#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2i s GLN 95 N 0.00 3.76 -0.14 -0.78 -0.21 -1.26 -5.10 119.66 115.93 2k2i s GLN 95 Ca 0.00 0.26 -0.16 0.00 0.02 0.00 0.00 55.36 55.48 2k2i s GLN 95 Cb 0.00 -2.57 0.04 0.00 1.00 0.00 0.00 33.01 31.48 2k2i s GLN 95 CO 0.00 0.20 0.45 0.21 -2.12 0.00 0.00 175.29 174.02 2k2i s LYS 96 N -3.28 0.58 0.13 2.91 2.36 -1.26 -5.17 119.74 116.00 2k2i s LYS 96 Ca 0.48 0.49 0.11 0.00 -2.55 0.00 0.00 55.97 54.50 2k2i s LYS 96 Cb -0.11 0.28 -0.04 0.00 -1.05 0.00 0.00 37.83 36.91 2k2i s LYS 96 CO 0.26 -0.10 -0.27 -1.64 1.55 0.00 0.00 175.35 175.15 2k2i s MET 97 N -0.06 1.42 0.00 4.03 -1.94 -1.26 -5.05 119.30 116.44 2k2i s MET 97 Ca -0.03 -1.34 -0.01 0.00 -1.71 0.00 0.00 55.69 52.61 2k2i s MET 97 Cb -0.03 -1.90 -0.01 0.00 2.01 0.00 0.00 34.83 34.90 2k2i s MET 97 CO 0.02 0.45 -0.03 0.43 -0.01 0.00 0.00 175.02 175.88 2k2i n SER 98 N 0.95 0.42 0.00 3.03 7.64 -1.26 -4.95 113.62 119.46 2k2i n SER 98 Ca -0.18 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2k2i n SER 98 Cb 0.53 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2k2i n SER 98 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2k2i n GLU 99 N -3.22 0.00 0.00 1.43 -0.00 -1.26 -5.14 120.64 112.45 2k2i n GLU 99 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2k2i n GLU 99 Cb 0.41 -0.77 0.00 0.00 -0.00 0.00 0.00 31.44 31.08 2k2i n GLU 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k2i n LYS 100 N -2.27 0.00 0.00 3.44 5.02 -1.26 -5.10 118.16 117.99 2k2i n LYS 100 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2k2i n LYS 100 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 2k2i n LYS 100 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k2i n ASP 101 N 0.00 0.00 0.00 4.39 -0.08 -1.26 -4.70 116.55 114.90 2k2i n ASP 101 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2k2i n ASP 101 Cb 0.00 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.44 2k2i n ASP 101 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2k2i n THR 102 N -2.22 0.00 -0.08 5.18 -2.24 -1.26 0.61 114.28 114.28 2k2i n THR 102 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2k2i n THR 102 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2k2i n THR 102 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2k2i h LYS 103 N 0.00 0.40 0.00 -0.78 3.64 -2.01 -2.47 116.57 115.35 2k2i h LYS 103 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2k2i h LYS 103 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2k2i h LYS 103 CO 0.00 0.49 0.00 1.05 -2.27 0.00 0.00 179.45 178.72 2k2i h GLU 104 N 0.23 0.00 -0.20 1.90 4.11 -1.25 -2.53 114.58 116.85 2k2i h GLU 104 Ca 0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.46 2k2i h GLU 104 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2k2i h GLU 104 CO -0.00 0.00 -0.11 1.49 0.07 0.00 0.00 179.01 180.46 2k2i h GLU 105 N 0.00 0.31 -0.66 1.06 4.81 0.43 0.45 114.58 120.98 2k2i h GLU 105 Ca 0.00 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2k2i h GLU 105 Cb 0.75 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 2k2i h GLU 105 CO 0.00 0.44 0.26 0.82 -0.73 0.00 0.00 179.01 179.80 2k2i h ILE 106 N 0.30 1.24 -0.37 2.32 2.04 -0.99 0.33 117.51 122.37 2k2i h ILE 106 Ca 0.06 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2k2i h ILE 106 Cb 0.39 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2k2i h ILE 106 CO 0.02 0.30 0.16 0.25 0.00 0.00 0.00 178.15 178.88 2k2i h LEU 107 N 0.93 0.50 -0.28 1.44 6.46 -1.44 0.12 115.31 123.04 2k2i h LEU 107 Ca 0.22 -0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2k2i h LEU 107 Cb 0.21 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.93 2k2i h LEU 107 CO -0.02 0.51 -0.24 0.50 -0.62 0.00 0.00 178.44 178.57 2k2i h LYS 108 N 0.46 -0.22 -0.67 1.25 3.64 0.10 0.46 116.57 121.59 2k2i h LYS 108 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2k2i h LYS 108 Cb 0.15 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2k2i h LYS 108 CO -0.01 -0.15 0.42 0.00 -2.27 0.00 0.00 179.45 177.45 2k2i h ALA 109 N 0.86 0.85 -0.63 5.00 0.00 -0.23 0.18 119.26 125.28 2k2i h ALA 109 Ca 0.15 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2k2i h ALA 109 Cb 0.46 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2k2i h ALA 109 CO -0.41 0.30 0.31 0.35 0.00 0.00 0.00 179.25 179.80 2k2i h PHE 110 N 0.91 0.56 0.00 0.00 3.04 -0.32 0.43 116.94 121.57 2k2i h PHE 110 Ca 0.24 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.09 2k2i h PHE 110 Cb -0.07 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 2k2i h PHE 110 CO -0.02 0.23 -0.61 -0.22 -2.02 0.00 0.00 178.31 175.68 2k2i h LYS 111 N 0.57 0.00 -0.41 1.11 3.64 -0.50 0.55 116.57 121.53 2k2i h LYS 111 Ca 0.30 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2k2i h LYS 111 Cb 0.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2k2i h LYS 111 CO -0.22 0.61 0.07 -0.07 -2.27 0.00 0.00 179.45 177.56 2k2i h LEU 112 N 0.00 0.57 0.63 5.20 3.38 -0.23 -2.62 115.31 122.24 2k2i h LEU 112 Ca -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2k2i h LEU 112 Cb 1.33 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2k2i h LEU 112 CO 0.08 0.60 -0.30 -0.26 0.09 0.00 0.00 178.44 178.64 2k2i h PHE 113 N 0.60 -0.79 0.00 1.13 0.04 -0.83 -3.41 116.94 113.68 2k2i h PHE 113 Ca 0.13 -0.02 -0.61 0.00 2.80 0.00 0.00 57.97 60.27 2k2i h PHE 113 Cb 0.28 0.26 0.04 0.00 2.20 0.00 0.00 35.95 38.72 2k2i h PHE 113 CO 0.01 -0.49 2.43 -3.47 -0.60 0.00 0.00 178.31 176.19 2k2i n ASP 114 N -4.93 3.04 0.10 2.17 2.03 0.19 -4.54 116.55 114.60 2k2i n ASP 114 Ca -0.11 -2.63 -0.04 0.00 0.52 0.00 0.00 54.79 52.53 2k2i n ASP 114 Cb 0.34 -1.16 0.15 0.00 -0.72 0.00 0.00 41.12 39.73 2k2i n ASP 114 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k2i h ASP 115 N 7.47 0.20 1.23 1.67 3.58 -1.80 -3.03 116.42 125.75 2k2i h ASP 115 Ca 0.45 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2k2i h ASP 115 Cb 0.58 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2k2i h ASP 115 CO 1.88 0.74 0.00 -0.78 -2.88 0.00 0.00 179.24 178.19 2k2i h ASP 116 N 0.13 0.00 -5.94 2.28 3.58 -1.93 -3.47 116.42 111.07 2k2i h ASP 116 Ca -0.00 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.03 2k2i h ASP 116 Cb 1.07 0.00 0.10 0.00 1.72 0.00 0.00 39.33 42.22 2k2i h ASP 116 CO 0.09 0.00 -0.71 -0.62 -2.88 0.00 0.00 179.24 175.12 2k2i n GLU 117 N -2.67 -7.28 0.00 0.28 1.02 -1.15 -4.94 120.64 105.91 2k2i n GLU 117 Ca 0.03 0.77 0.11 0.00 -0.02 0.00 0.00 57.16 58.05 2k2i n GLU 117 Cb 0.36 -5.78 -0.05 0.00 -0.02 0.00 0.00 31.44 25.95 2k2i n GLU 117 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2k2i n THR 118 N -4.86 0.02 -1.40 2.62 5.66 -1.26 -4.96 114.28 110.10 2k2i n THR 118 Ca -0.01 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2k2i n THR 118 Cb 0.56 0.73 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 2k2i n THR 118 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k2i n GLY 119 N 1.47 0.47 3.31 1.09 0.00 -1.26 -5.03 105.19 105.25 2k2i n GLY 119 Ca 0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2k2i n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2i s LYS 120 N -2.84 0.72 -0.93 1.61 -0.14 -1.26 -4.68 119.74 112.22 2k2i s LYS 120 Ca 0.00 0.04 -0.22 0.00 -1.36 0.00 0.00 55.97 54.43 2k2i s LYS 120 Cb 0.00 0.33 0.08 0.00 -1.68 0.00 0.00 37.83 36.56 2k2i s LYS 120 CO 0.00 -0.19 1.28 0.42 -0.76 0.00 0.00 175.35 176.09 2k2i s ILE 121 N -1.03 4.22 0.85 2.17 1.01 0.19 -4.72 121.20 123.89 2k2i s ILE 121 Ca -0.11 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 2k2i s ILE 121 Cb -0.04 -4.91 0.10 0.00 0.01 0.00 0.00 42.46 37.62 2k2i s ILE 121 CO 0.05 -1.74 1.13 -0.55 0.00 0.00 0.00 174.94 173.83 2k2i s SER 122 N 4.28 3.62 0.38 3.58 0.15 -1.26 -1.29 113.70 123.17 2k2i s SER 122 Ca 0.38 2.05 0.09 0.00 0.70 0.00 0.00 55.95 59.17 2k2i s SER 122 Cb -0.04 -2.55 0.85 0.00 -1.71 0.00 0.00 66.02 62.57 2k2i s SER 122 CO -0.06 -2.63 1.94 0.15 1.20 0.00 0.00 173.24 173.84 2k2i h PHE 123 N -1.49 0.68 0.23 3.44 3.57 -1.94 0.21 116.94 121.63 2k2i h PHE 123 Ca -0.43 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 2k2i h PHE 123 Cb 1.25 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2k2i h PHE 123 CO 0.53 0.32 -0.12 0.87 -2.23 0.00 0.00 178.31 177.69 2k2i h LYS 124 N 0.64 -0.31 -0.60 1.11 1.57 -1.98 -0.10 116.57 116.89 2k2i h LYS 124 Ca 0.34 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 2k2i h LYS 124 Cb 0.47 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2k2i h LYS 124 CO -0.12 -0.21 0.32 -0.91 -0.57 0.00 0.00 179.45 177.96 2k2i h ASN 125 N -0.32 0.76 0.18 0.86 2.35 -1.64 0.12 115.58 117.89 2k2i h ASN 125 Ca -0.03 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2k2i h ASN 125 Cb 0.25 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2k2i h ASN 125 CO 0.05 0.65 -0.24 0.25 -1.65 0.00 0.00 177.43 176.48 2k2i h LEU 126 N 0.82 -0.66 -1.04 1.61 7.12 -0.59 -2.23 115.31 120.34 2k2i h LEU 126 Ca 0.21 0.07 -0.09 0.00 0.13 0.00 0.00 57.88 58.20 2k2i h LEU 126 Cb 0.06 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 2k2i h LEU 126 CO -0.03 -0.34 -0.41 0.07 -0.13 0.00 0.00 178.44 177.60 2k2i h LYS 127 N -0.48 0.00 -0.05 1.25 2.10 -0.78 -2.10 116.57 116.51 2k2i h LYS 127 Ca 0.01 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2k2i h LYS 127 Cb 0.47 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 2k2i h LYS 127 CO -0.09 0.41 -0.08 -0.09 -2.00 0.00 0.00 179.45 177.60 2k2i h ARG 128 N 0.00 -0.11 -0.48 0.07 9.65 -0.68 -2.44 114.38 120.38 2k2i h ARG 128 Ca -0.00 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 2k2i h ARG 128 Cb 0.85 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 2k2i h ARG 128 CO 0.05 -0.08 0.28 0.28 2.80 0.00 0.00 179.97 183.30 2k2i h VAL 129 N -0.12 1.03 -0.82 0.20 2.07 -1.12 -2.60 116.25 114.89 2k2i h VAL 129 Ca 0.05 -0.19 0.16 0.00 0.82 0.00 0.00 66.70 67.54 2k2i h VAL 129 Cb 0.19 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 2k2i h VAL 129 CO -0.12 0.10 0.54 0.00 0.02 0.00 0.00 177.57 178.11 2k2i h ALA 130 N 1.22 2.09 0.52 1.67 0.00 -1.24 -0.10 119.26 123.42 2k2i h ALA 130 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2k2i h ALA 130 Cb 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k2i h ALA 130 CO -0.10 -0.32 -0.25 0.87 0.00 0.00 0.00 179.25 179.45 2k2i h LYS 131 N 0.47 -0.68 0.00 0.00 1.57 -1.06 -2.66 116.57 114.21 2k2i h LYS 131 Ca 0.41 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2k2i h LYS 131 Cb 0.91 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2k2i h LYS 131 CO -0.15 -0.43 0.00 0.39 -0.57 0.00 0.00 179.45 178.69 2k2i n GLU 132 N -5.38 0.05 0.06 3.15 -0.58 -0.36 -0.13 120.64 117.46 2k2i n GLU 132 Ca -0.12 0.06 -0.01 0.00 -0.42 0.00 0.00 57.16 56.67 2k2i n GLU 132 Cb 0.30 -1.56 0.27 0.00 -0.57 0.00 0.00 31.44 29.88 2k2i n GLU 132 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2k2i h LEU 133 N 0.00 0.37 -0.76 -4.62 3.38 -1.17 -3.48 115.31 109.02 2k2i h LEU 133 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k2i h LEU 133 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k2i h LEU 133 CO 0.00 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2k2i n GLY 134 N -0.53 0.93 2.76 0.83 0.00 0.82 -5.08 105.19 104.92 2k2i n GLY 134 Ca -0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2k2i n GLY 134 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k2i n GLU 135 N -0.49 -0.10 0.00 1.61 0.00 -1.00 -5.06 120.64 115.60 2k2i n GLU 135 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 57.16 55.31 2k2i n GLU 135 Cb 0.43 -0.57 0.00 0.00 0.00 0.00 0.00 31.44 31.30 2k2i n GLU 135 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2k2i n ASN 136 N -3.06 3.39 -4.67 4.31 3.02 -1.26 -4.96 115.26 112.02 2k2i n ASN 136 Ca 0.12 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 2k2i n ASN 136 Cb 0.42 0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.70 2k2i n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2i n LEU 137 N -2.22 4.58 0.00 3.41 -0.00 -1.26 -5.04 117.00 116.47 2k2i n LEU 137 Ca 0.00 0.89 -0.11 0.00 -0.00 0.00 0.00 56.01 56.78 2k2i n LEU 137 Cb 0.41 -1.47 0.03 0.00 -0.00 0.00 0.00 43.42 42.38 2k2i n LEU 137 CO 0.00 -1.27 0.18 0.35 -0.00 0.00 0.00 177.39 176.64 2k2i n THR 138 N -1.43 0.00 0.17 1.47 -2.24 -1.26 -4.91 114.28 106.08 2k2i n THR 138 Ca 0.13 -1.09 0.02 0.00 -2.27 0.00 0.00 64.05 60.84 2k2i n THR 138 Cb 0.46 -0.65 0.37 0.00 -2.10 0.00 0.00 70.33 68.40 2k2i n THR 138 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k2i h ASP 139 N 0.11 0.06 -0.23 3.42 3.32 -1.98 -2.29 116.42 118.83 2k2i h ASP 139 Ca -0.16 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 2k2i h ASP 139 Cb 0.69 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 2k2i h ASP 139 CO 0.23 0.38 -0.36 1.05 -1.72 0.00 0.00 179.24 178.82 2k2i h GLU 140 N 0.06 0.65 -0.49 3.56 9.09 -1.98 -0.42 114.58 125.04 2k2i h GLU 140 Ca 0.01 -0.39 0.04 0.00 0.05 0.00 0.00 59.36 59.07 2k2i h GLU 140 Cb 0.59 0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.68 2k2i h GLU 140 CO 0.04 1.01 0.24 0.93 0.05 0.00 0.00 179.01 181.28 2k2i h GLU 141 N 0.35 0.46 -0.81 1.06 4.39 -1.88 0.14 114.58 118.29 2k2i h GLU 141 Ca 0.02 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k2i h GLU 141 Cb 0.95 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 2k2i h GLU 141 CO 0.08 0.30 0.52 -0.07 -1.16 0.00 0.00 179.01 178.69 2k2i h LEU 142 N 0.47 0.93 -0.24 1.33 3.38 -1.38 -2.67 115.31 117.14 2k2i h LEU 142 Ca 0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2k2i h LEU 142 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2k2i h LEU 142 CO -0.16 0.69 0.08 -0.61 0.09 0.00 0.00 178.44 178.53 2k2i h GLN 143 N 1.10 0.36 -0.04 1.13 -0.00 -0.21 -3.19 115.11 114.26 2k2i h GLN 143 Ca 0.29 -0.07 -0.05 0.00 -0.00 0.00 0.00 58.65 58.82 2k2i h GLN 143 Cb -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.31 2k2i h GLN 143 CO -0.06 0.43 -0.21 0.93 0.00 0.00 0.00 178.83 179.92 2k2i h GLU 144 N 0.22 0.07 -0.51 1.69 4.39 -0.74 -0.67 114.58 119.03 2k2i h GLU 144 Ca 0.08 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.83 2k2i h GLU 144 Cb 0.21 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 2k2i h GLU 144 CO -0.00 0.28 0.20 0.52 -1.16 0.00 0.00 179.01 178.85 2k2i h MET 145 N 0.06 0.39 -0.13 2.33 2.86 -1.48 0.11 114.93 119.07 2k2i h MET 145 Ca 0.01 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2k2i h MET 145 Cb 0.41 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2k2i h MET 145 CO 0.03 0.26 0.01 0.82 1.06 0.00 0.00 176.91 179.08 2k2i h ILE 146 N 0.40 0.92 0.01 -1.22 1.08 -1.14 -1.42 117.51 116.14 2k2i h ILE 146 Ca 0.24 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 64.72 2k2i h ILE 146 Cb 0.24 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2k2i h ILE 146 CO -0.23 0.01 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.25 2k2i h ASP 147 N 0.06 -0.60 1.04 1.72 3.58 -1.20 0.16 116.42 121.17 2k2i h ASP 147 Ca 0.06 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 2k2i h ASP 147 Cb 0.07 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2k2i h ASP 147 CO -0.10 -0.28 -0.15 -0.08 -2.88 0.00 0.00 179.24 175.76 2k2i h GLU 148 N -0.34 0.00 0.06 0.28 4.57 -0.82 -3.01 114.58 115.33 2k2i h GLU 148 Ca 0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2k2i h GLU 148 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2k2i h GLU 148 CO -0.18 0.15 -0.03 0.00 -1.18 0.00 0.00 179.01 177.77 2k2i h ALA 149 N 1.85 -0.08 -1.18 2.92 0.00 -1.14 -3.40 119.26 118.23 2k2i h ALA 149 Ca -0.00 -0.10 -0.74 0.00 0.00 0.00 0.00 54.91 54.07 2k2i h ALA 149 Cb 0.71 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 2k2i h ALA 149 CO 0.02 -0.08 1.83 -3.47 0.00 0.00 0.00 179.25 177.54 2k2i n ASP 150 N -4.81 5.05 0.05 0.00 2.03 0.55 -4.76 116.55 114.65 2k2i n ASP 150 Ca -0.03 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.27 2k2i n ASP 150 Cb 0.11 -1.56 0.31 0.00 -0.72 0.00 0.00 41.12 39.26 2k2i n ASP 150 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2k2i h ARG 151 N 6.53 0.39 0.11 -0.67 2.47 -1.76 -3.09 114.38 118.35 2k2i h ARG 151 Ca 0.38 -0.10 -0.27 0.00 -1.26 0.00 0.00 59.98 58.73 2k2i h ARG 151 Cb 0.76 -0.05 0.03 0.00 -1.65 0.00 0.00 29.97 29.06 2k2i h ARG 151 CO 1.46 0.52 -1.11 -0.44 0.56 0.00 0.00 179.97 180.96 2k2i h ASP 152 N 0.37 0.79 -0.22 7.04 5.19 -1.89 -3.50 116.42 124.21 2k2i h ASP 152 Ca 0.07 -0.83 0.00 0.00 -0.62 0.00 0.00 57.03 55.65 2k2i h ASP 152 Cb 0.44 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2k2i h ASP 152 CO 0.02 1.54 0.00 0.61 -3.12 0.00 0.00 179.24 178.30 2k2i n GLY 153 N 1.37 0.69 0.12 2.75 0.00 -1.17 -5.02 105.19 103.93 2k2i n GLY 153 Ca -0.13 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 2k2i n GLY 153 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k2i h ASP 154 N 0.00 0.39 0.00 1.61 3.58 -1.96 -3.49 116.42 116.55 2k2i h ASP 154 Ca 0.00 -0.87 0.00 0.00 0.42 0.00 0.00 57.03 56.58 2k2i h ASP 154 Cb 0.05 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2k2i h ASP 154 CO 0.00 1.58 0.00 0.61 -2.88 0.00 0.00 179.24 178.55 2k2i n GLY 155 N 1.73 4.78 3.32 -0.78 0.00 -1.26 -5.08 105.19 107.89 2k2i n GLY 155 Ca -0.23 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 2k2i n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 156 N 0.00 1.25 -0.38 1.61 2.02 -1.26 -4.93 118.70 117.00 2k2i s GLU 156 Ca 0.00 -1.51 -0.23 0.00 0.02 0.00 0.00 54.97 53.26 2k2i s GLU 156 Cb 0.00 -1.05 0.01 0.00 0.10 0.00 0.00 34.13 33.19 2k2i s GLU 156 CO 0.00 0.18 0.77 0.08 0.02 0.00 0.00 175.26 176.31 2k2i s VAL 157 N -2.81 4.73 0.97 2.63 1.01 -0.41 -4.81 120.40 121.70 2k2i s VAL 157 Ca 0.19 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 2k2i s VAL 157 Cb -0.01 -4.22 0.19 0.00 0.00 0.00 0.00 36.38 32.33 2k2i s VAL 157 CO 0.05 -0.49 1.26 -0.55 0.00 0.00 0.00 175.10 175.38 2k2i s SER 158 N 1.90 3.08 0.05 3.32 0.15 -1.26 0.57 113.70 121.50 2k2i s SER 158 Ca 0.30 0.44 -0.28 0.00 0.70 0.00 0.00 55.95 57.12 2k2i s SER 158 Cb -0.13 -0.61 -0.17 0.00 -1.71 0.00 0.00 66.02 63.40 2k2i s SER 158 CO 0.18 -2.77 1.49 1.05 1.20 0.00 0.00 173.24 174.39 2k2i h GLU 159 N -1.66 -0.48 -0.90 5.44 -0.00 -1.96 0.15 114.58 115.17 2k2i h GLU 159 Ca -0.45 0.03 0.23 0.00 -0.00 0.00 0.00 59.36 59.17 2k2i h GLU 159 Cb 1.26 0.11 -0.16 0.00 -0.00 0.00 0.00 28.75 29.96 2k2i h GLU 159 CO 0.43 -0.23 0.04 -0.56 -0.00 0.00 0.00 179.01 178.69 2k2i h GLN 160 N -0.64 0.07 -0.41 1.06 3.07 -1.98 0.32 115.11 116.61 2k2i h GLN 160 Ca -0.05 -0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.54 2k2i h GLN 160 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.00 2k2i h GLN 160 CO 0.08 0.05 -0.33 0.93 0.09 0.00 0.00 178.83 179.65 2k2i h GLU 161 N 0.07 0.94 -0.26 0.06 3.07 -1.76 0.27 114.58 116.97 2k2i h GLU 161 Ca 0.53 -0.46 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2k2i h GLU 161 Cb 1.03 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 2k2i h GLU 161 CO -0.80 1.12 0.14 0.35 -1.40 0.00 0.00 179.01 178.41 2k2i h PHE 162 N 0.78 0.36 -0.36 4.33 3.57 -0.14 -0.04 116.94 125.44 2k2i h PHE 162 Ca 0.08 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2k2i h PHE 162 Cb 0.91 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2k2i h PHE 162 CO 0.06 0.32 0.08 -0.07 -2.23 0.00 0.00 178.31 176.47 2k2i h LEU 163 N 0.30 0.04 -0.01 0.59 3.38 -0.19 -0.58 115.31 118.84 2k2i h LEU 163 Ca 0.09 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2k2i h LEU 163 Cb 0.08 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2k2i h LEU 163 CO -0.01 0.06 -0.17 0.03 0.09 0.00 0.00 178.44 178.43 2k2i h ARG 164 N 0.21 -0.27 -0.57 1.13 3.08 -0.28 0.15 114.38 117.83 2k2i h ARG 164 Ca 0.17 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 2k2i h ARG 164 Cb 0.18 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2k2i h ARG 164 CO -0.21 -0.18 0.01 0.97 -1.07 0.00 0.00 179.97 179.49 2k2i h ILE 165 N -0.28 1.26 -0.42 2.04 6.09 -0.85 -2.87 117.51 122.48 2k2i h ILE 165 Ca 0.06 -1.11 -0.13 0.00 -1.37 0.00 0.00 64.86 62.31 2k2i h ILE 165 Cb 0.36 0.81 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 2k2i h ILE 165 CO -0.18 0.40 -0.25 0.24 -3.07 0.00 0.00 178.15 175.29 2k2i h MET 166 N 0.91 0.87 -0.03 2.19 2.86 -1.03 -3.14 114.93 117.56 2k2i h MET 166 Ca 0.17 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2k2i h MET 166 Cb 0.52 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k2i h MET 166 CO 0.03 1.02 0.03 -0.22 1.06 0.00 0.00 176.91 178.83 2k2i h LYS 167 N 0.75 0.00 -0.53 1.72 3.64 -0.47 -0.70 116.57 120.97 2k2i h LYS 167 Ca 0.09 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2k2i h LYS 167 Cb 0.80 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 2k2i h LYS 167 CO 0.07 0.00 0.21 0.87 -2.27 0.00 0.00 179.45 178.33 2k2i h LYS 168 N 0.00 0.39 -2.42 1.90 1.57 -1.48 -3.28 116.57 113.25 2k2i h LYS 168 Ca 0.01 -0.02 -0.74 0.00 -1.87 0.00 0.00 60.65 58.03 2k2i h LYS 168 Cb 0.07 -0.09 -0.18 0.00 0.08 0.00 0.00 32.23 32.12 2k2i h LYS 168 CO -0.00 0.26 1.76 2.41 -0.57 0.00 0.00 179.45 183.30 2k2i n THR 169 N -4.98 5.20 0.06 -0.16 -1.04 -0.27 -4.52 114.28 108.58 2k2i n THR 169 Ca 0.06 -4.63 -0.10 0.00 -2.04 0.00 0.00 64.05 57.34 2k2i n THR 169 Cb 0.21 -1.84 -0.13 0.00 -1.82 0.00 0.00 70.33 66.75 2k2i n THR 169 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2k2i h SER 170 N 4.24 0.13 0.00 8.00 4.64 -1.71 -3.37 113.55 125.48 2k2i h SER 170 Ca 0.62 -0.16 -0.23 0.00 -0.47 0.00 0.00 61.79 61.55 2k2i h SER 170 Cb 0.34 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 2k2i h SER 170 CO 1.33 1.13 -1.95 0.00 -0.87 0.00 0.00 176.83 176.47 2k2i n LEU 171 N -3.37 0.00 0.00 5.97 -0.00 -1.26 -5.17 117.00 113.17 2k2i n LEU 171 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 2k2i n LEU 171 Cb 0.98 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 44.71 2k2i n LEU 171 CO 0.49 0.31 0.00 0.00 -0.00 0.00 0.00 177.39 178.19