TRP 102 N -0.63 0.83 0.01 4.23 1.48 -1.26 -5.11 118.94 118.49 3m5r s TRP 102 Ca 0.28 -1.05 0.02 0.00 -1.06 0.00 0.00 56.10 54.29 3m5r s TRP 102 Cb -0.18 -0.50 -0.01 0.00 -1.16 0.00 0.00 33.47 31.62 3m5r s TRP 102 CO 0.16 -0.31 -0.06 0.12 -4.06 0.00 0.00 176.95 172.81 3m5r s PHE 103 N -3.81 0.50 -0.17 1.66 5.36 -1.26 -5.14 117.98 115.12 3m5r s PHE 103 Ca 0.15 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 55.87 3m5r s PHE 103 Cb 0.07 -0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 42.42 3m5r s PHE 103 CO -0.04 -0.04 -0.07 -1.64 -1.46 0.00 0.00 175.22 171.98 3m5r s MET 104 N -0.61 3.48 0.09 10.12 -1.94 -1.26 -5.01 119.30 124.17 3m5r s MET 104 Ca -0.02 -0.61 -0.23 0.00 -1.71 0.00 0.00 55.69 53.12 3m5r s MET 104 Cb -0.05 -2.87 -0.14 0.00 2.01 0.00 0.00 34.83 33.78 3m5r s MET 104 CO -0.00 0.08 1.72 1.25 -0.01 0.00 0.00 175.02 178.05 3m5r h LEU 105 N 7.21 0.02 -6.40 -0.03 5.85 -1.97 -3.36 115.31 116.63 3m5r h LEU 105 Ca -0.33 -0.03 -0.59 0.00 0.84 0.00 0.00 57.88 57.77 3m5r h LEU 105 Cb 1.19 -0.01 -0.41 0.00 0.37 0.00 0.00 40.66 41.80 3m5r h LEU 105 CO 0.60 0.04 -0.76 0.80 -0.34 0.00 0.00 178.44 178.78 3m5r n MET 106 N -5.06 1.57 -1.64 1.25 1.56 -1.26 -5.02 117.12 108.52 3m5r n MET 106 Ca -0.07 -4.06 -0.48 0.00 -0.27 0.00 0.00 57.70 52.82 3m5r n MET 106 Cb 0.04 -1.94 -0.04 0.00 2.15 0.00 0.00 33.22 33.43 3m5r n MET 106 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 3m5r n PRO 107 N 1.57 1.81 -4.78 2.12 -0.02 -1.26 -1.18 135.00 133.26 3m5r n PRO 107 Ca 0.25 0.65 -0.28 0.00 -2.02 0.00 0.00 63.50 62.11 3m5r n PRO 107 Cb 0.43 -2.36 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 3m5r n PRO 107 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3m5r s ARG 108 N 0.57 2.24 -0.05 -0.52 3.52 0.65 -4.87 118.95 120.49 3m5r s ARG 108 Ca 0.79 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 3m5r s ARG 108 Cb -0.76 -1.78 0.03 0.00 -1.56 0.00 0.00 34.95 30.87 3m5r s ARG 108 CO 0.42 0.06 0.11 -1.14 -0.81 0.00 0.00 175.30 173.94 3m5r s GLN 109 N 0.61 0.06 0.01 5.12 0.74 -1.26 0.01 119.66 124.95 3m5r s GLN 109 Ca -0.15 0.28 0.05 0.00 0.05 0.00 0.00 55.36 55.59 3m5r s GLN 109 Cb -0.16 -0.15 -0.02 0.00 1.10 0.00 0.00 33.01 33.78 3m5r s GLN 109 CO 0.05 -0.13 -0.16 0.15 -0.55 0.00 0.00 175.29 174.64 3m5r s LYS 110 N 0.92 1.21 -0.25 1.67 1.02 -0.09 -5.00 119.74 119.21 3m5r s LYS 110 Ca -0.07 -0.65 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 3m5r s LYS 110 Cb -0.10 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.98 3m5r s LYS 110 CO -0.04 0.32 0.39 0.42 -0.92 0.00 0.00 175.35 175.52 3m5r s ILE 111 N -0.53 5.18 -0.51 2.17 -1.09 -1.26 -0.19 121.20 124.96 3m5r s ILE 111 Ca 0.05 0.63 0.04 0.00 -2.23 0.00 0.00 60.65 59.14 3m5r s ILE 111 Cb -0.07 -3.71 0.13 0.00 -1.58 0.00 0.00 42.46 37.23 3m5r s ILE 111 CO 0.00 0.18 0.25 -0.63 -1.23 0.00 0.00 174.94 173.51 3m5r s ILE 112 N 1.85 2.63 0.00 2.92 -1.09 0.31 -4.99 121.20 122.83 3m5r s ILE 112 Ca 0.16 -3.21 0.00 0.00 -2.23 0.00 0.00 60.65 55.37 3m5r s ILE 112 Cb -0.15 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 3m5r s ILE 112 CO 0.09 -0.79 0.00 0.61 -1.23 0.00 0.00 174.94 173.62 3m5r n GLY 113 N 3.23 3.56 0.57 6.18 0.00 -1.26 -2.07 105.19 115.40 3m5r n GLY 113 Ca 0.05 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 13.88 1.73 -4.37 1.61 -0.04 -1.26 -4.88 135.00 141.67 3m5r n PRO 114 Ca 0.00 -0.90 -0.24 0.00 -0.04 0.00 0.00 63.50 62.32 3m5r n PRO 114 Cb 0.00 -1.32 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.98 2.44 -0.17 1.53 1.43 -0.88 -2.35 118.68 119.70 3m5r s LEU 115 Ca 0.16 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 3m5r s LEU 115 Cb 0.10 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 3m5r s LEU 115 CO 0.10 0.04 -0.07 0.00 0.23 0.00 0.00 176.35 176.64 3m5r s VAL 117 N 0.77 3.96 0.00 0.00 1.01 0.73 -1.63 120.40 125.24 3m5r s VAL 117 Ca -0.03 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3m5r s VAL 117 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3m5r s VAL 117 CO 0.02 0.46 -0.19 -0.13 0.00 0.00 0.00 175.10 175.25 3m5r s ARG 118 N 0.70 1.49 -0.05 2.72 0.52 0.55 -0.92 118.95 123.97 3m5r s ARG 118 Ca -0.01 -0.75 -0.03 0.00 -0.52 0.00 0.00 55.73 54.43 3m5r s ARG 118 Cb -0.14 -1.48 0.02 0.00 0.52 0.00 0.00 34.95 33.87 3m5r s ARG 118 CO 0.02 0.40 0.12 -1.17 0.02 0.00 0.00 175.30 174.69 3m5r s LEU 119 N -0.64 1.18 -0.34 2.53 2.96 0.10 -0.38 118.68 124.09 3m5r s LEU 119 Ca 0.07 0.24 -0.23 0.00 -0.22 0.00 0.00 54.13 53.99 3m5r s LEU 119 Cb -0.08 0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.96 3m5r s LEU 119 CO -0.00 -0.09 0.80 -0.62 -1.32 0.00 0.00 176.35 175.12 3m5r s ASP 120 N 0.60 6.60 0.32 3.68 -1.08 0.34 -0.26 116.67 126.88 3m5r s ASP 120 Ca -0.05 0.49 0.26 0.00 -0.52 0.00 0.00 52.55 52.74 3m5r s ASP 120 Cb -0.06 -2.41 1.03 0.00 -1.46 0.00 0.00 42.92 40.02 3m5r s ASP 120 CO -0.03 -0.70 1.77 1.56 0.52 0.00 0.00 175.17 178.30 3m5r h GLN 121 N 8.34 0.00 -0.92 4.34 4.20 -1.48 -3.08 115.11 126.51 3m5r h GLN 121 Ca -0.24 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3m5r h GLN 121 Cb 1.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 3m5r h GLN 121 CO 0.91 0.00 0.01 0.00 -0.67 0.00 0.00 178.83 179.07 3m5r n ALA 122 N -1.85 2.80 -3.76 3.87 0.00 -1.26 -4.70 120.51 115.61 3m5r n ALA 122 Ca 0.02 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 3m5r n ALA 122 Cb 0.27 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 3m5r n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3m5r s ILE 123 N -1.32 2.79 0.04 0.00 -1.09 -1.17 -5.05 121.20 115.41 3m5r s ILE 123 Ca 0.11 -0.98 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3m5r s ILE 123 Cb 0.08 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.55 3m5r s ILE 123 CO 0.03 0.26 -0.05 0.00 -1.23 0.00 0.00 174.94 173.95 3m5r s MET 124 N 1.33 0.51 -1.22 2.79 0.23 -1.26 -4.83 119.30 116.85 3m5r s MET 124 Ca 0.01 -0.85 -0.07 0.00 -1.03 0.00 0.00 55.69 53.75 3m5r s MET 124 Cb -0.16 -0.07 0.05 0.00 -1.53 0.00 0.00 34.83 33.12 3m5r s MET 124 CO -0.05 -0.02 0.38 0.39 -2.03 0.00 0.00 175.02 173.69 3m5r n GLU 125 N 1.12 -3.23 -4.17 3.16 1.02 -0.99 -4.89 120.64 112.66 3m5r n GLU 125 Ca -0.21 0.51 -0.23 0.00 -0.02 0.00 0.00 57.16 57.22 3m5r n GLU 125 Cb 0.56 -5.20 -0.05 0.00 -0.02 0.00 0.00 31.44 26.73 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 -5.77 2.70 -0.18 3.49 1.02 -1.26 -4.91 119.74 114.84 3m5r s LYS 126 Ca 0.30 -1.15 -0.25 0.00 0.02 0.00 0.00 55.97 54.89 3m5r s LYS 126 Cb -0.16 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 3m5r s LYS 126 CO 0.37 0.40 0.83 -0.80 -0.92 0.00 0.00 175.35 175.24 3m5r s ASN 127 N -3.68 6.94 -0.03 2.83 0.01 -1.26 -1.02 114.94 118.72 3m5r s ASN 127 Ca 0.32 1.16 0.06 0.00 -0.71 0.00 0.00 52.86 53.69 3m5r s ASN 127 Cb -0.08 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 3m5r s ASN 127 CO 0.23 -0.42 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.54 3m5r s ILE 128 N 2.26 1.81 -0.00 0.60 -1.09 0.10 -3.42 121.20 121.47 3m5r s ILE 128 Ca 0.38 -0.96 0.07 0.00 -2.23 0.00 0.00 60.65 57.91 3m5r s ILE 128 Cb -0.16 -1.52 -0.02 0.00 -1.58 0.00 0.00 42.46 39.17 3m5r s ILE 128 CO 0.11 0.51 -0.23 0.54 -1.23 0.00 0.00 174.94 174.64 3m5r s VAL 129 N -0.33 2.32 -0.12 2.92 0.11 -0.02 -0.49 120.40 124.79 3m5r s VAL 129 Ca 0.03 -1.12 -0.11 0.00 -2.93 0.00 0.00 61.98 57.84 3m5r s VAL 129 Cb -0.11 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 3m5r s VAL 129 CO 0.01 0.50 0.25 -0.76 -3.33 0.00 0.00 175.10 171.77 3m5r s LEU 130 N -0.88 4.33 -0.02 2.54 1.43 -0.12 0.30 118.68 126.26 3m5r s LEU 130 Ca 0.11 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 3m5r s LEU 130 Cb -0.10 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 3m5r s LEU 130 CO 0.01 0.25 -0.11 -0.54 0.23 0.00 0.00 176.35 176.18 3m5r s LYS 131 N -0.30 1.10 0.04 1.70 1.02 0.13 -2.34 119.74 121.09 3m5r s LYS 131 Ca 0.16 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.79 3m5r s LYS 131 Cb -0.13 -1.02 -0.02 0.00 -0.52 0.00 0.00 37.83 36.14 3m5r s LYS 131 CO 0.05 0.18 -0.10 0.00 -0.92 0.00 0.00 175.35 174.57 3m5r s ALA 132 N 0.01 0.75 -0.16 5.17 0.00 -1.26 -0.40 121.76 125.86 3m5r s ALA 132 Ca -0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3m5r s ALA 132 Cb -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 3m5r s ALA 132 CO 0.00 0.05 -0.13 -0.80 0.00 0.00 0.00 175.76 174.89 3m5r s ASN 133 N -1.45 3.84 0.16 0.00 -0.87 0.72 -1.85 114.94 115.50 3m5r s ASN 133 Ca -0.06 -0.43 -0.08 0.00 -1.57 0.00 0.00 52.86 50.72 3m5r s ASN 133 Cb -0.09 -1.61 -0.01 0.00 -0.02 0.00 0.00 41.25 39.52 3m5r s ASN 133 CO 0.01 0.08 0.26 0.72 -2.57 0.00 0.00 177.10 175.59 3m5r s PHE 134 N 0.88 0.48 -0.20 2.20 -0.71 -0.18 -1.22 117.98 119.23 3m5r s PHE 134 Ca -0.03 -0.84 -0.10 0.00 -1.04 0.00 0.00 56.93 54.91 3m5r s PHE 134 Cb -0.15 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.49 3m5r s PHE 134 CO -0.01 -0.70 0.14 0.45 -1.34 0.00 0.00 175.22 173.76 3m5r s SER 135 N -2.99 6.21 -0.04 1.98 0.15 0.14 -0.98 113.70 118.17 3m5r s SER 135 Ca 0.19 0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.10 3m5r s SER 135 Cb 0.04 -2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 3m5r s SER 135 CO 0.01 0.16 -0.14 -0.69 1.20 0.00 0.00 173.24 173.79 3m5r s VAL 136 N 0.46 3.13 -0.03 4.45 1.01 0.68 0.12 120.40 130.22 3m5r s VAL 136 Ca 0.08 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.39 3m5r s VAL 136 Cb -0.11 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3m5r s VAL 136 CO -0.01 0.56 -0.24 -0.51 0.00 0.00 0.00 175.10 174.90 3m5r s ILE 137 N -0.77 1.92 0.00 2.22 2.07 -0.67 -0.41 121.20 125.56 3m5r s ILE 137 Ca 0.12 -1.03 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 3m5r s ILE 137 Cb -0.11 -1.60 0.00 0.00 0.13 0.00 0.00 42.46 40.88 3m5r s ILE 137 CO 0.01 0.54 0.00 0.49 -1.91 0.00 0.00 174.94 174.08 3m5r n PHE 138 N 2.58 0.00 -1.84 3.50 3.72 -1.22 -1.51 117.46 122.70 3m5r n PHE 138 Ca -0.16 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.20 3m5r n PHE 138 Cb 0.52 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.19 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 6.06 2.72 -4.06 4.37 4.05 -1.26 -4.95 115.26 122.19 3m5r n ASN 139 Ca 0.00 -3.68 -0.21 0.00 0.45 0.00 0.00 54.58 51.14 3m5r n ASN 139 Cb 0.00 -0.45 -0.15 0.00 1.23 0.00 0.00 39.78 40.41 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 -3.18 1.06 0.24 1.20 1.70 -0.57 -5.03 118.95 114.36 3m5r s ARG 140 Ca 0.42 -0.42 -0.31 0.00 -0.47 0.00 0.00 55.73 54.95 3m5r s ARG 140 Cb 0.38 -1.00 -0.14 0.00 -0.57 0.00 0.00 34.95 33.63 3m5r s ARG 140 CO -0.04 0.22 1.33 -0.11 -1.08 0.00 0.00 175.30 175.62 3m5r n LEU 141 N 2.96 2.77 -0.03 -1.89 7.94 -1.26 -1.67 117.00 125.82 3m5r n LEU 141 Ca -0.16 1.15 -0.05 0.00 -1.11 0.00 0.00 56.01 55.85 3m5r n LEU 141 Cb 0.55 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 3m5r n LEU 141 CO 0.25 -0.69 -0.70 1.21 -1.11 0.00 0.00 177.39 176.35 3m5r n GLU 142 N 1.83 0.15 -3.67 1.96 2.13 0.12 -4.57 120.64 118.58 3m5r n GLU 142 Ca 0.12 0.04 -0.11 0.00 0.66 0.00 0.00 57.16 57.87 3m5r n GLU 142 Cb 0.30 -1.04 -0.11 0.00 0.27 0.00 0.00 31.44 30.86 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 -2.12 -0.45 -0.08 6.31 2.01 -0.64 -4.79 115.64 115.89 3m5r s THR 143 Ca -0.08 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 3m5r s THR 143 Cb 0.02 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 3m5r s THR 143 CO 0.13 0.08 0.99 -0.22 -0.69 0.00 0.00 174.62 174.91 3m5r s LEU 144 N 2.31 4.27 -0.19 4.42 2.96 -1.26 0.26 118.68 131.45 3m5r s LEU 144 Ca -0.02 1.54 -0.19 0.00 -0.22 0.00 0.00 54.13 55.24 3m5r s LEU 144 Cb -0.11 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.88 3m5r s LEU 144 CO -0.11 -0.40 0.13 0.40 -1.32 0.00 0.00 176.35 175.06 3m5r h ILE 145 N 5.03 0.72 -1.99 6.68 1.08 -1.52 -3.43 117.51 124.08 3m5r h ILE 145 Ca -0.33 -1.93 -0.02 0.00 -0.39 0.00 0.00 64.86 62.18 3m5r h ILE 145 Cb 1.16 1.76 -0.19 0.00 -3.07 0.00 0.00 36.82 36.48 3m5r h ILE 145 CO 0.83 0.25 0.28 -0.22 -0.69 0.00 0.00 178.15 178.59 3m5r s LEU 146 N -7.95 -0.58 -0.02 1.44 2.96 -0.84 -4.54 118.68 109.15 3m5r s LEU 146 Ca -0.26 0.58 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 3m5r s LEU 146 Cb 0.05 2.38 -0.00 0.00 0.50 0.00 0.00 46.19 49.12 3m5r s LEU 146 CO 0.51 -0.58 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.64 3m5r s LEU 147 N -1.32 1.90 0.02 -0.68 0.20 -0.67 -0.20 118.68 117.92 3m5r s LEU 147 Ca -0.08 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.55 3m5r s LEU 147 Cb -0.00 -0.60 -0.01 0.00 -0.43 0.00 0.00 46.19 45.14 3m5r s LEU 147 CO 0.06 0.10 -0.06 -0.13 -0.29 0.00 0.00 176.35 176.03 3m5r s ARG 148 N -0.01 0.44 -0.15 1.98 0.52 0.46 -1.07 118.95 121.12 3m5r s ARG 148 Ca -0.00 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.62 3m5r s ARG 148 Cb -0.07 -0.29 -0.05 0.00 0.52 0.00 0.00 34.95 35.06 3m5r s ARG 148 CO 0.00 0.06 0.19 0.00 0.02 0.00 0.00 175.30 175.58 3m5r s ALA 149 N -0.83 3.73 0.05 2.13 0.00 -0.68 -0.70 121.76 125.46 3m5r s ALA 149 Ca -0.05 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.41 3m5r s ALA 149 Cb -0.06 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 3m5r s ALA 149 CO 0.00 0.32 -0.23 -0.06 0.00 0.00 0.00 175.76 175.78 3m5r s PHE 150 N -0.18 2.05 0.80 0.00 0.40 0.15 -1.03 117.98 120.16 3m5r s PHE 150 Ca 0.13 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 3m5r s PHE 150 Cb -0.12 -1.22 0.07 0.00 0.51 0.00 0.00 43.02 42.26 3m5r s PHE 150 CO 0.02 0.12 1.13 0.95 0.70 0.00 0.00 175.22 178.15 3m5r s THR 151 N -0.82 2.64 0.34 0.64 -4.23 -0.09 -0.84 115.64 113.27 3m5r s THR 151 Ca 0.10 0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.85 3m5r s THR 151 Cb -0.09 -3.11 0.29 0.00 1.34 0.00 0.00 72.50 70.93 3m5r s THR 151 CO 0.02 -0.27 1.94 -0.33 -0.54 0.00 0.00 174.62 175.44 3m5r h GLU 152 N -1.03 0.83 0.00 3.99 5.08 -1.91 -0.35 114.58 121.19 3m5r h GLU 152 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3m5r h GLU 152 Cb 1.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3m5r h GLU 152 CO 0.63 0.55 0.00 0.39 -1.00 0.00 0.00 179.01 179.58 3m5r n GLU 153 N -4.49 0.12 -0.25 2.33 4.71 -1.26 -4.86 120.64 116.94 3m5r n GLU 153 Ca 0.12 0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.48 3m5r n GLU 153 Cb 0.23 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3m5r n GLU 153 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3m5r n GLY 154 N -0.22 0.81 3.82 0.62 0.00 -0.14 -5.07 105.19 105.00 3m5r n GLY 154 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.14 3.20 -0.19 4.61 0.00 -1.26 -4.77 121.76 121.21 3m5r s ALA 155 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 3m5r s ALA 155 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 3m5r s ALA 155 CO 0.00 0.22 0.48 0.42 0.00 0.00 0.00 175.76 176.88 3m5r s ILE 156 N -1.90 5.14 0.00 0.00 1.01 -1.26 -0.91 121.20 123.27 3m5r s ILE 156 Ca 0.55 0.88 0.00 0.00 0.00 0.00 0.00 60.65 62.07 3m5r s ILE 156 Cb -0.13 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3m5r s ILE 156 CO 0.18 0.21 0.22 1.33 0.00 0.00 0.00 174.94 176.88 3m5r n VAL 157 N 4.40 0.00 -3.67 2.92 0.24 -0.20 -4.82 118.33 117.20 3m5r n VAL 157 Ca -0.06 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 3m5r n VAL 157 Cb 0.51 1.13 -0.02 0.00 -1.47 0.00 0.00 33.84 33.99 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 -0.33 -0.31 -0.17 7.63 0.00 -1.24 -0.50 107.32 112.40 3m5r s GLY 158 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.70 3m5r s GLY 158 CO 0.00 0.08 0.86 1.85 0.00 0.00 0.00 173.10 175.88 3m5r s GLU 159 N -3.49 0.76 -0.08 2.90 2.12 0.49 -1.69 118.70 119.71 3m5r s GLU 159 Ca 0.08 0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.87 3m5r s GLU 159 Cb -0.02 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.74 3m5r s GLU 159 CO -0.02 -0.19 -0.19 0.42 -0.54 0.00 0.00 175.26 174.75 3m5r s ILE 160 N -0.60 1.65 0.07 -3.70 1.01 -0.23 -0.33 121.20 119.07 3m5r s ILE 160 Ca -0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3m5r s ILE 160 Cb -0.02 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3m5r s ILE 160 CO 0.03 0.47 0.08 -0.94 0.00 0.00 0.00 174.94 174.57 3m5r s SER 161 N 0.49 0.31 0.54 3.58 1.04 -0.65 -1.68 113.70 117.33 3m5r s SER 161 Ca -0.17 -0.83 -0.20 0.00 0.48 0.00 0.00 55.95 55.23 3m5r s SER 161 Cb -0.17 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 3m5r s SER 161 CO 0.07 -0.66 1.19 -2.84 0.98 0.00 0.00 173.24 171.98 3m5r s PRO 162 N -3.89 3.29 0.68 4.02 0.02 -1.26 -0.03 135.00 137.83 3m5r s PRO 162 Ca 0.06 1.81 -0.17 0.00 0.02 0.00 0.00 61.00 62.72 3m5r s PRO 162 Cb 0.06 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3m5r s PRO 162 CO -0.11 -0.95 0.89 1.28 -0.33 0.00 0.00 177.00 177.79 3m5r n LEU 163 N -1.17 3.16 -0.33 -5.54 4.77 -0.99 -4.72 117.00 112.18 3m5r n LEU 163 Ca 0.11 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.92 3m5r n LEU 163 Cb 0.49 -1.37 0.35 0.00 -2.33 0.00 0.00 43.42 40.56 3m5r n LEU 163 CO 0.46 -2.16 1.21 1.55 -1.33 0.00 0.00 177.39 177.11 3m5r h PRO 164 N -0.04 0.71 0.00 3.23 0.13 -1.94 0.51 132.00 134.59 3m5r h PRO 164 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3m5r h PRO 164 Cb 1.35 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3m5r h PRO 164 CO 0.47 0.47 0.00 -1.13 -0.23 0.00 0.00 178.00 177.58 3m5r n SER 165 N -4.69 0.00 -3.82 1.44 3.41 -1.26 -4.90 113.62 103.79 3m5r n SER 165 Ca 0.22 -0.05 -0.37 0.00 -0.26 0.00 0.00 58.87 58.41 3m5r n SER 165 Cb 0.57 -0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3m5r n SER 165 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3m5r n LEU 166 N -1.22 -1.91 0.00 1.04 4.77 0.17 -4.85 117.00 115.01 3m5r n LEU 166 Ca 0.08 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3m5r n LEU 166 Cb 0.10 -2.10 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 3m5r n LEU 166 CO 0.10 0.58 0.48 -2.65 -1.33 0.00 0.00 177.39 174.57 3m5r n PRO 167 N -4.44 0.00 -0.12 3.23 -0.02 -1.26 -4.94 135.00 127.44 3m5r n PRO 167 Ca -0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3m5r n PRO 167 Cb 0.58 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3m5r n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m5r n GLY 168 N -1.42 -3.35 3.41 -1.23 0.00 -1.26 -5.05 105.19 96.28 3m5r n GLY 168 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.32 -0.08 0.49 1.61 -3.43 -1.26 -4.83 115.29 106.47 3m5r s HIS 169 Ca 0.00 -0.25 0.03 0.00 -0.80 0.00 0.00 55.06 54.04 3m5r s HIS 169 Cb 0.00 0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 31.40 3m5r s HIS 169 CO 0.00 -0.80 0.08 0.95 -2.00 0.00 0.00 174.74 172.97 3m5r s THR 170 N -3.86 1.46 0.24 -5.38 -4.23 -1.26 -4.84 115.64 97.76 3m5r s THR 170 Ca 0.08 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.59 3m5r s THR 170 Cb 0.01 -2.35 0.29 0.00 1.34 0.00 0.00 72.50 71.78 3m5r s THR 170 CO -0.06 0.00 1.62 0.22 -0.54 0.00 0.00 174.62 175.85 3m5r h TYR 171 N 1.33 -0.22 -0.97 3.99 3.20 -1.87 -0.80 116.97 121.62 3m5r h TYR 171 Ca -0.43 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.55 3m5r h TYR 171 Cb 1.30 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.72 3m5r h TYR 171 CO 1.25 -0.28 0.63 0.93 -1.64 0.00 0.00 178.16 179.04 3m5r h GLU 172 N 0.05 1.16 -0.18 1.82 4.39 -1.97 0.41 114.58 120.26 3m5r h GLU 172 Ca 0.39 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 3m5r h GLU 172 Cb 0.64 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3m5r h GLU 172 CO -0.72 0.77 0.05 -0.44 -1.16 0.00 0.00 179.01 177.51 3m5r h ASP 173 N 1.20 0.26 -0.44 1.42 3.32 -1.65 -1.52 116.42 119.01 3m5r h ASP 173 Ca 0.40 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3m5r h ASP 173 Cb 0.05 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3m5r h ASP 173 CO -0.14 0.41 0.28 0.58 -1.72 0.00 0.00 179.24 178.65 3m5r h VAL 174 N 0.10 1.13 -0.44 -1.35 2.07 -0.34 -1.69 116.25 115.75 3m5r h VAL 174 Ca 0.06 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3m5r h VAL 174 Cb 0.25 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3m5r h VAL 174 CO -0.00 0.13 0.22 0.50 0.02 0.00 0.00 177.57 178.44 3m5r h LYS 175 N 0.59 0.43 -0.79 1.57 3.64 -0.15 -1.39 116.57 120.47 3m5r h LYS 175 Ca 0.16 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3m5r h LYS 175 Cb -0.02 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3m5r h LYS 175 CO -0.03 0.28 0.42 -0.91 -2.27 0.00 0.00 179.45 176.94 3m5r h ASN 176 N 0.44 0.99 -0.38 4.20 2.35 -0.94 -1.57 115.58 120.68 3m5r h ASN 176 Ca 0.19 -0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 3m5r h ASN 176 Cb 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3m5r h ASN 176 CO -0.13 0.81 -0.33 0.00 -1.65 0.00 0.00 177.43 176.13 3m5r h ALA 177 N 1.35 0.65 -0.62 -0.83 0.00 -0.93 -2.04 119.26 116.83 3m5r h ALA 177 Ca 0.28 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3m5r h ALA 177 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3m5r h ALA 177 CO -0.04 0.67 0.29 0.28 0.00 0.00 0.00 179.25 180.45 3m5r h VAL 178 N 0.77 1.22 -0.99 0.00 2.07 -1.05 -1.02 116.25 117.24 3m5r h VAL 178 Ca 0.08 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3m5r h VAL 178 Cb 0.91 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3m5r h VAL 178 CO 0.08 0.26 0.65 1.23 0.02 0.00 0.00 177.57 179.81 3m5r h GLY 179 N 0.86 1.40 0.72 2.17 0.00 -1.00 -0.16 103.07 107.06 3m5r h GLY 179 Ca 0.21 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3m5r h GLY 179 CO -0.03 0.52 0.00 -2.08 0.00 0.00 0.00 176.54 174.95 3m5r h VAL 180 N 1.35 1.23 -0.45 4.60 2.07 -1.02 -0.21 116.25 123.81 3m5r h VAL 180 Ca 0.36 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3m5r h VAL 180 Cb -0.15 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3m5r h VAL 180 CO -0.08 0.17 0.26 0.25 0.02 0.00 0.00 177.57 178.19 3m5r h LEU 181 N -0.26 0.40 -0.53 2.57 5.85 -0.84 -0.07 115.31 122.43 3m5r h LEU 181 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3m5r h LEU 181 Cb 0.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3m5r h LEU 181 CO 0.00 0.29 0.26 0.40 -0.34 0.00 0.00 178.44 179.05 3m5r h ILE 182 N 0.51 1.20 -0.50 4.05 2.04 -0.99 -1.54 117.51 122.28 3m5r h ILE 182 Ca 0.18 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.58 3m5r h ILE 182 Cb 0.04 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 3m5r h ILE 182 CO -0.10 0.22 0.09 1.23 0.00 0.00 0.00 178.15 179.59 3m5r h GLY 183 N 0.72 0.59 0.98 5.37 0.00 -0.44 -0.60 103.07 109.69 3m5r h GLY 183 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3m5r h GLY 183 CO -0.02 -0.08 0.29 -1.33 0.00 0.00 0.00 176.54 175.40 3m5r h GLY 184 N 0.22 0.80 1.04 4.60 0.00 -0.62 -1.34 103.07 107.76 3m5r h GLY 184 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3m5r h GLY 184 CO -0.34 0.35 0.38 1.41 0.00 0.00 0.00 176.54 178.35 3m5r h LEU 185 N 0.72 1.09 -0.64 3.11 3.38 -0.89 -3.02 115.31 119.05 3m5r h LEU 185 Ca 0.19 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3m5r h LEU 185 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3m5r h LEU 185 CO -0.03 0.93 -0.41 -0.33 0.09 0.00 0.00 178.44 178.69 3m5r h GLU 186 N 1.17 0.00 0.00 1.13 5.08 -0.65 -2.07 114.58 119.24 3m5r h GLU 186 Ca 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3m5r h GLU 186 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3m5r h GLU 186 CO -0.03 0.41 -0.13 2.35 -1.00 0.00 0.00 179.01 180.61 3m5r h TRP 187 N 0.00 0.00 -0.54 4.33 2.91 -1.13 -1.02 115.95 120.50 3m5r h TRP 187 Ca -0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 3m5r h TRP 187 Cb 1.05 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.70 3m5r h TRP 187 CO 0.00 0.13 0.00 0.09 -1.03 0.00 0.00 178.44 177.63 3m5r n ASN 188 N -3.75 3.47 -0.06 2.65 3.02 -0.82 -4.91 115.26 114.86 3m5r n ASN 188 Ca -0.02 -2.18 -0.01 0.00 -0.03 0.00 0.00 54.58 52.34 3m5r n ASN 188 Cb 0.23 -0.45 -0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.18 0.49 3.79 7.41 0.00 -0.39 -2.34 105.19 115.33 3m5r n GLY 189 Ca 0.20 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.48 6.44 -0.29 1.61 0.01 -0.97 -3.49 114.94 115.77 3m5r s ASN 190 Ca 0.00 1.96 -0.11 0.00 -0.71 0.00 0.00 52.86 54.00 3m5r s ASN 190 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3m5r s ASN 190 CO 0.00 -0.71 0.19 -0.89 -1.51 0.00 0.00 177.10 174.17 3m5r s THR 191 N -1.90 5.20 -0.17 1.60 2.01 -0.19 -4.43 115.64 117.77 3m5r s THR 191 Ca 0.65 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.70 3m5r s THR 191 Cb -0.18 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 3m5r s THR 191 CO 0.22 0.21 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.55 3m5r s VAL 192 N 1.74 2.91 0.20 3.82 1.01 -1.26 0.01 120.40 128.83 3m5r s VAL 192 Ca 0.07 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.47 3m5r s VAL 192 Cb -0.16 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3m5r s VAL 192 CO 0.10 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.50 3m5r s ARG 193 N 0.88 1.67 0.12 2.72 1.70 0.35 -4.98 118.95 121.41 3m5r s ARG 193 Ca -0.03 -1.48 0.09 0.00 -0.47 0.00 0.00 55.73 53.84 3m5r s ARG 193 Cb -0.15 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.27 3m5r s ARG 193 CO -0.00 0.40 -0.19 0.14 -1.08 0.00 0.00 175.30 174.57 3m5r s VAL 194 N -1.75 2.78 0.91 4.99 -7.23 -1.26 -0.95 120.40 117.89 3m5r s VAL 194 Ca 0.23 -1.53 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 3m5r s VAL 194 Cb -0.08 -2.27 0.14 0.00 0.56 0.00 0.00 36.38 34.73 3m5r s VAL 194 CO 0.12 0.10 1.15 -0.94 -0.31 0.00 0.00 175.10 175.21 3m5r s SER 195 N -2.14 2.94 0.21 4.85 1.04 -0.99 -4.77 113.70 114.84 3m5r s SER 195 Ca 0.18 2.20 -0.10 0.00 0.48 0.00 0.00 55.95 58.71 3m5r s SER 195 Cb -0.10 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.69 3m5r s SER 195 CO 0.10 -3.09 1.79 -0.33 0.98 0.00 0.00 173.24 172.68 3m5r h GLU 196 N -1.83 0.57 -0.57 4.02 4.39 -1.98 -0.82 114.58 118.36 3m5r h GLU 196 Ca -0.43 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.24 3m5r h GLU 196 Cb 1.27 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 3m5r h GLU 196 CO 0.42 0.38 0.37 -0.91 -1.16 0.00 0.00 179.01 178.10 3m5r h ASN 197 N 0.58 0.64 -0.58 1.42 2.35 -1.98 0.23 115.58 118.25 3m5r h ASN 197 Ca 0.29 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3m5r h ASN 197 Cb 0.24 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3m5r h ASN 197 CO -0.21 0.46 0.32 0.40 -1.65 0.00 0.00 177.43 176.75 3m5r h ILE 198 N 0.76 1.19 -0.49 2.81 2.04 -1.82 -0.29 117.51 121.71 3m5r h ILE 198 Ca 0.21 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3m5r h ILE 198 Cb -0.08 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3m5r h ILE 198 CO -0.05 0.20 0.15 -0.61 0.00 0.00 0.00 178.15 177.84 3m5r h GLN 199 N 0.78 0.72 0.01 2.37 4.15 -0.35 0.25 115.11 123.03 3m5r h GLN 199 Ca 0.20 -0.12 -0.17 0.00 0.77 0.00 0.00 58.65 59.33 3m5r h GLN 199 Cb 0.04 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.62 3m5r h GLN 199 CO -0.03 0.63 -0.68 -0.09 -1.93 0.00 0.00 178.83 176.72 3m5r h ARG 200 N 0.70 0.45 0.00 1.69 9.65 -0.18 -3.38 114.38 123.31 3m5r h ARG 200 Ca 0.16 -0.49 -0.12 0.00 -1.10 0.00 0.00 59.98 58.44 3m5r h ARG 200 Cb 0.21 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 3m5r h ARG 200 CO -0.01 1.14 -1.58 1.19 2.80 0.00 0.00 179.97 183.51 3m5r n PHE 201 N -4.16 0.00 0.17 2.20 3.72 -0.15 -4.80 117.46 114.43 3m5r n PHE 201 Ca -0.11 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 3m5r n PHE 201 Cb 0.71 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.19 2.47 -0.53 4.37 0.00 0.66 -4.49 120.51 120.81 3m5r n ALA 202 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3m5r n ALA 202 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3m5r n ALA 202 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37