#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwg n PRO 85 N 0.00 0.80 -0.11 -0.78 -0.04 -1.26 -4.80 135.00 128.81 3kwg n PRO 85 Ca 0.00 0.33 0.16 0.00 -0.04 0.00 0.00 63.50 63.95 3kwg n PRO 85 Cb 0.00 -2.48 0.54 0.00 -0.04 0.00 0.00 33.50 31.53 3kwg n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kwg h ALA 86 N 0.05 2.17 0.00 0.55 0.00 -2.03 0.98 119.26 120.98 3kwg h ALA 86 Ca -0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3kwg h ALA 86 Cb 1.33 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kwg h ALA 86 CO 0.50 -0.35 -0.15 0.66 0.00 0.00 0.00 179.25 179.92 3kwg h SER 87 N 0.32 0.00 -0.50 0.00 4.64 -2.02 -2.75 113.55 113.24 3kwg h SER 87 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3kwg h SER 87 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3kwg h SER 87 CO -0.08 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 3kwg n ARG 88 N -3.52 3.21 -3.86 4.77 1.74 0.32 -4.86 116.66 114.46 3kwg n ARG 88 Ca -0.01 -2.60 -0.36 0.00 -0.77 0.00 0.00 57.85 54.11 3kwg n ARG 88 Cb 0.30 -1.65 -0.13 0.00 -1.02 0.00 0.00 32.46 29.95 3kwg n ARG 88 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3kwg s TYR 89 N -1.64 3.11 -0.15 -1.55 5.04 -1.04 -0.74 117.35 120.38 3kwg s TYR 89 Ca 0.41 -1.26 -0.18 0.00 -2.44 0.00 0.00 57.07 53.60 3kwg s TYR 89 Cb 0.26 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 40.37 3kwg s TYR 89 CO 0.20 -0.65 0.50 0.42 -1.34 0.00 0.00 175.55 174.69 3kwg s ILE 90 N 1.41 5.15 -0.60 3.14 -1.09 0.66 -4.96 121.20 124.93 3kwg s ILE 90 Ca 0.01 0.96 0.04 0.00 -2.23 0.00 0.00 60.65 59.44 3kwg s ILE 90 Cb -0.17 -3.83 0.16 0.00 -1.58 0.00 0.00 42.46 37.04 3kwg s ILE 90 CO -0.01 0.26 0.41 0.42 -1.23 0.00 0.00 174.94 174.79 3kwg s THR 91 N 1.07 2.14 0.42 2.92 -4.23 -1.26 -1.21 115.64 115.49 3kwg s THR 91 Ca 0.25 -3.66 0.11 0.00 -1.18 0.00 0.00 61.69 57.21 3kwg s THR 91 Cb -0.15 -2.43 0.20 0.00 1.34 0.00 0.00 72.50 71.46 3kwg s THR 91 CO 0.10 -1.03 1.99 0.44 -0.54 0.00 0.00 174.62 175.58 3kwg h ASP 92 N 5.68 0.20 -3.02 3.99 3.32 -1.81 -3.43 116.42 121.35 3kwg h ASP 92 Ca 0.14 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 56.49 3kwg h ASP 92 Cb 0.82 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.21 3kwg h ASP 92 CO 0.61 0.29 -0.56 -0.04 -1.72 0.00 0.00 179.24 177.82 3kwg s MET 93 N -4.91 3.17 0.83 3.56 -1.94 -1.26 -4.91 119.30 113.84 3kwg s MET 93 Ca -0.06 -0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 53.48 3kwg s MET 93 Cb 0.16 -2.95 0.09 0.00 2.01 0.00 0.00 34.83 34.14 3kwg s MET 93 CO 0.72 0.72 1.09 0.95 -0.01 0.00 0.00 175.02 178.48 3kwg s THR 94 N -1.02 3.02 0.29 2.05 -4.23 -1.26 -4.81 115.64 109.68 3kwg s THR 94 Ca 0.16 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 3kwg s THR 94 Cb -0.12 -2.90 0.29 0.00 1.34 0.00 0.00 72.50 71.11 3kwg s THR 94 CO 0.06 -0.43 1.76 0.40 -0.54 0.00 0.00 174.62 175.86 3kwg h ILE 95 N -1.28 0.66 -0.35 2.99 2.04 -1.99 -0.50 117.51 119.08 3kwg h ILE 95 Ca -0.47 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3kwg h ILE 95 Cb 1.26 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3kwg h ILE 95 CO 0.55 0.12 -0.05 -0.08 0.00 0.00 0.00 178.15 178.69 3kwg h GLU 96 N 0.67 0.66 -0.68 2.37 4.22 -1.98 -2.69 114.58 117.15 3kwg h GLU 96 Ca 0.56 -0.23 -0.06 0.00 0.08 0.00 0.00 59.36 59.71 3kwg h GLU 96 Cb 0.91 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3kwg h GLU 96 CO -0.41 0.80 0.19 0.93 -2.18 0.00 0.00 179.01 178.34 3kwg h GLU 97 N 0.45 1.05 -0.84 1.92 5.08 -1.73 0.15 114.58 120.67 3kwg h GLU 97 Ca 0.09 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3kwg h GLU 97 Cb 0.54 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3kwg h GLU 97 CO 0.03 0.91 0.46 -0.07 -1.00 0.00 0.00 179.01 179.34 3kwg h LEU 98 N 1.01 1.05 0.00 1.33 3.38 -1.05 -3.28 115.31 117.75 3kwg h LEU 98 Ca 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kwg h LEU 98 Cb 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kwg h LEU 98 CO -0.00 0.85 -1.14 -1.54 0.09 0.00 0.00 178.44 176.69 3kwg n SER 99 N -4.38 0.81 -4.71 -0.43 3.41 -1.02 -4.95 113.62 102.35 3kwg n SER 99 Ca 0.08 -0.79 -0.43 0.00 -0.26 0.00 0.00 58.87 57.48 3kwg n SER 99 Cb 0.09 1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 65.14 3kwg n SER 99 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kwg n ARG 100 N -1.64 2.46 -1.81 4.33 0.63 0.02 -4.97 116.66 115.68 3kwg n ARG 100 Ca 0.03 0.88 -0.33 0.00 -0.92 0.00 0.00 57.85 57.50 3kwg n ARG 100 Cb 0.37 -2.64 0.04 0.00 0.45 0.00 0.00 32.46 30.69 3kwg n ARG 100 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3kwg s ASP 101 N 0.61 5.16 0.21 6.15 -1.08 -1.26 -5.03 116.67 121.43 3kwg s ASP 101 Ca 0.69 2.03 -0.01 0.00 -0.52 0.00 0.00 52.55 54.75 3kwg s ASP 101 Cb -0.56 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.30 3kwg s ASP 101 CO 0.45 -1.59 0.13 -1.66 0.52 0.00 0.00 175.17 173.01 3kwg s TRP 102 N -2.26 1.19 0.03 -5.34 1.48 -1.26 -5.01 118.94 107.77 3kwg s TRP 102 Ca 0.68 -1.36 0.02 0.00 -1.06 0.00 0.00 56.10 54.38 3kwg s TRP 102 Cb -0.21 -0.59 -0.02 0.00 -1.16 0.00 0.00 33.47 31.49 3kwg s TRP 102 CO 0.40 -0.62 -0.07 -0.06 -4.06 0.00 0.00 176.95 172.54 3kwg s PHE 103 N -4.12 0.62 -0.13 1.66 0.08 -1.26 -5.14 117.98 109.70 3kwg s PHE 103 Ca 0.39 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 57.07 3kwg s PHE 103 Cb 0.07 -0.38 0.03 0.00 -0.57 0.00 0.00 43.02 42.17 3kwg s PHE 103 CO 0.12 -0.06 -0.08 -1.64 -0.10 0.00 0.00 175.22 173.47 3kwg s MET 104 N -1.10 1.58 0.16 0.44 -1.94 -1.26 -4.85 119.30 112.33 3kwg s MET 104 Ca -0.06 -0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 53.49 3kwg s MET 104 Cb -0.07 -1.71 0.01 0.00 2.01 0.00 0.00 34.83 35.07 3kwg s MET 104 CO 0.00 -0.29 1.57 1.25 -0.01 0.00 0.00 175.02 177.53 3kwg h LEU 105 N 8.16 0.97 -6.90 -0.03 5.85 -1.95 -3.37 115.31 118.03 3kwg h LEU 105 Ca -0.30 -0.37 -0.61 0.00 0.84 0.00 0.00 57.88 57.45 3kwg h LEU 105 Cb 1.13 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 41.49 3kwg h LEU 105 CO 0.42 1.11 -0.75 -0.32 -0.34 0.00 0.00 178.44 178.56 3kwg s MET 106 N -4.79 1.34 0.35 1.25 1.75 -1.26 -5.00 119.30 112.94 3kwg s MET 106 Ca -0.12 -2.14 -0.27 0.00 -1.25 0.00 0.00 55.69 51.91 3kwg s MET 106 Cb 0.12 -2.30 -0.09 0.00 2.84 0.00 0.00 34.83 35.40 3kwg s MET 106 CO 0.85 -1.21 1.17 -1.25 -0.65 0.00 0.00 175.02 173.94 3kwg s PRO 107 N 0.14 4.30 -0.02 4.11 0.04 -1.26 -0.28 135.00 142.04 3kwg s PRO 107 Ca 0.20 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.14 3kwg s PRO 107 Cb -0.18 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.46 3kwg s PRO 107 CO -0.04 -0.12 -0.02 0.21 0.04 0.00 0.00 177.00 177.07 3kwg s LYS 108 N -1.94 0.30 -0.01 4.56 2.20 -0.40 -4.87 119.74 119.58 3kwg s LYS 108 Ca 0.52 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 56.14 3kwg s LYS 108 Cb -0.33 -0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 35.61 3kwg s LYS 108 CO 0.42 -0.03 -0.15 -1.14 -0.36 0.00 0.00 175.35 174.09 3kwg s GLN 109 N 0.46 1.24 -0.04 4.03 0.74 -1.26 -1.16 119.66 123.68 3kwg s GLN 109 Ca -0.05 -0.53 -0.00 0.00 0.05 0.00 0.00 55.36 54.84 3kwg s GLN 109 Cb -0.07 -1.19 0.03 0.00 1.10 0.00 0.00 33.01 32.87 3kwg s GLN 109 CO -0.01 0.31 0.01 0.21 -0.55 0.00 0.00 175.29 175.25 3kwg s LYS 110 N -0.29 0.31 -0.30 1.67 2.47 0.66 -5.01 119.74 119.25 3kwg s LYS 110 Ca 0.05 0.11 -0.18 0.00 -1.56 0.00 0.00 55.97 54.39 3kwg s LYS 110 Cb -0.06 -0.56 -0.02 0.00 -1.46 0.00 0.00 37.83 35.73 3kwg s LYS 110 CO -0.00 -0.18 0.51 0.08 0.16 0.00 0.00 175.35 175.91 3kwg s VAL 111 N 1.28 5.05 -0.42 4.02 1.01 -1.26 0.05 120.40 130.13 3kwg s VAL 111 Ca -0.06 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.57 3kwg s VAL 111 Cb -0.13 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.48 3kwg s VAL 111 CO -0.02 -0.05 0.15 -0.70 0.00 0.00 0.00 175.10 174.48 3kwg s GLU 112 N 2.34 1.74 7.39 2.72 2.56 -0.21 -4.99 118.70 130.25 3kwg s GLU 112 Ca 0.20 -2.15 0.00 0.00 0.00 0.00 0.00 54.97 53.02 3kwg s GLU 112 Cb -0.15 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.67 3kwg s GLU 112 CO 0.11 -1.02 0.00 0.41 -0.56 0.00 0.00 175.26 174.20 3kwg n GLY 113 N 3.88 2.65 1.00 -1.50 0.00 -1.26 -2.74 105.19 107.22 3kwg n GLY 113 Ca 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.83 3kwg n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kwg n PRO 114 N 13.42 2.52 -4.79 1.61 -0.04 -1.26 -4.90 135.00 141.57 3kwg n PRO 114 Ca 0.00 -1.57 -0.28 0.00 -0.04 0.00 0.00 63.50 61.61 3kwg n PRO 114 Cb 0.00 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 3kwg n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kwg s LEU 115 N -1.25 2.17 -0.22 1.53 1.43 -1.11 -1.89 118.68 119.34 3kwg s LEU 115 Ca 0.28 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3kwg s LEU 115 Cb 0.18 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 3kwg s LEU 115 CO 0.13 0.22 0.06 0.00 0.23 0.00 0.00 176.35 176.99 3kwg s ILE 117 N 1.11 3.44 0.05 0.00 1.09 0.11 -0.75 121.20 126.26 3kwg s ILE 117 Ca 0.04 -0.49 0.06 0.00 -1.10 0.00 0.00 60.65 59.16 3kwg s ILE 117 Cb -0.14 -2.53 -0.03 0.00 -1.06 0.00 0.00 42.46 38.70 3kwg s ILE 117 CO 0.03 0.46 -0.17 -0.13 -0.10 0.00 0.00 174.94 175.03 3kwg s ARG 118 N 0.98 1.10 0.02 2.79 0.52 -0.48 -0.24 118.95 123.64 3kwg s ARG 118 Ca -0.00 -0.91 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 3kwg s ARG 118 Cb -0.15 -1.19 -0.00 0.00 0.52 0.00 0.00 34.95 34.13 3kwg s ARG 118 CO 0.00 0.29 0.12 -1.50 0.02 0.00 0.00 175.30 174.23 3kwg s ILE 119 N -0.93 0.10 -0.40 1.52 2.07 -0.31 -1.21 121.20 122.04 3kwg s ILE 119 Ca 0.04 -0.83 -0.19 0.00 -1.41 0.00 0.00 60.65 58.26 3kwg s ILE 119 Cb -0.09 -0.59 0.01 0.00 0.13 0.00 0.00 42.46 41.93 3kwg s ILE 119 CO 0.02 -0.46 0.52 -0.62 -1.91 0.00 0.00 174.94 172.49 3kwg s ASP 120 N -1.66 6.27 0.30 4.50 2.15 -0.74 -1.27 116.67 126.23 3kwg s ASP 120 Ca -0.11 -0.37 0.24 0.00 0.43 0.00 0.00 52.55 52.74 3kwg s ASP 120 Cb -0.05 -2.27 1.06 0.00 -0.30 0.00 0.00 42.92 41.36 3kwg s ASP 120 CO -0.01 -0.61 1.74 1.56 -0.17 0.00 0.00 175.17 177.68 3kwg h GLN 121 N 8.69 0.00 0.00 4.34 4.20 -0.98 -2.61 115.11 128.75 3kwg h GLN 121 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3kwg h GLN 121 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3kwg h GLN 121 CO 0.82 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.98 3kwg h ALA 122 N 2.20 1.00 -2.11 3.87 0.00 -1.93 -3.44 119.26 118.84 3kwg h ALA 122 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3kwg h ALA 122 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3kwg h ALA 122 CO 0.00 0.00 0.71 0.42 0.00 0.00 0.00 179.25 180.38 3kwg s ILE 123 N -3.20 4.69 0.04 0.00 -1.09 -0.99 -5.02 121.20 115.64 3kwg s ILE 123 Ca 0.08 1.82 -0.05 0.00 -2.23 0.00 0.00 60.65 60.27 3kwg s ILE 123 Cb 0.11 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 3kwg s ILE 123 CO 0.55 -0.21 0.08 -0.04 -1.23 0.00 0.00 174.94 174.09 3kwg s MET 124 N 3.18 0.58 -1.33 2.79 -1.94 -1.26 -4.85 119.30 116.48 3kwg s MET 124 Ca 0.41 -0.77 -0.05 0.00 -1.71 0.00 0.00 55.69 53.57 3kwg s MET 124 Cb -0.15 0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.92 3kwg s MET 124 CO 0.08 -0.14 0.62 -0.25 -0.01 0.00 0.00 175.02 175.32 3kwg n ASP 125 N 0.77 -5.60 -4.33 3.03 8.00 -1.12 -4.93 116.55 112.37 3kwg n ASP 125 Ca -0.19 -0.29 -0.21 0.00 0.71 0.00 0.00 54.79 54.81 3kwg n ASP 125 Cb 0.58 -4.39 -0.11 0.00 -0.02 0.00 0.00 41.12 37.18 3kwg n ASP 125 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kwg s LYS 126 N -5.65 1.27 -0.10 -1.24 1.02 -1.25 -4.96 119.74 108.83 3kwg s LYS 126 Ca 0.31 -1.42 -0.20 0.00 0.02 0.00 0.00 55.97 54.67 3kwg s LYS 126 Cb -0.13 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 3kwg s LYS 126 CO 0.38 0.26 0.56 -0.80 -0.92 0.00 0.00 175.35 174.83 3kwg s ASN 127 N -2.74 6.80 -0.00 2.83 0.01 -1.26 -0.28 114.94 120.30 3kwg s ASN 127 Ca 0.16 0.96 0.05 0.00 -0.71 0.00 0.00 52.86 53.33 3kwg s ASN 127 Cb -0.05 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 3kwg s ASN 127 CO 0.07 -0.05 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.81 3kwg s ILE 128 N 0.70 1.36 -0.11 0.60 1.01 0.88 -3.10 121.20 122.53 3kwg s ILE 128 Ca 0.30 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3kwg s ILE 128 Cb -0.16 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 3kwg s ILE 128 CO 0.13 0.33 -0.21 -0.32 0.00 0.00 0.00 174.94 174.88 3kwg s MET 129 N -0.54 3.15 -0.08 2.79 -2.45 0.12 -0.09 119.30 122.19 3kwg s MET 129 Ca 0.06 -0.82 -0.20 0.00 -1.25 0.00 0.00 55.69 53.48 3kwg s MET 129 Cb -0.07 -2.40 -0.04 0.00 1.25 0.00 0.00 34.83 33.57 3kwg s MET 129 CO -0.00 0.18 0.54 -0.51 1.05 0.00 0.00 175.02 176.28 3kwg s LEU 130 N 0.36 4.32 0.04 4.11 1.43 0.40 -0.79 118.68 128.54 3kwg s LEU 130 Ca -0.16 0.96 0.05 0.00 -1.03 0.00 0.00 54.13 53.95 3kwg s LEU 130 Cb -0.17 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 3kwg s LEU 130 CO 0.08 0.01 -0.14 -0.54 0.23 0.00 0.00 176.35 175.99 3kwg s LYS 131 N 0.43 0.93 0.02 1.70 1.02 -0.28 -0.98 119.74 122.58 3kwg s LYS 131 Ca 0.29 -0.76 -0.06 0.00 0.02 0.00 0.00 55.97 55.46 3kwg s LYS 131 Cb -0.16 -0.93 -0.01 0.00 -0.52 0.00 0.00 37.83 36.21 3kwg s LYS 131 CO 0.13 0.23 0.11 0.00 -0.92 0.00 0.00 175.35 174.90 3kwg s ALA 132 N -0.86 -0.17 -0.16 5.17 0.00 -1.26 -0.62 121.76 123.85 3kwg s ALA 132 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 3kwg s ALA 132 Cb -0.08 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 3kwg s ALA 132 CO 0.01 -0.27 -0.10 -0.80 0.00 0.00 0.00 175.76 174.60 3kwg s ASN 133 N -1.79 4.08 -0.02 0.00 -0.87 0.23 -2.04 114.94 114.54 3kwg s ASN 133 Ca -0.10 -0.36 -0.29 0.00 -1.57 0.00 0.00 52.86 50.54 3kwg s ASN 133 Cb -0.04 -1.65 0.08 0.00 -0.02 0.00 0.00 41.25 39.62 3kwg s ASN 133 CO -0.02 0.09 0.74 0.72 -2.57 0.00 0.00 177.10 176.07 3kwg s PHE 134 N 0.79 -0.54 0.46 2.20 -0.12 -0.35 -0.44 117.98 119.98 3kwg s PHE 134 Ca -0.04 0.75 -0.13 0.00 -0.05 0.00 0.00 56.93 57.46 3kwg s PHE 134 Cb -0.15 0.47 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 3kwg s PHE 134 CO 0.01 -0.61 0.88 -1.54 -0.05 0.00 0.00 175.22 173.91 3kwg s SER 135 N -1.68 6.56 0.04 1.98 1.04 -0.01 -0.24 113.70 121.39 3kwg s SER 135 Ca -0.05 1.35 0.06 0.00 0.48 0.00 0.00 55.95 57.79 3kwg s SER 135 Cb -0.00 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 3kwg s SER 135 CO 0.01 -0.50 -0.17 -0.69 0.98 0.00 0.00 173.24 172.87 3kwg s VAL 136 N -2.51 1.34 -0.07 5.02 1.01 0.08 -0.34 120.40 124.93 3kwg s VAL 136 Ca 0.55 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 3kwg s VAL 136 Cb -0.10 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.12 3kwg s VAL 136 CO 0.32 0.09 0.31 -0.51 0.00 0.00 0.00 175.10 175.31 3kwg s ILE 137 N -0.82 0.03 -1.40 2.22 2.07 -0.55 -4.80 121.20 117.94 3kwg s ILE 137 Ca 0.04 -0.24 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 3kwg s ILE 137 Cb -0.08 -0.53 0.06 0.00 0.13 0.00 0.00 42.46 42.04 3kwg s ILE 137 CO 0.01 -0.13 0.61 0.49 -1.91 0.00 0.00 174.94 174.01 3kwg n PHE 138 N 2.12 -1.92 -1.00 3.50 3.01 -1.26 -1.99 117.46 119.91 3kwg n PHE 138 Ca -0.17 0.56 0.00 0.00 1.01 0.00 0.00 57.45 58.85 3kwg n PHE 138 Cb 0.57 -3.50 0.00 0.00 -0.01 0.00 0.00 39.48 36.54 3kwg n PHE 138 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3kwg n ASP 139 N -2.44 -2.00 -4.17 4.37 2.03 -1.26 -5.02 116.55 108.05 3kwg n ASP 139 Ca -0.03 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.12 3kwg n ASP 139 Cb 0.56 -0.37 -0.11 0.00 -0.72 0.00 0.00 41.12 40.47 3kwg n ASP 139 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3kwg s ARG 140 N -0.02 0.83 0.19 -0.67 1.81 -0.84 -4.69 118.95 115.56 3kwg s ARG 140 Ca 0.00 -1.04 -0.32 0.00 -1.72 0.00 0.00 55.73 52.65 3kwg s ARG 140 Cb 0.00 -0.69 -0.15 0.00 -0.45 0.00 0.00 34.95 33.66 3kwg s ARG 140 CO 0.00 0.14 1.21 -0.11 -0.68 0.00 0.00 175.30 175.86 3kwg n LEU 141 N 0.96 1.89 -0.01 2.53 0.00 -0.10 -1.48 117.00 120.77 3kwg n LEU 141 Ca -0.19 1.14 -0.04 0.00 0.00 0.00 0.00 56.01 56.93 3kwg n LEU 141 Cb 0.56 -1.27 -0.01 0.00 0.00 0.00 0.00 43.42 42.70 3kwg n LEU 141 CO 0.24 -1.12 -0.30 1.21 0.00 0.00 0.00 177.39 177.42 3kwg n GLU 142 N 1.78 0.23 -3.94 1.96 2.13 0.54 -4.62 120.64 118.73 3kwg n GLU 142 Ca 0.14 0.09 -0.24 0.00 0.66 0.00 0.00 57.16 57.81 3kwg n GLU 142 Cb 0.26 -0.89 -0.17 0.00 0.27 0.00 0.00 31.44 30.92 3kwg n GLU 142 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3kwg s THR 143 N -2.33 0.72 0.04 6.31 2.01 -1.19 -4.50 115.64 116.70 3kwg s THR 143 Ca -0.13 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 3kwg s THR 143 Cb 0.02 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 3kwg s THR 143 CO 0.19 0.31 1.00 -0.22 -0.69 0.00 0.00 174.62 175.21 3kwg s LEU 144 N 1.62 4.41 -0.20 4.42 2.96 -1.26 -0.83 118.68 129.80 3kwg s LEU 144 Ca 0.01 1.75 -0.20 0.00 -0.22 0.00 0.00 54.13 55.47 3kwg s LEU 144 Cb -0.13 -3.58 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 3kwg s LEU 144 CO -0.05 -0.23 0.17 0.40 -1.32 0.00 0.00 176.35 175.32 3kwg h ILE 145 N 4.53 0.80 -1.60 6.68 2.04 -1.13 -3.44 117.51 125.39 3kwg h ILE 145 Ca -0.42 -2.01 0.06 0.00 1.00 0.00 0.00 64.86 63.49 3kwg h ILE 145 Cb 1.22 1.92 -0.25 0.00 -0.74 0.00 0.00 36.82 38.96 3kwg h ILE 145 CO 0.75 0.27 0.47 -0.22 0.00 0.00 0.00 178.15 179.42 3kwg s LEU 146 N -7.93 -0.43 -0.05 1.44 2.96 -1.03 -4.46 118.68 109.18 3kwg s LEU 146 Ca -0.27 0.75 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 3kwg s LEU 146 Cb 0.05 1.89 -0.00 0.00 0.50 0.00 0.00 46.19 48.62 3kwg s LEU 146 CO 0.54 -0.20 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.95 3kwg s LEU 147 N -0.12 1.95 0.07 -0.68 0.20 -0.82 -0.60 118.68 118.67 3kwg s LEU 147 Ca 0.02 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.49 3kwg s LEU 147 Cb -0.04 -1.06 -0.03 0.00 -0.43 0.00 0.00 46.19 44.64 3kwg s LEU 147 CO -0.04 0.17 -0.13 -0.13 -0.29 0.00 0.00 176.35 175.94 3kwg s ARG 148 N -0.01 0.76 -0.22 1.98 0.52 0.20 -1.18 118.95 121.01 3kwg s ARG 148 Ca -0.04 -0.92 -0.10 0.00 -0.52 0.00 0.00 55.73 54.15 3kwg s ARG 148 Cb -0.12 -0.71 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 3kwg s ARG 148 CO 0.03 0.15 0.14 0.00 0.02 0.00 0.00 175.30 175.64 3kwg s ALA 149 N -1.31 3.65 -0.06 2.13 0.00 -0.26 -1.13 121.76 124.77 3kwg s ALA 149 Ca -0.04 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.19 3kwg s ALA 149 Cb -0.10 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 3kwg s ALA 149 CO 0.02 -0.01 -0.22 -0.06 0.00 0.00 0.00 175.76 175.49 3kwg s PHE 150 N 0.70 2.52 0.87 0.00 0.40 0.03 -1.19 117.98 121.30 3kwg s PHE 150 Ca 0.08 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.66 3kwg s PHE 150 Cb -0.12 -1.63 0.11 0.00 0.51 0.00 0.00 43.02 41.89 3kwg s PHE 150 CO 0.01 -0.16 1.13 0.95 0.70 0.00 0.00 175.22 177.86 3kwg s THR 151 N -0.19 2.29 0.53 0.64 -4.23 -0.23 -0.70 115.64 113.74 3kwg s THR 151 Ca -0.02 0.09 0.23 0.00 -1.18 0.00 0.00 61.69 60.81 3kwg s THR 151 Cb -0.13 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.19 3kwg s THR 151 CO 0.03 -0.12 2.05 -0.33 -0.54 0.00 0.00 174.62 175.71 3kwg h GLU 152 N -1.34 0.00 -0.00 3.99 5.08 -1.89 0.75 114.58 121.16 3kwg h GLU 152 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3kwg h GLU 152 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3kwg h GLU 152 CO 0.62 0.00 -0.03 0.39 -1.00 0.00 0.00 179.01 178.99 3kwg n GLU 153 N -4.38 1.04 -0.76 2.33 4.71 -1.26 -4.92 120.64 117.39 3kwg n GLU 153 Ca 0.05 -0.29 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 3kwg n GLU 153 Cb 0.44 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 3kwg n GLU 153 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kwg n GLY 154 N 1.14 0.59 3.76 0.62 0.00 0.26 -5.05 105.19 106.50 3kwg n GLY 154 Ca 0.20 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3kwg n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwg s ALA 155 N -2.00 3.38 -0.12 4.61 0.00 -1.26 -4.78 121.76 121.59 3kwg s ALA 155 Ca 0.00 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 3kwg s ALA 155 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3kwg s ALA 155 CO 0.00 0.19 0.80 0.42 0.00 0.00 0.00 175.76 177.17 3kwg s ILE 156 N -0.84 4.94 0.00 0.00 1.01 -1.26 -1.07 121.20 123.97 3kwg s ILE 156 Ca 0.39 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.65 3kwg s ILE 156 Cb -0.24 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3kwg s ILE 156 CO 0.28 0.11 0.36 1.33 0.00 0.00 0.00 174.94 177.02 3kwg n VAL 157 N 4.35 0.09 -3.55 2.92 0.24 -0.33 -4.45 118.33 117.59 3kwg n VAL 157 Ca 0.03 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.34 61.93 3kwg n VAL 157 Cb 0.50 1.33 -0.02 0.00 -1.47 0.00 0.00 33.84 34.18 3kwg n VAL 157 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kwg s GLY 158 N -0.09 -0.42 -0.13 7.63 0.00 -1.24 -1.78 107.32 111.29 3kwg s GLY 158 Ca 0.00 0.81 -0.25 0.00 0.00 0.00 0.00 44.72 45.28 3kwg s GLY 158 CO 0.00 0.26 0.61 1.85 0.00 0.00 0.00 173.10 175.82 3kwg s GLU 159 N -3.17 0.86 -0.17 2.90 2.12 -0.35 -1.10 118.70 119.79 3kwg s GLU 159 Ca 0.06 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.87 3kwg s GLU 159 Cb -0.01 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.81 3kwg s GLU 159 CO -0.07 -0.20 -0.19 0.42 -0.54 0.00 0.00 175.26 174.68 3kwg s ILE 160 N -0.54 1.95 -0.03 -3.70 1.01 -0.32 -1.38 121.20 118.19 3kwg s ILE 160 Ca -0.07 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.76 3kwg s ILE 160 Cb -0.03 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3kwg s ILE 160 CO 0.05 0.52 -0.18 -0.55 0.00 0.00 0.00 174.94 174.79 3kwg s SER 161 N 1.27 2.14 0.44 3.58 0.15 0.07 -1.95 113.70 119.40 3kwg s SER 161 Ca 0.03 -0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.10 3kwg s SER 161 Cb -0.13 -0.44 -0.08 0.00 -1.71 0.00 0.00 66.02 63.66 3kwg s SER 161 CO -0.11 0.18 1.30 -2.16 1.20 0.00 0.00 173.24 173.66 3kwg s PRO 162 N -0.17 3.75 -0.06 5.44 0.04 -1.26 0.02 135.00 142.77 3kwg s PRO 162 Ca 0.01 2.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 3kwg s PRO 162 Cb -0.09 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3kwg s PRO 162 CO 0.01 -0.66 0.67 -0.51 0.04 0.00 0.00 177.00 176.54 3kwg s LEU 163 N -2.76 4.33 0.46 -3.56 1.43 -0.79 -4.82 118.68 112.96 3kwg s LEU 163 Ca 0.61 1.15 0.15 0.00 -1.03 0.00 0.00 54.13 55.01 3kwg s LEU 163 Cb -0.37 -3.03 1.11 0.00 0.03 0.00 0.00 46.19 43.93 3kwg s LEU 163 CO 0.47 -0.07 2.04 -0.65 0.23 0.00 0.00 176.35 178.36 3kwg h PRO 164 N 6.60 0.27 0.00 1.29 0.11 -1.95 -2.62 132.00 135.70 3kwg h PRO 164 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kwg h PRO 164 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kwg h PRO 164 CO 0.75 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 179.38 3kwg h SER 165 N 0.28 0.00 -3.31 -2.05 4.64 -1.96 -3.35 113.55 107.80 3kwg h SER 165 Ca 0.19 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.89 3kwg h SER 165 Cb 0.38 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.07 3kwg h SER 165 CO -0.04 0.00 -0.71 -0.36 -0.87 0.00 0.00 176.83 174.85 3kwg s PHE 166 N -3.28 2.52 0.23 4.77 0.40 -0.99 -5.10 117.98 116.52 3kwg s PHE 166 Ca 0.06 -2.81 -0.30 0.00 -0.60 0.00 0.00 56.93 53.28 3kwg s PHE 166 Cb 0.09 -2.12 -0.09 0.00 0.51 0.00 0.00 43.02 41.41 3kwg s PHE 166 CO 0.55 -0.71 1.19 -2.14 0.70 0.00 0.00 175.22 174.82 3kwg s PRO 167 N -0.38 4.50 0.00 0.24 0.02 -1.25 -4.46 135.00 133.68 3kwg s PRO 167 Ca 0.22 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3kwg s PRO 167 Cb -0.13 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3kwg s PRO 167 CO -0.09 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3kwg n GLY 168 N 1.80 0.15 3.43 0.52 0.00 -1.26 -5.14 105.19 104.69 3kwg n GLY 168 Ca 0.03 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 3kwg n GLY 168 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kwg s HIS 169 N -0.13 0.57 0.44 1.61 -3.43 -1.26 -4.88 115.29 108.21 3kwg s HIS 169 Ca 0.00 -0.90 0.06 0.00 -0.80 0.00 0.00 55.06 53.42 3kwg s HIS 169 Cb 0.00 -0.06 -0.05 0.00 -1.43 0.00 0.00 32.58 31.04 3kwg s HIS 169 CO 0.00 -0.84 0.09 0.95 -2.00 0.00 0.00 174.74 172.94 3kwg s THR 170 N -4.04 1.94 0.50 -5.38 -4.23 -1.26 -4.94 115.64 98.23 3kwg s THR 170 Ca 0.25 -1.87 0.15 0.00 -1.18 0.00 0.00 61.69 59.04 3kwg s THR 170 Cb 0.02 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.33 3kwg s THR 170 CO 0.08 0.00 2.14 -0.29 -0.54 0.00 0.00 174.62 176.00 3kwg h ILE 171 N 1.52 1.02 -0.59 2.99 2.10 -1.82 -1.99 117.51 120.74 3kwg h ILE 171 Ca -0.43 -0.03 -0.06 0.00 1.08 0.00 0.00 64.86 65.41 3kwg h ILE 171 Cb 1.26 0.93 -0.02 0.00 -1.09 0.00 0.00 36.82 37.90 3kwg h ILE 171 CO 0.75 0.02 0.12 -0.33 -1.08 0.00 0.00 178.15 177.62 3kwg h GLU 172 N 0.08 0.96 -0.37 2.19 3.07 -1.95 0.72 114.58 119.27 3kwg h GLU 172 Ca 0.02 -0.25 0.01 0.00 -0.50 0.00 0.00 59.36 58.65 3kwg h GLU 172 Cb -0.01 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 3kwg h GLU 172 CO -0.00 0.90 0.22 -0.44 -1.40 0.00 0.00 179.01 178.28 3kwg h ASP 173 N 0.86 0.36 0.03 1.42 3.32 -1.78 -1.08 116.42 119.55 3kwg h ASP 173 Ca 0.18 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3kwg h ASP 173 Cb 0.39 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kwg h ASP 173 CO 0.01 0.26 -0.01 0.58 -1.72 0.00 0.00 179.24 178.35 3kwg h VAL 174 N 0.45 0.99 -0.65 -1.35 2.07 -1.15 -1.19 116.25 115.41 3kwg h VAL 174 Ca 0.14 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3kwg h VAL 174 Cb -0.00 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3kwg h VAL 174 CO -0.06 0.01 0.37 0.11 0.02 0.00 0.00 177.57 178.03 3kwg h LYS 175 N -0.06 0.69 -0.37 1.57 1.57 -0.77 -0.03 116.57 119.16 3kwg h LYS 175 Ca -0.00 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3kwg h LYS 175 Cb 0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3kwg h LYS 175 CO 0.01 0.45 0.16 -0.91 -0.57 0.00 0.00 179.45 178.59 3kwg h ASN 176 N 0.71 0.22 -0.51 0.86 2.35 -0.97 -1.24 115.58 116.99 3kwg h ASN 176 Ca 0.28 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3kwg h ASN 176 Cb 0.13 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3kwg h ASN 176 CO -0.16 0.17 0.30 0.00 -1.65 0.00 0.00 177.43 176.09 3kwg h ALA 177 N 1.21 0.65 -0.51 -0.83 0.00 -0.79 -2.03 119.26 116.96 3kwg h ALA 177 Ca 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3kwg h ALA 177 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3kwg h ALA 177 CO -0.13 0.14 0.28 0.82 0.00 0.00 0.00 179.25 180.36 3kwg h ILE 178 N 0.68 1.00 -0.70 0.00 2.04 -0.75 -0.08 117.51 119.70 3kwg h ILE 178 Ca 0.18 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3kwg h ILE 178 Cb 0.00 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 3kwg h ILE 178 CO -0.03 0.10 0.33 1.23 0.00 0.00 0.00 178.15 179.78 3kwg h GLY 179 N 0.55 1.04 0.82 5.37 0.00 -0.99 0.14 103.07 110.01 3kwg h GLY 179 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3kwg h GLY 179 CO -0.13 0.03 0.00 -2.08 0.00 0.00 0.00 176.54 174.37 3kwg h VAL 180 N 0.56 1.14 -0.45 4.60 2.07 -0.62 -1.07 116.25 122.49 3kwg h VAL 180 Ca 0.35 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3kwg h VAL 180 Cb 0.39 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3kwg h VAL 180 CO -0.29 0.11 0.30 0.25 0.02 0.00 0.00 177.57 177.97 3kwg h LEU 181 N -0.16 0.52 -0.34 2.57 5.85 -0.80 0.71 115.31 123.65 3kwg h LEU 181 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3kwg h LEU 181 Cb 0.18 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3kwg h LEU 181 CO -0.00 0.38 0.15 0.40 -0.34 0.00 0.00 178.44 179.03 3kwg h ILE 182 N 0.62 1.17 -0.48 4.05 2.04 -0.97 -1.08 117.51 122.86 3kwg h ILE 182 Ca 0.17 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3kwg h ILE 182 Cb -0.07 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3kwg h ILE 182 CO -0.04 0.18 0.17 1.23 0.00 0.00 0.00 178.15 179.70 3kwg h GLY 183 N 0.41 0.64 1.01 5.37 0.00 -0.95 -1.02 103.07 108.52 3kwg h GLY 183 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3kwg h GLY 183 CO -0.01 0.01 0.47 -1.33 0.00 0.00 0.00 176.54 175.68 3kwg h GLY 184 N 0.35 1.12 1.19 4.60 0.00 -0.56 -1.48 103.07 108.29 3kwg h GLY 184 Ca 0.23 -0.46 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 3kwg h GLY 184 CO -0.23 0.45 -0.77 1.41 0.00 0.00 0.00 176.54 177.39 3kwg h LEU 185 N 1.06 0.94 -0.98 3.11 3.38 -1.00 -3.23 115.31 118.58 3kwg h LEU 185 Ca 0.28 -0.61 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 3kwg h LEU 185 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3kwg h LEU 185 CO -0.05 1.42 -0.45 -0.33 0.09 0.00 0.00 178.44 179.12 3kwg h GLU 186 N 0.54 0.13 -0.09 1.13 5.08 -1.15 -2.20 114.58 118.04 3kwg h GLU 186 Ca -0.05 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3kwg h GLU 186 Cb 1.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 3kwg h GLU 186 CO 0.16 0.56 0.09 0.00 -1.00 0.00 0.00 179.01 178.82 3kwg h ALA 187 N 1.43 1.71 -0.54 3.43 0.00 -1.29 -0.80 119.26 123.21 3kwg h ALA 187 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kwg h ALA 187 Cb 0.84 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3kwg h ALA 187 CO 0.06 -0.13 0.01 0.09 0.00 0.00 0.00 179.25 179.28 3kwg n ASN 188 N -3.92 5.44 -1.59 0.00 3.02 -0.85 -4.92 115.26 112.43 3kwg n ASN 188 Ca -0.01 -2.88 -0.15 0.00 -0.03 0.00 0.00 54.58 51.51 3kwg n ASN 188 Cb 0.19 -0.68 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 3kwg n ASN 188 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kwg n ASP 189 N 0.57 -4.50 -4.90 6.41 8.00 -0.31 -3.21 116.55 118.61 3kwg n ASP 189 Ca 0.26 0.04 -0.30 0.00 0.71 0.00 0.00 54.79 55.50 3kwg n ASP 189 Cb 1.15 -3.60 -0.04 0.00 -0.02 0.00 0.00 41.12 38.61 3kwg n ASP 189 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kwg s ASN 190 N -2.41 6.50 -0.17 -2.24 0.01 -1.04 -2.81 114.94 112.78 3kwg s ASN 190 Ca 0.00 0.73 -0.07 0.00 -0.71 0.00 0.00 52.86 52.81 3kwg s ASN 190 Cb 0.00 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3kwg s ASN 190 CO 0.00 -0.11 0.07 -0.89 -1.51 0.00 0.00 177.10 174.66 3kwg s THR 191 N -1.93 4.90 -0.16 1.60 2.01 0.61 -4.21 115.64 118.47 3kwg s THR 191 Ca 0.44 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.46 3kwg s THR 191 Cb -0.11 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.22 3kwg s THR 191 CO 0.27 0.48 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.78 3kwg s VAL 192 N 0.17 2.01 0.20 3.82 1.01 -1.26 -0.08 120.40 126.27 3kwg s VAL 192 Ca 0.05 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3kwg s VAL 192 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3kwg s VAL 192 CO 0.00 0.54 0.06 -0.13 0.00 0.00 0.00 175.10 175.57 3kwg s ARG 193 N 1.11 2.58 0.17 2.72 0.52 0.87 -4.98 118.95 121.94 3kwg s ARG 193 Ca 0.00 -1.09 0.09 0.00 -0.52 0.00 0.00 55.73 54.21 3kwg s ARG 193 Cb -0.14 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3kwg s ARG 193 CO -0.08 0.44 -0.14 0.14 0.02 0.00 0.00 175.30 175.67 3kwg s VAL 194 N -1.89 2.95 0.82 3.52 -7.23 -1.26 -0.45 120.40 116.86 3kwg s VAL 194 Ca 0.30 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 3kwg s VAL 194 Cb -0.09 -2.43 0.09 0.00 0.56 0.00 0.00 36.38 34.51 3kwg s VAL 194 CO 0.21 -0.07 1.14 -0.94 -0.31 0.00 0.00 175.10 175.13 3kwg s SER 195 N -2.65 3.79 0.23 4.85 1.04 -0.16 -4.75 113.70 116.06 3kwg s SER 195 Ca 0.23 2.10 -0.08 0.00 0.48 0.00 0.00 55.95 58.68 3kwg s SER 195 Cb -0.09 -2.56 0.38 0.00 0.10 0.00 0.00 66.02 63.85 3kwg s SER 195 CO 0.13 -2.52 1.68 0.11 0.98 0.00 0.00 173.24 173.62 3kwg h LYS 196 N -1.21 0.21 -0.52 4.02 1.79 -2.00 -0.89 116.57 117.98 3kwg h LYS 196 Ca -0.44 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 57.91 3kwg h LYS 196 Cb 1.26 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 3kwg h LYS 196 CO 0.47 0.14 -0.09 1.79 -1.08 0.00 0.00 179.45 180.68 3kwg h THR 197 N 0.22 1.27 -0.67 -0.16 1.35 -1.97 -1.73 112.91 111.21 3kwg h THR 197 Ca 0.37 -1.23 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 3kwg h THR 197 Cb 0.61 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 3kwg h THR 197 CO -0.50 0.43 0.36 -0.07 -0.25 0.00 0.00 175.52 175.49 3kwg h LEU 198 N 0.84 0.85 -0.36 3.87 3.38 -1.76 0.59 115.31 122.71 3kwg h LEU 198 Ca 0.14 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kwg h LEU 198 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3kwg h LEU 198 CO 0.04 0.71 0.21 1.56 0.09 0.00 0.00 178.44 181.05 3kwg h GLN 199 N 0.92 0.41 -0.48 1.13 4.20 -1.06 0.34 115.11 120.57 3kwg h GLN 199 Ca 0.23 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 3kwg h GLN 199 Cb 0.06 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3kwg h GLN 199 CO -0.04 0.27 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.18 3kwg h ARG 200 N 0.42 0.93 -0.00 1.46 9.65 -1.08 -3.32 114.38 122.45 3kwg h ARG 200 Ca 0.15 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3kwg h ARG 200 Cb 0.02 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3kwg h ARG 200 CO -0.08 1.02 -0.79 1.19 2.80 0.00 0.00 179.97 184.11 3kwg n PHE 201 N -4.22 0.00 0.00 2.20 3.72 0.18 -4.87 117.46 114.47 3kwg n PHE 201 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kwg n PHE 201 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3kwg n PHE 201 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kwg n ALA 202 N -1.38 1.21 -2.88 4.37 0.00 -0.17 -0.93 120.51 120.74 3kwg n ALA 202 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 3kwg n ALA 202 Cb 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.60 3kwg n ALA 202 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kwg s TRP 203 N -1.72 3.20 0.00 0.00 -0.11 0.10 -4.93 118.94 115.49 3kwg s TRP 203 Ca 0.00 -0.76 0.00 0.00 1.22 0.00 0.00 56.10 56.56 3kwg s TRP 203 Cb 0.00 -2.38 0.00 0.00 -1.50 0.00 0.00 33.47 29.59 3kwg s TRP 203 CO 0.00 -0.54 0.00 0.41 -4.62 0.00 0.00 176.95 172.20 3kwg n GLY 204 N 4.98 4.01 0.00 5.86 0.00 -1.26 -4.16 105.19 114.62 3kwg n GLY 204 Ca -0.13 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 44.76 3kwg n GLY 204 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76