#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2i n GLN 95 N 0.00 -0.54 -4.15 -0.78 6.02 -1.26 -5.10 117.38 111.57 2k2i n GLN 95 Ca 0.00 0.44 -0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2k2i n GLN 95 Cb 0.00 -0.61 -0.11 0.00 1.02 0.00 0.00 30.24 30.55 2k2i n GLN 95 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2k2i s LYS 96 N -3.37 0.79 0.35 -1.09 1.02 -1.26 -5.15 119.74 111.03 2k2i s LYS 96 Ca 0.00 -1.15 -0.07 0.00 0.02 0.00 0.00 55.97 54.77 2k2i s LYS 96 Cb 0.00 -0.37 -0.06 0.00 -0.52 0.00 0.00 37.83 36.88 2k2i s LYS 96 CO 0.00 0.04 0.66 -1.64 -0.92 0.00 0.00 175.35 173.49 2k2i s MET 97 N -2.96 3.69 0.00 1.68 -1.94 -1.26 -5.05 119.30 113.46 2k2i s MET 97 Ca 0.05 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 2k2i s MET 97 Cb -0.01 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.31 2k2i s MET 97 CO -0.02 0.08 0.00 0.43 -0.01 0.00 0.00 175.02 175.50 2k2i n SER 98 N -1.19 0.00 -0.01 3.03 7.64 -1.26 -4.99 113.62 116.83 2k2i n SER 98 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2k2i n SER 98 Cb 0.54 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2k2i n SER 98 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k2i n GLU 99 N 0.00 0.34 0.00 1.43 4.71 -1.26 -5.03 120.64 120.83 2k2i n GLU 99 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 2k2i n GLU 99 Cb 0.00 -1.06 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 2k2i n GLU 99 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2k2i n LYS 100 N -2.55 0.00 0.00 3.49 2.85 -1.26 -5.05 118.16 115.64 2k2i n LYS 100 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2k2i n LYS 100 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k2i n ASP 101 N 0.00 0.00 -0.20 -5.58 8.00 -1.26 -4.52 116.55 112.99 2k2i n ASP 101 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 2k2i n ASP 101 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 2k2i n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2i h THR 102 N 0.00 0.51 -0.35 -3.53 1.03 -1.96 0.28 112.91 108.88 2k2i h THR 102 Ca 0.00 -0.04 -0.12 0.00 -0.01 0.00 0.00 66.41 66.24 2k2i h THR 102 Cb 0.00 0.38 -0.01 0.00 -1.07 0.00 0.00 68.15 67.44 2k2i h THR 102 CO 0.00 0.02 -0.28 0.50 -0.01 0.00 0.00 175.52 175.75 2k2i h LYS 103 N 0.12 0.73 0.10 0.00 3.64 -2.00 0.71 116.57 119.87 2k2i h LYS 103 Ca 0.31 -0.32 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2k2i h LYS 103 Cb 0.51 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2k2i h LYS 103 CO -0.51 0.93 -1.34 1.05 -2.27 0.00 0.00 179.45 177.30 2k2i h GLU 104 N 0.63 0.21 -0.24 1.90 4.11 -1.66 -3.07 114.58 116.46 2k2i h GLU 104 Ca 0.08 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2k2i h GLU 104 Cb 0.79 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2k2i h GLU 104 CO 0.07 1.10 0.15 1.49 0.07 0.00 0.00 179.01 181.89 2k2i h GLU 105 N 0.06 0.32 -0.60 1.06 4.57 -0.34 -0.12 114.58 119.52 2k2i h GLU 105 Ca -0.16 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 57.90 2k2i h GLU 105 Cb 1.96 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.46 2k2i h GLU 105 CO 0.17 0.23 0.01 -0.84 -1.18 0.00 0.00 179.01 177.40 2k2i h ILE 106 N 0.31 1.26 -0.55 2.32 -0.00 -0.98 0.19 117.51 120.06 2k2i h ILE 106 Ca 0.09 -1.13 0.01 0.00 -0.00 0.00 0.00 64.86 63.83 2k2i h ILE 106 Cb -0.01 0.78 -0.03 0.00 -0.00 0.00 0.00 36.82 37.56 2k2i h ILE 106 CO -0.02 0.41 0.35 0.25 -0.00 0.00 0.00 178.15 179.14 2k2i h LEU 107 N 0.96 0.59 0.59 0.16 5.85 -1.39 0.39 115.31 122.45 2k2i h LEU 107 Ca 0.17 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2k2i h LEU 107 Cb 0.53 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2k2i h LEU 107 CO 0.03 0.42 -0.34 0.11 -0.34 0.00 0.00 178.44 178.32 2k2i h LYS 108 N 0.70 -0.84 -0.38 1.25 6.56 -0.82 -3.08 116.57 119.97 2k2i h LYS 108 Ca 0.21 0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.75 2k2i h LYS 108 Cb -0.04 0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 2k2i h LYS 108 CO -0.07 -0.56 -0.18 0.00 -2.06 0.00 0.00 179.45 176.59 2k2i h ALA 109 N -0.50 0.98 -0.59 3.86 0.00 -0.29 -0.79 119.26 121.93 2k2i h ALA 109 Ca -0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 2k2i h ALA 109 Cb 0.70 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k2i h ALA 109 CO 0.09 0.60 -0.05 0.35 0.00 0.00 0.00 179.25 180.24 2k2i h PHE 110 N 0.63 1.18 -0.17 0.00 3.04 -0.35 0.10 116.94 121.37 2k2i h PHE 110 Ca 0.10 -0.22 -0.10 0.00 3.98 0.00 0.00 57.97 61.72 2k2i h PHE 110 Cb 0.66 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 2k2i h PHE 110 CO 0.03 1.06 -0.33 0.87 -2.02 0.00 0.00 178.31 177.92 2k2i h LYS 111 N 0.96 0.34 -0.46 1.11 1.79 -1.40 0.29 116.57 119.21 2k2i h LYS 111 Ca 0.16 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 2k2i h LYS 111 Cb 0.62 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2k2i h LYS 111 CO 0.04 0.64 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.82 2k2i h LEU 112 N 0.30 0.93 0.02 2.94 3.38 -0.81 -3.35 115.31 118.72 2k2i h LEU 112 Ca 0.04 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2k2i h LEU 112 Cb 0.73 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k2i h LEU 112 CO 0.06 1.10 -0.01 -0.26 0.09 0.00 0.00 178.44 179.42 2k2i h PHE 113 N 0.75 -0.03 -2.21 1.13 -1.00 -0.59 -3.43 116.94 111.55 2k2i h PHE 113 Ca 0.11 -0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.35 2k2i h PHE 113 Cb 0.72 0.01 -0.08 0.00 3.61 0.00 0.00 35.95 40.21 2k2i h PHE 113 CO 0.05 0.68 1.12 0.34 -1.61 0.00 0.00 178.31 178.89 2k2i s ASP 114 N -5.91 6.11 -0.01 2.17 -1.08 0.99 -4.66 116.67 114.28 2k2i s ASP 114 Ca -0.16 -0.48 -0.25 0.00 -0.52 0.00 0.00 52.55 51.14 2k2i s ASP 114 Cb -0.01 -2.56 -0.19 0.00 -1.46 0.00 0.00 42.92 38.70 2k2i s ASP 114 CO 0.63 -1.86 1.28 -0.78 0.52 0.00 0.00 175.17 174.96 2k2i h ASP 115 N 10.40 -0.06 0.27 -0.34 3.58 -1.84 -2.86 116.42 125.58 2k2i h ASP 115 Ca -0.24 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2k2i h ASP 115 Cb 1.05 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2k2i h ASP 115 CO 1.29 0.37 -0.17 -0.90 -2.88 0.00 0.00 179.24 176.94 2k2i n ASP 116 N -4.92 0.80 -3.75 2.28 5.75 -1.26 -4.97 116.55 110.47 2k2i n ASP 116 Ca -0.08 -0.79 -0.30 0.00 -0.01 0.00 0.00 54.79 53.61 2k2i n ASP 116 Cb 0.23 0.03 0.03 0.00 -1.03 0.00 0.00 41.12 40.38 2k2i n ASP 116 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2k2i n GLU 117 N -0.74 -1.79 0.07 0.11 0.28 -1.08 -4.94 120.64 112.56 2k2i n GLU 117 Ca 0.14 0.44 0.13 0.00 -0.16 0.00 0.00 57.16 57.70 2k2i n GLU 117 Cb 0.32 -4.20 0.33 0.00 1.43 0.00 0.00 31.44 29.32 2k2i n GLU 117 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2k2i n THR 118 N -4.27 0.43 -0.13 3.84 5.66 -1.26 -4.92 114.28 113.64 2k2i n THR 118 Ca -0.15 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 2k2i n THR 118 Cb 0.61 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 1.35 1.72 3.15 1.09 0.00 -1.26 -5.09 105.19 106.15 2k2i n GLY 119 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.02 0.27 -0.92 1.61 -0.14 -1.26 -4.72 119.74 113.57 2k2i s LYS 120 Ca 0.00 0.75 -0.23 0.00 -1.36 0.00 0.00 55.97 55.13 2k2i s LYS 120 Cb 0.00 0.01 0.07 0.00 -1.68 0.00 0.00 37.83 36.23 2k2i s LYS 120 CO 0.00 -0.20 1.30 0.42 -0.76 0.00 0.00 175.35 176.10 2k2i s ILE 121 N 1.79 4.12 0.77 2.17 1.01 0.66 -4.80 121.20 126.93 2k2i s ILE 121 Ca -0.06 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 2k2i s ILE 121 Cb -0.10 -4.93 0.05 0.00 0.01 0.00 0.00 42.46 37.49 2k2i s ILE 121 CO -0.11 -1.78 1.13 -0.94 0.00 0.00 0.00 174.94 173.25 2k2i s SER 122 N 4.33 4.83 0.27 3.58 1.04 -1.26 -0.11 113.70 126.38 2k2i s SER 122 Ca 0.39 1.00 -0.03 0.00 0.48 0.00 0.00 55.95 57.79 2k2i s SER 122 Cb -0.04 -1.66 0.39 0.00 0.10 0.00 0.00 66.02 64.81 2k2i s SER 122 CO -0.04 -1.72 1.90 0.15 0.98 0.00 0.00 173.24 174.51 2k2i h PHE 123 N -0.92 1.20 -0.12 5.02 3.57 -1.94 0.24 116.94 123.99 2k2i h PHE 123 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k2i h PHE 123 Cb 1.29 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 2k2i h PHE 123 CO 0.41 0.66 0.08 0.87 -2.23 0.00 0.00 178.31 178.10 2k2i h LYS 124 N 1.21 0.16 -0.00 1.11 1.79 -1.98 0.23 116.57 119.09 2k2i h LYS 124 Ca 0.41 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.71 2k2i h LYS 124 Cb 0.08 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2k2i h LYS 124 CO -0.15 0.12 -0.77 -0.91 -1.08 0.00 0.00 179.45 176.67 2k2i h ASN 125 N 0.15 0.03 0.19 0.86 4.21 -1.77 0.16 115.58 119.41 2k2i h ASN 125 Ca 0.04 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 2k2i h ASN 125 Cb -0.00 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 2k2i h ASN 125 CO -0.01 0.78 -0.14 0.25 -1.29 0.00 0.00 177.43 177.03 2k2i h LEU 126 N 0.01 -0.34 -1.41 1.61 7.12 -0.43 0.03 115.31 121.90 2k2i h LEU 126 Ca -0.01 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 2k2i h LEU 126 Cb 1.35 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.57 2k2i h LEU 126 CO 0.10 -0.22 0.34 0.50 -0.13 0.00 0.00 178.44 179.03 2k2i h LYS 127 N -0.33 0.74 0.40 1.25 1.63 -0.23 0.30 116.57 120.32 2k2i h LYS 127 Ca -0.01 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2k2i h LYS 127 Cb 0.29 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2k2i h LYS 127 CO 0.00 0.51 -0.32 -0.09 -3.45 0.00 0.00 179.45 176.10 2k2i h ARG 128 N 0.75 -0.70 -0.31 1.90 1.12 -0.58 -0.93 114.38 115.63 2k2i h ARG 128 Ca 0.20 0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 59.06 2k2i h ARG 128 Cb -0.04 0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.06 2k2i h ARG 128 CO -0.04 -0.46 -0.05 -0.24 -3.11 0.00 0.00 179.97 176.07 2k2i h VAL 129 N -0.72 1.21 -0.90 0.20 3.04 -0.44 -2.01 116.25 116.62 2k2i h VAL 129 Ca -0.04 -0.86 0.04 0.00 -1.01 0.00 0.00 66.70 64.83 2k2i h VAL 129 Cb 0.63 1.03 -0.06 0.00 -2.01 0.00 0.00 31.29 30.88 2k2i h VAL 129 CO -0.01 0.29 0.58 0.00 -1.01 0.00 0.00 177.57 177.42 2k2i h ALA 130 N 1.48 1.20 -0.00 3.17 0.00 -0.32 0.50 119.26 125.28 2k2i h ALA 130 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2k2i h ALA 130 Cb 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k2i h ALA 130 CO 0.02 0.42 -0.49 1.57 0.00 0.00 0.00 179.25 180.77 2k2i h LYS 131 N 1.11 0.01 -0.43 0.00 2.10 -0.70 0.11 116.57 118.78 2k2i h LYS 131 Ca 0.37 -0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.89 2k2i h LYS 131 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2k2i h LYS 131 CO -0.13 0.50 -0.23 0.93 -2.00 0.00 0.00 179.45 178.52 2k2i h GLU 132 N 0.01 0.87 -0.38 0.07 4.39 -0.60 -2.81 114.58 116.13 2k2i h GLU 132 Ca -0.00 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.24 2k2i h GLU 132 Cb 0.87 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2k2i h GLU 132 CO 0.06 1.01 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.74 2k2i h LEU 133 N 0.76 0.76 0.00 1.33 -0.00 -0.88 -3.49 115.31 113.79 2k2i h LEU 133 Ca 0.10 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2k2i h LEU 133 Cb 0.77 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2k2i h LEU 133 CO 0.06 0.96 0.00 0.61 -0.00 0.00 0.00 178.44 180.07 2k2i n GLY 134 N -0.16 0.81 3.76 0.83 0.00 0.20 -5.09 105.19 105.54 2k2i n GLY 134 Ca -0.02 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2k2i n GLY 134 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2i s GLU 135 N -1.42 2.75 -0.42 1.61 -1.05 -0.09 -5.00 118.70 115.07 2k2i s GLU 135 Ca 0.00 1.57 0.10 0.00 -0.15 0.00 0.00 54.97 56.49 2k2i s GLU 135 Cb 0.00 -1.93 0.32 0.00 -0.44 0.00 0.00 34.13 32.08 2k2i s GLU 135 CO 0.00 -1.32 0.71 -1.71 0.95 0.00 0.00 175.26 173.88 2k2i n ASN 136 N -2.21 1.34 0.00 0.83 5.15 -1.26 -4.99 115.26 114.12 2k2i n ASN 136 Ca 0.12 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 2k2i n ASN 136 Cb 0.51 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 2k2i n ASN 136 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2k2i n LEU 137 N 0.53 0.00 0.00 1.20 4.77 -1.26 -5.15 117.00 117.09 2k2i n LEU 137 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2k2i n LEU 137 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2k2i n LEU 137 CO 0.23 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.70 2k2i n THR 138 N 0.00 0.00 0.00 -5.08 -1.04 -1.26 -5.07 114.28 101.83 2k2i n THR 138 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k2i n THR 138 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k2i n THR 138 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k2i n ASP 139 N 0.00 1.82 -0.22 8.00 8.00 -1.26 -4.86 116.55 128.03 2k2i n ASP 139 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2k2i n ASP 139 Cb 0.00 0.17 0.13 0.00 -0.02 0.00 0.00 41.12 41.40 2k2i n ASP 139 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k2i h GLU 140 N 0.00 0.33 -0.19 -1.24 3.07 -1.97 0.01 114.58 114.57 2k2i h GLU 140 Ca 0.00 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2k2i h GLU 140 Cb 0.37 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 2k2i h GLU 140 CO 0.00 0.22 -0.13 0.93 -1.40 0.00 0.00 179.01 178.62 2k2i h GLU 141 N 0.34 -0.12 0.00 2.33 4.39 -1.97 0.26 114.58 119.79 2k2i h GLU 141 Ca 0.34 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2k2i h GLU 141 Cb 0.50 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2k2i h GLU 141 CO -0.39 -0.08 -0.17 1.37 -1.16 0.00 0.00 179.01 178.58 2k2i h LEU 142 N -0.13 0.00 -0.39 1.33 -0.00 -1.79 -1.69 115.31 112.64 2k2i h LEU 142 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.89 2k2i h LEU 142 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2k2i h LEU 142 CO -0.27 0.16 -0.14 -0.61 -0.00 0.00 0.00 178.44 177.57 2k2i h GLN 143 N 0.00 0.79 -0.43 0.17 -0.00 -0.64 -1.56 115.11 113.44 2k2i h GLN 143 Ca -0.00 -0.32 0.06 0.00 -0.00 0.00 0.00 58.65 58.38 2k2i h GLN 143 Cb 1.12 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 28.52 2k2i h GLN 143 CO 0.02 0.94 0.13 1.49 0.00 0.00 0.00 178.83 181.42 2k2i h GLU 144 N 0.60 0.28 -0.49 1.69 4.57 -0.40 0.13 114.58 120.96 2k2i h GLU 144 Ca 0.09 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.35 2k2i h GLU 144 Cb 0.68 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.12 2k2i h GLU 144 CO 0.05 0.19 -0.10 0.52 -1.18 0.00 0.00 179.01 178.48 2k2i h MET 145 N 0.29 0.02 0.29 1.92 2.86 -1.16 0.34 114.93 119.49 2k2i h MET 145 Ca 0.20 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2k2i h MET 145 Cb 0.21 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2k2i h MET 145 CO -0.22 0.01 -0.25 0.82 1.06 0.00 0.00 176.91 178.33 2k2i h ILE 146 N 0.02 0.47 -0.38 -1.22 1.08 -0.76 -1.79 117.51 114.92 2k2i h ILE 146 Ca 0.24 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.62 2k2i h ILE 146 Cb 0.36 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2k2i h ILE 146 CO -0.49 0.00 -0.13 0.44 -0.69 0.00 0.00 178.15 177.29 2k2i h ASP 147 N -0.56 0.67 -0.61 1.72 3.32 -0.38 0.35 116.42 120.92 2k2i h ASP 147 Ca -0.02 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 2k2i h ASP 147 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2k2i h ASP 147 CO -0.03 0.82 0.03 -0.08 -1.72 0.00 0.00 179.24 178.27 2k2i h GLU 148 N 0.62 1.06 0.14 3.56 4.22 -0.37 -3.19 114.58 120.62 2k2i h GLU 148 Ca 0.11 -0.32 -0.01 0.00 0.08 0.00 0.00 59.36 59.22 2k2i h GLU 148 Cb 0.57 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k2i h GLU 148 CO 0.04 1.02 -0.07 0.00 -2.18 0.00 0.00 179.01 177.82 2k2i h ALA 149 N 1.00 -0.19 0.00 2.92 0.00 -0.85 -3.30 119.26 118.84 2k2i h ALA 149 Ca 0.18 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2k2i h ALA 149 Cb 0.52 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2k2i h ALA 149 CO 0.02 -0.35 -0.14 -3.47 0.00 0.00 0.00 179.25 175.31 2k2i n ASP 150 N -4.95 4.40 0.11 0.00 2.03 0.12 -4.56 116.55 113.70 2k2i n ASP 150 Ca -0.08 -2.26 0.04 0.00 0.52 0.00 0.00 54.79 53.01 2k2i n ASP 150 Cb 0.26 -1.08 0.47 0.00 -0.72 0.00 0.00 41.12 40.05 2k2i n ASP 150 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2k2i h ARG 151 N 2.68 0.29 0.00 -0.67 2.43 -1.64 -2.82 114.38 114.66 2k2i h ARG 151 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2k2i h ARG 151 Cb 1.09 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2k2i h ARG 151 CO 0.16 0.27 -0.08 -0.25 -1.51 0.00 0.00 179.97 178.56 2k2i n ASP 152 N -4.43 1.28 0.00 -3.80 8.00 -1.26 -5.09 116.55 111.25 2k2i n ASP 152 Ca 0.00 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.48 2k2i n ASP 152 Cb 0.14 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2k2i n ASP 152 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k2i n GLY 153 N -0.52 0.88 2.74 0.44 0.00 -1.06 -5.08 105.19 102.58 2k2i n GLY 153 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2k2i n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2i n ASP 154 N 0.00 0.09 0.00 1.61 2.03 -1.26 -5.01 116.55 114.01 2k2i n ASP 154 Ca 0.00 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 53.06 2k2i n ASP 154 Cb 0.00 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2k2i n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2i n GLY 155 N -0.84 1.35 3.21 0.27 0.00 -1.26 -4.82 105.19 103.10 2k2i n GLY 155 Ca -0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 1.42 -0.12 1.61 2.02 -1.26 -4.77 118.70 117.59 2k2i s GLU 156 Ca 0.00 -0.78 -0.24 0.00 0.02 0.00 0.00 54.97 53.97 2k2i s GLU 156 Cb 0.00 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.77 2k2i s GLU 156 CO 0.00 0.38 0.73 0.08 0.02 0.00 0.00 175.26 176.47 2k2i s VAL 157 N -0.61 4.99 0.86 2.63 1.01 0.85 -4.73 120.40 125.38 2k2i s VAL 157 Ca 0.07 1.47 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 2k2i s VAL 157 Cb -0.08 -4.06 0.11 0.00 0.00 0.00 0.00 36.38 32.35 2k2i s VAL 157 CO 0.00 0.15 1.14 -0.94 0.00 0.00 0.00 175.10 175.45 2k2i s SER 158 N 0.99 4.02 0.22 3.32 1.04 -1.26 -0.24 113.70 121.79 2k2i s SER 158 Ca 0.36 1.00 -0.07 0.00 0.48 0.00 0.00 55.95 57.73 2k2i s SER 158 Cb -0.17 -1.60 0.19 0.00 0.10 0.00 0.00 66.02 64.53 2k2i s SER 158 CO 0.15 -2.23 1.76 1.05 0.98 0.00 0.00 173.24 174.96 2k2i h GLU 159 N -1.28 1.12 -0.40 4.02 4.11 -1.96 0.11 114.58 120.30 2k2i h GLU 159 Ca -0.49 -0.23 -0.14 0.00 0.07 0.00 0.00 59.36 58.57 2k2i h GLU 159 Cb 1.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2k2i h GLU 159 CO 0.62 0.95 -0.30 -0.56 0.07 0.00 0.00 179.01 179.79 2k2i h GLN 160 N 1.07 0.89 -0.43 1.06 3.07 -1.98 0.18 115.11 118.98 2k2i h GLN 160 Ca 0.24 -0.41 -0.14 0.00 0.09 0.00 0.00 58.65 58.42 2k2i h GLN 160 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 2k2i h GLN 160 CO -0.01 1.06 -0.29 0.93 0.09 0.00 0.00 178.83 180.62 2k2i h GLU 161 N 0.75 0.93 -0.05 0.06 3.07 -1.85 0.21 114.58 117.70 2k2i h GLU 161 Ca 0.08 -0.43 0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2k2i h GLU 161 Cb 0.86 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2k2i h GLU 161 CO 0.08 1.09 0.01 0.35 -1.40 0.00 0.00 179.01 179.14 2k2i h PHE 162 N 0.78 0.02 -0.44 4.33 3.57 -0.66 -1.18 116.94 123.36 2k2i h PHE 162 Ca 0.09 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2k2i h PHE 162 Cb 0.86 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.51 2k2i h PHE 162 CO 0.05 0.01 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.93 2k2i h LEU 163 N 0.04 -0.51 -0.18 0.59 3.38 -0.45 0.20 115.31 118.38 2k2i h LEU 163 Ca 0.02 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2k2i h LEU 163 Cb 0.01 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2k2i h LEU 163 CO -0.03 -0.18 -0.07 0.03 0.09 0.00 0.00 178.44 178.29 2k2i h ARG 164 N -0.04 -0.03 0.00 1.13 3.08 -0.73 0.15 114.38 117.94 2k2i h ARG 164 Ca 0.21 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.13 2k2i h ARG 164 Cb 0.37 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2k2i h ARG 164 CO -0.48 -0.02 -0.65 -0.84 -1.07 0.00 0.00 179.97 176.92 2k2i h ILE 165 N -0.04 1.39 -0.05 2.04 -0.00 -0.97 -0.83 117.51 119.05 2k2i h ILE 165 Ca 0.10 -2.27 -0.14 0.00 -0.00 0.00 0.00 64.86 62.54 2k2i h ILE 165 Cb 0.18 2.25 -0.01 0.00 -0.00 0.00 0.00 36.82 39.24 2k2i h ILE 165 CO -0.21 0.63 -0.61 0.24 -0.00 0.00 0.00 178.15 178.20 2k2i h MET 166 N 0.00 0.17 0.00 0.16 2.86 -0.41 -3.33 114.93 114.37 2k2i h MET 166 Ca -0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2k2i h MET 166 Cb 1.20 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2k2i h MET 166 CO 0.08 0.72 0.00 1.17 1.06 0.00 0.00 176.91 179.95 2k2i n LYS 167 N -3.85 0.00 0.00 1.72 3.00 0.51 -4.88 118.16 114.66 2k2i n LYS 167 Ca -0.02 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 2k2i n LYS 167 Cb 0.62 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 34.60 2k2i n LYS 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k2i n LYS 168 N -1.32 0.00 -1.47 1.64 5.02 -0.33 -4.71 118.16 117.00 2k2i n LYS 168 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2k2i n LYS 168 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 2k2i n LYS 168 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2k2i n THR 169 N 0.00 -0.00 -2.41 -0.18 -1.04 -1.26 -4.82 114.28 104.56 2k2i n THR 169 Ca 0.00 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.05 61.67 2k2i n THR 169 Cb 0.00 -0.87 0.01 0.00 -1.82 0.00 0.00 70.33 67.65 2k2i n THR 169 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k2i n SER 170 N 10.79 4.06 -0.82 8.00 7.64 -1.26 -4.73 113.62 137.30 2k2i n SER 170 Ca 0.59 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 57.02 2k2i n SER 170 Cb 0.10 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2k2i n SER 170 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2i n LEU 171 N -0.49 -1.25 0.00 -3.43 -0.00 -1.26 -5.30 117.00 105.27 2k2i n LEU 171 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 2k2i n LEU 171 Cb 0.77 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2k2i n LEU 171 CO 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.71