#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eac n GLY 74 N 0.00 -1.81 3.88 0.00 0.00 -1.26 -5.12 105.19 100.89 3eac n GLY 74 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 3eac n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3eac s THR 75 N -2.29 1.99 0.24 2.61 -4.23 -1.26 -4.98 115.64 107.73 3eac s THR 75 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 3eac s THR 75 Cb 0.00 -2.94 0.11 0.00 1.34 0.00 0.00 72.50 71.00 3eac s THR 75 CO 0.00 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.32 3eac h LYS 76 N -1.28 0.87 -0.22 3.99 3.64 -2.02 -3.11 116.57 118.44 3eac h LYS 76 Ca -0.46 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 58.53 3eac h LYS 76 Cb 1.31 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3eac h LYS 76 CO 0.60 0.85 -0.49 1.25 -2.27 0.00 0.00 179.45 179.39 3eac h LEU 77 N 0.81 0.64 -1.56 5.20 5.85 -1.98 -3.17 115.31 121.10 3eac h LEU 77 Ca 0.16 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3eac h LEU 77 Cb 0.46 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3eac h LEU 77 CO 0.02 1.02 -0.15 0.77 -0.34 0.00 0.00 178.44 179.76 3eac h SER 78 N 0.46 0.00 -0.02 1.25 4.64 -1.92 -2.86 113.55 115.10 3eac h SER 78 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3eac h SER 78 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3eac h SER 78 CO 0.09 0.15 -0.04 0.18 -0.87 0.00 0.00 176.83 176.34 3eac n LEU 79 N -3.44 2.63 -4.74 5.97 4.77 -1.20 -4.95 117.00 116.05 3eac n LEU 79 Ca -0.01 -0.88 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 3eac n LEU 79 Cb 0.32 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3eac n LEU 79 CO 0.31 0.44 0.98 -0.04 -1.33 0.00 0.00 177.39 177.75 3eac s MET 80 N -2.04 4.39 0.48 3.23 -1.94 -1.08 -4.94 119.30 117.40 3eac s MET 80 Ca 0.29 2.07 0.15 0.00 -1.71 0.00 0.00 55.69 56.50 3eac s MET 80 Cb 0.20 -3.18 1.13 0.00 2.01 0.00 0.00 34.83 34.99 3eac s MET 80 CO 0.33 -0.24 2.06 -1.00 -0.01 0.00 0.00 175.02 176.16 3eac h PRO 81 N 5.12 0.00 0.00 2.03 0.13 -1.90 -2.63 132.00 134.74 3eac h PRO 81 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3eac h PRO 81 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3eac h PRO 81 CO 0.76 0.11 -0.51 0.11 -0.23 0.00 0.00 178.00 178.23 3eac h TRP 82 N 0.00 0.00 -3.35 1.56 5.08 -1.91 -1.07 115.95 116.27 3eac h TRP 82 Ca -0.00 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.38 3eac h TRP 82 Cb 0.19 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.27 3eac h TRP 82 CO 0.00 0.00 0.64 0.12 -1.28 0.00 0.00 178.44 177.92 3eac s PHE 83 N -3.24 3.19 -0.51 0.12 5.36 -0.99 -0.98 117.98 120.92 3eac s PHE 83 Ca 0.05 1.05 0.20 0.00 -0.96 0.00 0.00 56.93 57.26 3eac s PHE 83 Cb 0.10 -3.44 -0.26 0.00 -0.34 0.00 0.00 43.02 39.07 3eac s PHE 83 CO 0.72 -0.65 0.65 0.72 -1.46 0.00 0.00 175.22 175.19 3eac n HIS 84 N 6.52 0.00 -1.15 10.12 8.25 -0.91 -4.82 115.22 133.23 3eac n HIS 84 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3eac n HIS 84 Cb 0.47 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3eac n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3eac n GLY 85 N 1.41 0.74 2.91 -1.41 0.00 -1.26 -4.63 105.19 102.96 3eac n GLY 85 Ca 0.00 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 3eac n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3eac n LYS 86 N 5.28 3.91 -4.20 1.61 5.02 -1.26 0.27 118.16 128.79 3eac n LYS 86 Ca 0.00 -3.86 -0.28 0.00 -2.02 0.00 0.00 58.31 52.15 3eac n LYS 86 Cb 0.00 -2.79 -0.09 0.00 -0.02 0.00 0.00 35.03 32.13 3eac n LYS 86 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3eac s ILE 87 N -0.66 3.63 0.83 -0.18 -4.36 -1.25 -4.98 121.20 114.23 3eac s ILE 87 Ca 0.37 -1.30 -0.12 0.00 -0.26 0.00 0.00 60.65 59.34 3eac s ILE 87 Cb 0.08 -2.76 0.09 0.00 1.25 0.00 0.00 42.46 41.12 3eac s ILE 87 CO 0.04 0.01 1.14 0.42 0.24 0.00 0.00 174.94 176.79 3eac s THR 88 N -1.47 2.36 0.25 8.37 -4.23 -1.26 -4.52 115.64 115.13 3eac s THR 88 Ca 0.25 0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 3eac s THR 88 Cb -0.10 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.90 3eac s THR 88 CO 0.17 -0.15 1.81 -0.09 -0.54 0.00 0.00 174.62 175.81 3eac h ARG 89 N -1.15 1.02 -0.34 3.99 2.43 -1.99 -2.04 114.38 116.31 3eac h ARG 89 Ca -0.47 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 58.40 3eac h ARG 89 Cb 1.31 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3eac h ARG 89 CO 0.63 0.86 -0.21 0.93 -1.51 0.00 0.00 179.97 180.67 3eac h GLU 90 N 0.99 0.64 0.00 0.20 3.07 -2.00 -2.23 114.58 115.25 3eac h GLU 90 Ca 0.22 -0.24 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 3eac h GLU 90 Cb 0.24 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3eac h GLU 90 CO -0.01 0.81 -0.58 1.96 -1.40 0.00 0.00 179.01 179.78 3eac h GLN 91 N 0.57 0.00 -0.08 2.33 4.20 -1.89 -2.81 115.11 117.42 3eac h GLN 91 Ca 0.08 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 3eac h GLN 91 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3eac h GLN 91 CO 0.05 0.58 -0.56 0.00 -0.67 0.00 0.00 178.83 178.23 3eac h ALA 92 N 1.42 0.90 0.00 3.87 0.00 -1.10 -2.63 119.26 121.72 3eac h ALA 92 Ca -0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 3eac h ALA 92 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3eac h ALA 92 CO 0.08 0.70 -0.61 0.93 0.00 0.00 0.00 179.25 180.34 3eac h GLU 93 N 0.19 0.00 -0.07 0.00 5.08 -1.31 -2.56 114.58 115.90 3eac h GLU 93 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3eac h GLU 93 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3eac h GLU 93 CO 0.09 0.61 -0.77 0.00 -1.00 0.00 0.00 179.01 177.94 3eac h ARG 94 N 0.00 0.44 -0.12 2.33 3.08 -1.39 -3.30 114.38 115.42 3eac h ARG 94 Ca -0.01 -0.38 -0.20 0.00 0.07 0.00 0.00 59.98 59.46 3eac h ARG 94 Cb 1.16 0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.30 3eac h ARG 94 CO 0.08 1.02 -0.73 -0.07 -1.07 0.00 0.00 179.97 179.20 3eac h LEU 95 N 0.29 0.84 -4.80 3.04 3.38 -1.45 -3.32 115.31 113.30 3eac h LEU 95 Ca -0.04 -0.65 -0.53 0.00 0.09 0.00 0.00 57.88 56.75 3eac h LEU 95 Cb 1.36 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 3eac h LEU 95 CO 0.13 1.36 1.43 0.18 0.09 0.00 0.00 178.44 181.63 3eac n LEU 96 N -4.02 7.06 -3.79 1.67 4.77 -0.97 -4.83 117.00 116.89 3eac n LEU 96 Ca -0.08 -4.14 -0.13 0.00 -0.03 0.00 0.00 56.01 51.63 3eac n LEU 96 Cb 0.72 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 40.31 3eac n LEU 96 CO 0.51 1.88 -0.18 -0.47 -1.33 0.00 0.00 177.39 177.80 3eac s TYR 97 N -0.18 -0.20 0.53 -1.77 5.04 -1.25 -4.14 117.35 115.39 3eac s TYR 97 Ca 0.62 0.51 -0.20 0.00 -2.44 0.00 0.00 57.07 55.56 3eac s TYR 97 Cb 0.28 0.03 -0.06 0.00 0.35 0.00 0.00 41.96 42.55 3eac s TYR 97 CO -0.11 -0.13 1.11 -1.25 -1.34 0.00 0.00 175.55 173.83 3eac s PRO 98 N 0.52 3.44 -0.16 4.97 0.04 -1.26 -5.08 135.00 137.47 3eac s PRO 98 Ca -0.04 1.55 -0.40 0.00 0.04 0.00 0.00 61.00 62.16 3eac s PRO 98 Cb -0.05 -2.02 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 3eac s PRO 98 CO -0.03 -0.77 1.56 -2.30 0.04 0.00 0.00 177.00 175.51 3eac n PRO 99 N -1.26 0.99 -4.09 0.56 -0.02 -1.26 -4.98 135.00 124.94 3eac n PRO 99 Ca 0.11 0.36 -0.23 0.00 -2.02 0.00 0.00 63.50 61.72 3eac n PRO 99 Cb 0.51 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.82 3eac n PRO 99 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3eac s GLU 100 N 2.30 1.05 -0.45 -0.52 2.12 -1.26 -4.94 118.70 117.00 3eac s GLU 100 Ca 0.94 -0.13 -0.27 0.00 0.36 0.00 0.00 54.97 55.87 3eac s GLU 100 Cb -1.08 -1.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.16 3eac s GLU 100 CO 0.60 -0.15 2.19 0.99 -0.54 0.00 0.00 175.26 178.36 3eac s THR 101 N 1.27 3.13 0.00 -1.70 2.01 -1.26 -1.36 115.64 117.72 3eac s THR 101 Ca -0.05 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3eac s THR 101 Cb -0.14 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.10 3eac s THR 101 CO -0.02 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 3eac n GLY 102 N 5.83 0.90 3.67 4.40 0.00 -1.19 -4.83 105.19 113.97 3eac n GLY 102 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 3eac n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3eac s LEU 103 N 0.00 4.24 0.04 0.99 2.96 -0.47 -1.40 118.68 125.05 3eac s LEU 103 Ca 0.00 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.75 3eac s LEU 103 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3eac s LEU 103 CO 0.00 -0.77 0.06 0.72 -1.32 0.00 0.00 176.35 175.04 3eac s PHE 104 N 3.34 0.27 0.02 5.38 -0.71 -0.48 -0.87 117.98 124.92 3eac s PHE 104 Ca 0.60 -0.63 -0.16 0.00 -1.04 0.00 0.00 56.93 55.70 3eac s PHE 104 Cb -0.26 -0.19 0.03 0.00 -1.21 0.00 0.00 43.02 41.39 3eac s PHE 104 CO 0.20 -0.36 0.36 -0.48 -1.34 0.00 0.00 175.22 173.60 3eac s LEU 105 N -2.26 0.65 -0.24 -1.99 0.05 0.39 -0.65 118.68 114.64 3eac s LEU 105 Ca -0.03 0.02 -0.05 0.00 0.05 0.00 0.00 54.13 54.12 3eac s LEU 105 Cb 0.00 1.49 -0.01 0.00 -2.05 0.00 0.00 46.19 45.63 3eac s LEU 105 CO -0.06 -0.56 -0.01 -0.69 -0.55 0.00 0.00 176.35 174.48 3eac s VAL 106 N -1.98 3.59 0.09 1.48 1.01 -0.16 -0.85 120.40 123.58 3eac s VAL 106 Ca -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3eac s VAL 106 Cb -0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3eac s VAL 106 CO 0.01 0.34 0.10 0.00 0.00 0.00 0.00 175.10 175.55 3eac s ARG 107 N 1.50 2.95 -0.18 2.72 1.70 -0.98 -2.14 118.95 124.52 3eac s ARG 107 Ca 0.05 -0.68 -0.03 0.00 -0.47 0.00 0.00 55.73 54.59 3eac s ARG 107 Cb -0.15 -2.75 -0.02 0.00 -0.57 0.00 0.00 34.95 31.46 3eac s ARG 107 CO -0.01 0.56 -0.05 -2.00 -1.08 0.00 0.00 175.30 172.72 3eac s GLU 108 N -2.50 3.51 0.19 3.89 2.12 0.14 -0.67 118.70 125.39 3eac s GLU 108 Ca 0.30 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 3eac s GLU 108 Cb -0.12 -2.91 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 3eac s GLU 108 CO 0.23 0.06 1.16 0.45 -0.54 0.00 0.00 175.26 176.62 3eac s SER 109 N 0.82 7.15 -0.72 -1.70 0.15 0.13 -3.94 113.70 115.59 3eac s SER 109 Ca -0.02 2.20 -0.08 0.00 0.70 0.00 0.00 55.95 58.76 3eac s SER 109 Cb -0.15 -2.61 -0.18 0.00 -1.71 0.00 0.00 66.02 61.37 3eac s SER 109 CO 0.02 -0.31 3.23 0.35 1.20 0.00 0.00 173.24 177.72 3eac n THR 110 N 2.32 3.48 0.00 6.45 -2.24 -1.26 -4.33 114.28 118.69 3eac n THR 110 Ca 0.03 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 3eac n THR 110 Cb 0.45 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 3eac n THR 110 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3eac n ASN 111 N 3.03 0.00 -1.61 3.42 4.05 -1.26 -4.95 115.26 117.93 3eac n ASN 111 Ca 0.57 0.35 -0.01 0.00 0.45 0.00 0.00 54.58 55.95 3eac n ASN 111 Cb 0.58 -0.25 -0.01 0.00 1.23 0.00 0.00 39.78 41.33 3eac n ASN 111 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3eac n TYR 112 N -1.26 -0.54 -3.41 1.20 9.36 -1.26 -5.18 117.16 116.07 3eac n TYR 112 Ca 0.00 0.32 -0.34 0.00 3.32 0.00 0.00 57.90 61.20 3eac n TYR 112 Cb 0.00 -1.81 -0.06 0.00 -0.63 0.00 0.00 39.34 36.85 3eac n TYR 112 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3eac s PRO 113 N -0.99 3.88 -0.77 2.98 0.04 -1.26 -3.34 135.00 135.53 3eac s PRO 113 Ca -0.03 0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.38 3eac s PRO 113 Cb 0.00 -2.82 0.19 0.00 0.04 0.00 0.00 34.50 31.91 3eac s PRO 113 CO 0.09 0.42 0.61 0.20 0.04 0.00 0.00 177.00 178.36 3eac s GLY 114 N -2.00 2.94 -0.79 0.56 0.00 -1.26 -5.11 107.32 101.66 3eac s GLY 114 Ca 0.41 -3.76 -0.25 0.00 0.00 0.00 0.00 44.72 41.12 3eac s GLY 114 CO 0.20 1.13 1.76 -0.35 0.00 0.00 0.00 173.10 175.84 3eac s ASP 115 N -0.62 5.51 0.32 1.64 2.15 -1.21 -4.94 116.67 119.52 3eac s ASP 115 Ca 0.25 -0.37 -0.08 0.00 0.43 0.00 0.00 52.55 52.77 3eac s ASP 115 Cb -0.08 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 39.92 3eac s ASP 115 CO -0.13 -2.32 0.64 -0.31 -0.17 0.00 0.00 175.17 172.88 3eac s TYR 116 N 8.45 3.46 -0.13 -5.34 4.12 -1.26 0.21 117.35 126.87 3eac s TYR 116 Ca 0.61 0.85 -0.03 0.00 0.02 0.00 0.00 57.07 58.53 3eac s TYR 116 Cb -0.08 -2.27 0.04 0.00 -1.52 0.00 0.00 41.96 38.13 3eac s TYR 116 CO 0.08 0.09 0.04 0.99 0.02 0.00 0.00 175.55 176.77 3eac s THR 117 N -2.12 0.28 -0.60 -0.71 2.01 0.15 -1.23 115.64 113.42 3eac s THR 117 Ca 0.48 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.08 3eac s THR 117 Cb -0.11 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.75 3eac s THR 117 CO 0.28 -0.01 1.45 -0.22 -0.69 0.00 0.00 174.62 175.43 3eac s LEU 118 N 1.99 3.34 -0.37 4.42 2.96 0.11 -2.31 118.68 128.81 3eac s LEU 118 Ca 0.02 0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.91 3eac s LEU 118 Cb -0.15 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.66 3eac s LEU 118 CO -0.07 -1.82 0.43 0.00 -1.32 0.00 0.00 176.35 173.57 3eac s VAL 120 N 2.18 0.77 -0.32 0.00 0.11 -0.92 -0.46 120.40 121.76 3eac s VAL 120 Ca 0.14 -0.40 -0.21 0.00 -2.93 0.00 0.00 61.98 58.58 3eac s VAL 120 Cb -0.16 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.03 3eac s VAL 120 CO 0.13 0.22 0.68 -0.55 -3.33 0.00 0.00 175.10 172.25 3eac s SER 121 N -0.11 6.53 -0.01 3.54 0.15 -0.05 -0.79 113.70 122.96 3eac s SER 121 Ca 0.02 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.12 3eac s SER 121 Cb -0.05 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3eac s SER 121 CO -0.00 -0.55 -0.03 0.00 1.20 0.00 0.00 173.24 173.87 3eac n ASP 123 N 3.25 -4.46 0.00 0.00 10.43 -1.26 -1.77 116.55 122.74 3eac n ASP 123 Ca -0.16 -0.55 0.00 0.00 2.57 0.00 0.00 54.79 56.65 3eac n ASP 123 Cb 0.57 -3.62 0.00 0.00 1.84 0.00 0.00 41.12 39.91 3eac n ASP 123 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3eac n GLY 124 N -1.43 0.75 3.24 0.44 0.00 -1.26 -5.04 105.19 101.89 3eac n GLY 124 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3eac n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3eac s LYS 125 N -0.37 0.94 -0.28 1.61 -2.85 -0.73 -4.85 119.74 113.22 3eac s LYS 125 Ca 0.00 -1.07 -0.19 0.00 -1.00 0.00 0.00 55.97 53.71 3eac s LYS 125 Cb 0.00 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 3eac s LYS 125 CO 0.00 -0.31 0.56 0.08 0.10 0.00 0.00 175.35 175.78 3eac s VAL 126 N -3.91 5.02 -0.18 1.79 1.01 -1.26 -0.31 120.40 122.56 3eac s VAL 126 Ca 0.10 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 62.84 3eac s VAL 126 Cb 0.05 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3eac s VAL 126 CO -0.07 -0.00 0.16 -1.61 0.00 0.00 0.00 175.10 173.58 3eac s GLU 127 N 2.41 4.08 -0.35 2.72 0.41 0.03 -4.95 118.70 123.06 3eac s GLU 127 Ca 0.22 -0.15 -0.11 0.00 -0.41 0.00 0.00 54.97 54.52 3eac s GLU 127 Cb -0.15 -3.38 0.01 0.00 -1.78 0.00 0.00 34.13 28.82 3eac s GLU 127 CO 0.10 0.37 0.20 -1.01 -0.49 0.00 0.00 175.26 174.43 3eac s HIS 128 N 0.14 3.22 -0.43 1.61 3.76 -1.26 -2.17 115.29 120.15 3eac s HIS 128 Ca 0.11 -0.71 -0.12 0.00 -0.15 0.00 0.00 55.06 54.19 3eac s HIS 128 Cb -0.12 -2.43 0.07 0.00 1.11 0.00 0.00 32.58 31.21 3eac s HIS 128 CO 0.00 -0.54 0.31 0.71 -0.85 0.00 0.00 174.74 174.37 3eac s TYR 129 N 1.60 3.28 0.02 1.40 1.51 -0.11 -4.94 117.35 120.11 3eac s TYR 129 Ca 0.04 -1.16 -0.30 0.00 -1.01 0.00 0.00 57.07 54.63 3eac s TYR 129 Cb -0.18 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 38.68 3eac s TYR 129 CO 0.07 -0.79 1.07 0.50 -1.11 0.00 0.00 175.55 175.29 3eac s ARG 130 N 1.54 4.50 -0.01 -0.62 6.06 -1.26 0.07 118.95 129.22 3eac s ARG 130 Ca 0.03 1.55 -0.30 0.00 -2.50 0.00 0.00 55.73 54.52 3eac s ARG 130 Cb -0.23 -3.43 -0.03 0.00 0.06 0.00 0.00 34.95 31.33 3eac s ARG 130 CO 0.05 -0.15 0.98 0.42 -2.50 0.00 0.00 175.30 174.10 3eac s ILE 131 N 1.11 4.86 0.20 4.11 1.09 -0.37 -4.59 121.20 127.61 3eac s ILE 131 Ca 0.54 2.06 0.09 0.00 -1.10 0.00 0.00 60.65 62.24 3eac s ILE 131 Cb -0.24 -4.32 -0.04 0.00 -1.06 0.00 0.00 42.46 36.80 3eac s ILE 131 CO 0.28 0.14 -0.08 0.00 -0.10 0.00 0.00 174.94 175.18 3eac s MET 132 N 1.13 2.11 -0.22 2.79 0.23 -0.12 -4.61 119.30 120.61 3eac s MET 132 Ca 0.52 -1.30 -0.00 0.00 -1.03 0.00 0.00 55.69 53.88 3eac s MET 132 Cb -0.21 -2.16 0.03 0.00 -1.53 0.00 0.00 34.83 30.96 3eac s MET 132 CO 0.27 0.42 -0.12 0.71 -2.03 0.00 0.00 175.02 174.27 3eac s TYR 133 N -1.83 3.00 -0.28 3.16 2.02 -1.26 -2.15 117.35 120.00 3eac s TYR 133 Ca 0.26 -1.69 0.02 0.00 -0.37 0.00 0.00 57.07 55.30 3eac s TYR 133 Cb -0.08 -1.99 0.07 0.00 -0.40 0.00 0.00 41.96 39.55 3eac s TYR 133 CO 0.16 -0.77 -0.06 -1.01 -1.57 0.00 0.00 175.55 172.30 3eac s HIS 134 N 1.28 3.37 -1.30 2.71 3.76 -0.60 -4.75 115.29 119.76 3eac s HIS 134 Ca 0.01 -2.40 -0.01 0.00 -0.15 0.00 0.00 55.06 52.50 3eac s HIS 134 Cb -0.16 -2.17 -0.00 0.00 1.11 0.00 0.00 32.58 31.36 3eac s HIS 134 CO -0.07 -0.89 0.68 0.00 -0.85 0.00 0.00 174.74 173.61 3eac n ALA 135 N 4.43 -2.06 -1.67 -1.40 0.00 -1.26 -2.11 120.51 116.43 3eac n ALA 135 Ca -0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 3eac n ALA 135 Cb 0.42 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 3eac n ALA 135 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3eac n SER 136 N -3.03 -5.15 -4.40 0.00 7.64 -1.26 -5.00 113.62 102.42 3eac n SER 136 Ca -0.28 0.35 -0.32 0.00 1.01 0.00 0.00 58.87 59.63 3eac n SER 136 Cb 0.67 -4.21 -0.14 0.00 -1.01 0.00 0.00 64.21 59.52 3eac n SER 136 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3eac s LYS 137 N -3.76 2.78 -0.04 1.43 -0.14 -0.90 -4.90 119.74 114.21 3eac s LYS 137 Ca 0.00 -0.74 -0.16 0.00 -1.36 0.00 0.00 55.97 53.71 3eac s LYS 137 Cb 0.00 -2.41 -0.05 0.00 -1.68 0.00 0.00 37.83 33.69 3eac s LYS 137 CO 0.00 0.44 0.42 -0.51 -0.76 0.00 0.00 175.35 174.95 3eac s LEU 138 N -0.27 4.40 0.15 3.17 1.02 -0.36 -1.57 118.68 125.23 3eac s LEU 138 Ca 0.01 0.89 -0.16 0.00 0.02 0.00 0.00 54.13 54.90 3eac s LEU 138 Cb -0.13 -2.60 0.03 0.00 0.02 0.00 0.00 46.19 43.50 3eac s LEU 138 CO 0.03 0.22 0.42 -0.55 0.02 0.00 0.00 176.35 176.49 3eac s SER 139 N -0.48 -0.20 0.00 2.29 0.15 -0.91 -0.52 113.70 114.02 3eac s SER 139 Ca 0.24 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.45 3eac s SER 139 Cb -0.16 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3eac s SER 139 CO 0.12 -0.92 0.41 2.30 1.20 0.00 0.00 173.24 176.34 3eac n ILE 140 N -0.26 0.15 -1.07 6.45 -5.35 -1.26 -0.94 119.36 117.08 3eac n ILE 140 Ca -0.13 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3eac n ILE 140 Cb 0.63 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 3eac n ILE 140 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3eac n ASP 141 N -0.08 0.00 -1.66 7.28 5.75 -1.26 -4.88 116.55 121.71 3eac n ASP 141 Ca 0.00 -0.84 -0.21 0.00 -0.01 0.00 0.00 54.79 53.73 3eac n ASP 141 Cb 0.30 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.31 3eac n ASP 141 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3eac n GLU 142 N 0.00 -1.46 0.00 0.11 1.02 -1.26 -4.79 120.64 114.26 3eac n GLU 142 Ca 0.00 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 3eac n GLU 142 Cb 0.21 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.01 3eac n GLU 142 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3eac n GLU 143 N -2.44 0.00 -4.07 3.49 -0.58 -1.26 -5.03 120.64 110.75 3eac n GLU 143 Ca -0.21 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.18 3eac n GLU 143 Cb 0.68 -0.52 -0.12 0.00 -0.57 0.00 0.00 31.44 30.91 3eac n GLU 143 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3eac s VAL 144 N -1.98 4.01 0.13 2.62 1.01 -1.26 -5.11 120.40 119.82 3eac s VAL 144 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3eac s VAL 144 Cb 0.00 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3eac s VAL 144 CO 0.00 0.43 -0.21 -0.31 0.00 0.00 0.00 175.10 175.01 3eac s TYR 145 N 0.97 2.45 0.12 5.22 1.51 -1.26 -4.46 117.35 121.90 3eac s TYR 145 Ca 0.02 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 3eac s TYR 145 Cb -0.14 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 3eac s TYR 145 CO 0.02 0.39 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.69 3eac s PHE 146 N -1.21 1.18 0.06 2.71 0.40 0.32 -4.95 117.98 116.49 3eac s PHE 146 Ca 0.18 -0.69 -0.16 0.00 -0.60 0.00 0.00 56.93 55.66 3eac s PHE 146 Cb -0.10 -0.62 -0.19 0.00 0.51 0.00 0.00 43.02 42.61 3eac s PHE 146 CO 0.09 0.05 1.22 0.93 0.70 0.00 0.00 175.22 178.21 3eac h GLU 147 N 3.24 0.64 -4.36 0.44 4.39 -1.90 -0.94 114.58 116.08 3eac h GLU 147 Ca -0.37 -0.58 -0.26 0.00 0.34 0.00 0.00 59.36 58.49 3eac h GLU 147 Cb 1.19 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.86 3eac h GLU 147 CO 0.57 1.20 -0.40 0.54 -1.16 0.00 0.00 179.01 179.76 3eac s ASN 148 N -6.98 0.57 0.33 1.42 4.22 -1.26 -4.68 114.94 108.57 3eac s ASN 148 Ca -0.11 -1.39 0.08 0.00 -2.14 0.00 0.00 52.86 49.29 3eac s ASN 148 Cb 0.07 0.52 0.59 0.00 1.28 0.00 0.00 41.25 43.70 3eac s ASN 148 CO 0.88 -1.05 1.79 0.25 -2.04 0.00 0.00 177.10 176.92 3eac h LEU 149 N 2.34 0.23 -1.13 3.54 5.85 -1.97 -2.76 115.31 121.40 3eac h LEU 149 Ca -0.30 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 3eac h LEU 149 Cb 1.24 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3eac h LEU 149 CO 0.43 0.53 -0.12 0.24 -0.34 0.00 0.00 178.44 179.19 3eac h MET 150 N 0.20 0.00 0.01 1.25 2.86 -2.00 -2.01 114.93 115.25 3eac h MET 150 Ca 0.03 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.46 3eac h MET 150 Cb 0.65 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 3eac h MET 150 CO 0.05 0.12 -0.99 1.96 1.06 0.00 0.00 176.91 179.10 3eac h GLN 151 N 0.00 0.02 -0.08 1.72 4.20 -1.92 -2.91 115.11 116.15 3eac h GLN 151 Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3eac h GLN 151 Cb 0.69 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 3eac h GLN 151 CO 0.02 0.99 -0.01 1.25 -0.67 0.00 0.00 178.83 180.41 3eac h LEU 152 N 0.01 0.15 -0.45 1.46 6.46 -1.25 -2.59 115.31 119.09 3eac h LEU 152 Ca -0.02 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.35 3eac h LEU 152 Cb 1.74 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.61 3eac h LEU 152 CO 0.13 0.47 0.15 0.58 -0.62 0.00 0.00 178.44 179.15 3eac h VAL 153 N -0.17 1.22 -0.90 1.05 2.07 -1.49 -2.20 116.25 115.83 3eac h VAL 153 Ca 0.02 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.88 3eac h VAL 153 Cb 0.40 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3eac h VAL 153 CO 0.01 0.26 0.57 -0.08 0.02 0.00 0.00 177.57 178.34 3eac h GLU 154 N 0.59 1.02 -0.12 1.57 4.81 -1.55 -0.67 114.58 120.23 3eac h GLU 154 Ca 0.15 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3eac h GLU 154 Cb 0.25 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3eac h GLU 154 CO -0.01 0.68 -0.06 1.25 -0.73 0.00 0.00 179.01 180.14 3eac h HIS 155 N 1.06 0.30 0.00 0.92 2.76 -1.29 -3.22 115.15 115.67 3eac h HIS 155 Ca 0.38 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 3eac h HIS 155 Cb 0.12 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.01 3eac h HIS 155 CO -0.02 0.61 0.00 0.66 -1.30 0.00 0.00 177.93 177.88 3eac n TYR 156 N -4.68 0.55 -0.06 5.26 4.02 -0.84 -2.51 117.16 118.89 3eac n TYR 156 Ca -0.06 0.17 -0.15 0.00 -0.01 0.00 0.00 57.90 57.85 3eac n TYR 156 Cb 0.29 -0.78 -0.03 0.00 -0.02 0.00 0.00 39.34 38.79 3eac n TYR 156 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3eac h THR 157 N 0.00 1.28 0.02 -0.72 2.02 -1.13 0.47 112.91 114.84 3eac h THR 157 Ca 0.00 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.36 3eac h THR 157 Cb 0.55 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3eac h THR 157 CO 0.00 0.58 -0.13 -1.28 0.37 0.00 0.00 175.52 175.06 3eac h SER 158 N 0.62 0.08 -4.64 4.18 0.87 -1.53 -3.36 113.55 109.77 3eac h SER 158 Ca 0.00 -0.95 -0.31 0.00 -1.23 0.00 0.00 61.79 59.30 3eac h SER 158 Cb 1.20 -0.03 -0.21 0.00 -0.44 0.00 0.00 62.40 62.93 3eac h SER 158 CO 0.13 1.02 -0.74 1.51 -0.53 0.00 0.00 176.83 178.21 3eac s ASP 159 N -6.30 1.14 0.07 6.23 -4.77 -1.05 -5.02 116.67 106.97 3eac s ASP 159 Ca -0.18 -0.62 -0.21 0.00 -3.30 0.00 0.00 52.55 48.24 3eac s ASP 159 Cb -0.02 0.02 -0.12 0.00 -1.09 0.00 0.00 42.92 41.70 3eac s ASP 159 CO 0.71 -0.19 1.54 0.00 0.70 0.00 0.00 175.17 177.93 3eac h ALA 160 N 4.25 0.18 -6.50 2.11 0.00 -1.86 -3.36 119.26 114.08 3eac h ALA 160 Ca -0.37 -0.15 -0.50 0.00 0.00 0.00 0.00 54.91 53.89 3eac h ALA 160 Cb 1.20 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3eac h ALA 160 CO 0.43 -0.17 -0.90 -3.47 0.00 0.00 0.00 179.25 175.14 3eac n ASP 161 N -4.83 -1.05 0.00 0.00 4.64 -1.26 -1.81 116.55 112.25 3eac n ASP 161 Ca -0.05 -1.03 0.00 0.00 -1.38 0.00 0.00 54.79 52.33 3eac n ASP 161 Cb 0.17 -2.98 0.00 0.00 -1.04 0.00 0.00 41.12 37.27 3eac n ASP 161 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3eac n GLY 162 N -1.98 3.28 3.81 0.27 0.00 -1.26 -5.05 105.19 104.26 3eac n GLY 162 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3eac n GLY 162 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3eac s LEU 163 N 0.00 2.80 0.39 0.99 2.96 -0.75 -4.97 118.68 120.11 3eac s LEU 163 Ca 0.00 1.44 0.12 0.00 -0.22 0.00 0.00 54.13 55.48 3eac s LEU 163 Cb 0.00 -4.15 0.81 0.00 0.50 0.00 0.00 46.19 43.34 3eac s LEU 163 CO 0.00 -1.79 1.89 0.00 -1.32 0.00 0.00 176.35 175.13 3eac s THR 165 N -4.45 0.03 0.52 0.00 2.01 -1.26 -4.96 115.64 107.53 3eac s THR 165 Ca -0.04 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.53 3eac s THR 165 Cb 0.15 -1.07 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 3eac s THR 165 CO 0.72 -0.11 1.23 -0.13 -0.69 0.00 0.00 174.62 175.63 3eac s ARG 166 N -3.77 3.36 -1.28 4.92 0.52 -1.26 -4.76 118.95 116.68 3eac s ARG 166 Ca 0.02 1.91 -0.18 0.00 -0.52 0.00 0.00 55.73 56.95 3eac s ARG 166 Cb -0.00 -2.22 0.03 0.00 0.52 0.00 0.00 34.95 33.28 3eac s ARG 166 CO -0.12 -0.91 1.86 1.28 0.02 0.00 0.00 175.30 177.42 3eac n LEU 167 N -0.97 4.88 0.10 2.53 4.77 0.16 -4.42 117.00 124.04 3eac n LEU 167 Ca 0.10 -3.78 -0.05 0.00 -0.03 0.00 0.00 56.01 52.25 3eac n LEU 167 Cb 0.48 -1.71 -0.03 0.00 -2.33 0.00 0.00 43.42 39.84 3eac n LEU 167 CO 0.48 -0.07 0.14 0.40 -1.33 0.00 0.00 177.39 177.01 3eac h ILE 168 N 5.38 0.00 -3.27 -0.08 2.04 -1.70 -3.40 117.51 116.48 3eac h ILE 168 Ca 0.43 -0.74 -0.67 0.00 1.00 0.00 0.00 64.86 64.88 3eac h ILE 168 Cb 0.84 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 36.58 3eac h ILE 168 CO 1.51 0.00 -0.81 -0.75 0.00 0.00 0.00 178.15 178.10 3eac s LYS 169 N -2.66 2.96 0.23 2.37 2.20 -0.49 -5.01 119.74 119.34 3eac s LYS 169 Ca -0.05 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.39 3eac s LYS 169 Cb 0.01 -2.75 -0.09 0.00 -1.51 0.00 0.00 37.83 33.49 3eac s LYS 169 CO 0.15 -0.27 1.00 -2.14 -0.36 0.00 0.00 175.35 173.73 3eac s PRO 170 N 1.31 4.75 -0.18 4.03 0.02 -1.26 -1.39 135.00 142.28 3eac s PRO 170 Ca 0.03 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.35 3eac s PRO 170 Cb -0.14 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 3eac s PRO 170 CO -0.09 0.34 1.46 0.21 -0.33 0.00 0.00 177.00 178.60 3eac s LYS 171 N -1.00 4.02 0.06 5.54 2.47 0.18 -4.86 119.74 126.16 3eac s LYS 171 Ca 0.44 1.70 -0.31 0.00 -1.56 0.00 0.00 55.97 56.24 3eac s LYS 171 Cb -0.28 -3.92 -0.10 0.00 -1.46 0.00 0.00 37.83 32.08 3eac s LYS 171 CO 0.34 -1.00 1.91 0.28 0.16 0.00 0.00 175.35 177.05 3eac n VAL 172 N 5.88 0.59 -1.09 4.02 0.31 -1.26 -4.30 118.33 122.48 3eac n VAL 172 Ca 0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3eac n VAL 172 Cb 0.45 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 3eac n VAL 172 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31