#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kod s ARG 2 N 0.00 -0.02 0.19 3.17 0.52 -1.11 0.29 118.95 122.00 3kod s ARG 2 Ca 0.00 0.27 0.09 0.00 -0.52 0.00 0.00 55.73 55.56 3kod s ARG 2 Cb 0.00 -0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 3kod s ARG 2 CO 0.00 -0.20 -0.06 0.54 0.02 0.00 0.00 175.30 175.60 3kod s VAL 3 N 1.33 3.37 -0.17 3.52 0.11 -1.06 -0.44 120.40 127.06 3kod s VAL 3 Ca -0.06 -1.63 -0.02 0.00 -2.93 0.00 0.00 61.98 57.34 3kod s VAL 3 Cb -0.13 -2.70 -0.01 0.00 -1.53 0.00 0.00 36.38 32.02 3kod s VAL 3 CO -0.04 -0.15 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.81 3kod s VAL 4 N -1.80 3.24 -0.19 2.04 1.01 0.37 -2.87 120.40 122.20 3kod s VAL 4 Ca 0.26 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3kod s VAL 4 Cb -0.09 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3kod s VAL 4 CO 0.17 0.48 -0.03 -0.63 0.00 0.00 0.00 175.10 175.09 3kod s ILE 5 N 0.83 3.78 -0.07 2.22 1.01 -0.53 0.04 121.20 128.48 3kod s ILE 5 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.29 3kod s ILE 5 Cb -0.15 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3kod s ILE 5 CO 0.01 0.45 -0.19 -1.10 0.00 0.00 0.00 174.94 174.11 3kod s GLN 6 N 0.85 2.65 0.10 2.79 -0.21 0.15 -1.88 119.66 124.12 3kod s GLN 6 Ca -0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.36 54.28 3kod s GLN 6 Cb -0.14 -2.31 -0.06 0.00 1.00 0.00 0.00 33.01 31.50 3kod s GLN 6 CO 0.02 0.44 1.05 0.50 -2.12 0.00 0.00 175.29 175.18 3kod s ARG 7 N -0.29 4.59 0.30 2.91 3.52 -0.43 -0.45 118.95 129.10 3kod s ARG 7 Ca 0.01 1.59 0.03 0.00 -0.13 0.00 0.00 55.73 57.23 3kod s ARG 7 Cb -0.13 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3kod s ARG 7 CO 0.03 0.03 0.16 0.14 -0.81 0.00 0.00 175.30 174.85 3kod s VAL 8 N 0.31 0.29 0.00 7.11 -7.23 0.26 -0.15 120.40 120.99 3kod s VAL 8 Ca 0.51 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 3kod s VAL 8 Cb -0.26 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.17 3kod s VAL 8 CO 0.31 0.00 0.05 0.29 -0.31 0.00 0.00 175.10 175.44 3kod n LYS 9 N -0.56 5.80 0.00 4.82 5.02 -0.97 -1.68 118.16 130.58 3kod n LYS 9 Ca 0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3kod n LYS 9 Cb 0.65 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 3kod n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kod n GLY 10 N 0.84 2.06 3.28 0.72 0.00 -0.99 -1.95 105.19 109.15 3kod n GLY 10 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 3kod n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kod s ALA 11 N -2.00 -0.99 -0.22 4.61 0.00 0.21 -2.22 121.76 121.15 3kod s ALA 11 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.18 3kod s ALA 11 Cb 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.46 3kod s ALA 11 CO 0.00 -0.20 -0.11 0.42 0.00 0.00 0.00 175.76 175.86 3kod s ILE 12 N 0.46 1.83 -0.21 0.00 1.01 0.14 -2.06 121.20 122.37 3kod s ILE 12 Ca -0.02 -1.19 -0.05 0.00 0.00 0.00 0.00 60.65 59.39 3kod s ILE 12 Cb -0.04 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 3kod s ILE 12 CO -0.02 0.14 -0.00 -0.22 0.00 0.00 0.00 174.94 174.84 3kod s LEU 13 N 1.30 3.19 0.35 2.97 0.20 -1.13 -0.05 118.68 125.50 3kod s LEU 13 Ca -0.03 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.59 3kod s LEU 13 Cb -0.17 -1.81 -0.07 0.00 -0.43 0.00 0.00 46.19 43.71 3kod s LEU 13 CO -0.08 0.03 0.05 -0.44 -0.29 0.00 0.00 176.35 175.62 3kod s SER 14 N 1.18 2.72 0.00 3.68 0.01 0.28 -1.36 113.70 120.20 3kod s SER 14 Ca 0.03 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.91 3kod s SER 14 Cb -0.14 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3kod s SER 14 CO 0.01 -0.58 0.00 1.33 0.41 0.00 0.00 173.24 174.41 3kod n VAL 15 N -0.75 0.00 -4.04 3.43 0.24 -1.07 -1.33 118.33 114.81 3kod n VAL 15 Ca -0.03 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.92 3kod n VAL 15 Cb 0.67 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.90 3kod n VAL 15 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kod s ARG 16 N 1.13 3.40 0.00 7.34 0.52 -1.26 -3.02 118.95 127.06 3kod s ARG 16 Ca 0.00 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 3kod s ARG 16 Cb 0.00 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.51 3kod s ARG 16 CO 0.00 -0.12 0.10 -1.91 0.02 0.00 0.00 175.30 173.39 3kod n GLU 26 N 4.57 0.00 -4.12 3.54 2.13 -1.26 -4.74 120.64 120.76 3kod n GLU 26 Ca -0.18 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.49 3kod n GLU 26 Cb 0.51 -1.11 -0.13 0.00 0.27 0.00 0.00 31.44 30.98 3kod n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3kod s LEU 27 N -1.14 2.09 -0.32 4.31 1.43 -1.26 -5.14 118.68 118.65 3kod s LEU 27 Ca 0.00 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3kod s LEU 27 Cb 0.00 -0.23 0.13 0.00 0.03 0.00 0.00 46.19 46.12 3kod s LEU 27 CO 0.00 -0.03 0.25 -0.70 0.23 0.00 0.00 176.35 176.11 3kod s GLU 28 N -0.61 0.42 0.23 1.70 2.12 -1.17 -4.92 118.70 116.47 3kod s GLU 28 Ca -0.02 -0.71 -0.28 0.00 0.36 0.00 0.00 54.97 54.32 3kod s GLU 28 Cb -0.05 -0.95 -0.16 0.00 0.26 0.00 0.00 34.13 33.23 3kod s GLU 28 CO -0.00 -1.11 0.74 -0.89 -0.54 0.00 0.00 175.26 173.46 3kod n ILE 29 N 4.72 1.91 0.00 -3.70 -0.00 -1.26 -2.60 119.36 118.43 3kod n ILE 29 Ca 0.04 -0.48 0.00 0.00 -0.00 0.00 0.00 62.75 62.31 3kod n ILE 29 Cb 0.43 -0.41 0.00 0.00 -0.00 0.00 0.00 39.64 39.66 3kod n ILE 29 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 3kod n ILE 30 N 0.18 0.00 -4.31 1.39 -5.35 -0.46 -4.94 119.36 105.87 3kod n ILE 30 Ca 0.15 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.43 3kod n ILE 30 Cb 0.27 -0.07 -0.11 0.00 -1.74 0.00 0.00 39.64 37.99 3kod n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3kod s SER 31 N -2.88 2.43 -0.28 7.28 0.01 -1.25 -5.03 113.70 113.97 3kod s SER 31 Ca 0.00 -0.89 -0.17 0.00 1.31 0.00 0.00 55.95 56.20 3kod s SER 31 Cb 0.00 -0.12 0.08 0.00 0.21 0.00 0.00 66.02 66.19 3kod s SER 31 CO 0.00 -0.11 0.69 -0.70 0.41 0.00 0.00 173.24 173.53 3kod s GLU 32 N -2.99 0.72 0.21 12.44 2.12 -1.26 -2.84 118.70 127.10 3kod s GLU 32 Ca 0.15 1.20 0.06 0.00 0.36 0.00 0.00 54.97 56.74 3kod s GLU 32 Cb -0.04 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.47 3kod s GLU 32 CO 0.05 -0.14 -0.10 0.96 -0.54 0.00 0.00 175.26 175.49 3kod s ILE 33 N 1.49 1.49 0.00 -3.70 -4.36 -0.87 -4.99 121.20 110.25 3kod s ILE 33 Ca -0.09 -2.14 0.00 0.00 -0.26 0.00 0.00 60.65 58.16 3kod s ILE 33 Cb -0.05 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.55 3kod s ILE 33 CO -0.17 -0.54 0.00 0.29 0.24 0.00 0.00 174.94 174.75 3kod n LYS 34 N -0.38 1.59 -1.67 0.37 4.76 -1.26 -0.62 118.16 120.95 3kod n LYS 34 Ca -0.08 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 54.90 3kod n LYS 34 Cb 0.61 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.76 3kod n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kod n ASN 35 N 0.00 3.07 0.00 4.39 3.02 -0.82 -2.35 115.26 122.57 3kod n ASN 35 Ca 0.00 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 3kod n ASN 35 Cb 0.00 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.76 3kod n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kod n GLY 36 N 3.48 -0.14 3.48 7.41 0.00 -0.68 -2.03 105.19 116.72 3kod n GLY 36 Ca 0.18 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3kod n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kod s LEU 37 N 0.00 2.73 -0.17 0.99 1.43 0.65 0.90 118.68 125.20 3kod s LEU 37 Ca 0.00 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3kod s LEU 37 Cb 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3kod s LEU 37 CO 0.00 0.28 0.04 -0.51 0.23 0.00 0.00 176.35 176.39 3kod s ILE 38 N -0.90 4.63 -0.27 -0.59 2.07 0.40 -0.21 121.20 126.33 3kod s ILE 38 Ca 0.15 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 3kod s ILE 38 Cb -0.11 -3.07 0.07 0.00 0.13 0.00 0.00 42.46 39.48 3kod s ILE 38 CO 0.05 0.48 -0.06 0.00 -1.91 0.00 0.00 174.94 173.50 3kod s PHE 40 N 1.12 2.84 -0.07 0.00 0.08 0.11 -0.48 117.98 121.59 3kod s PHE 40 Ca -0.04 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.87 3kod s PHE 40 Cb -0.20 -3.97 -0.02 0.00 -0.57 0.00 0.00 43.02 38.27 3kod s PHE 40 CO -0.06 -1.30 -0.16 -1.17 -0.10 0.00 0.00 175.22 172.43 3kod s LEU 41 N 3.65 2.64 -0.12 -0.37 2.96 0.33 0.14 118.68 127.90 3kod s LEU 41 Ca 0.26 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3kod s LEU 41 Cb -0.14 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.02 3kod s LEU 41 CO 0.17 0.30 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.51 3kod s GLY 42 N -0.44 1.09 0.30 7.98 0.00 0.41 0.23 107.32 116.89 3kod s GLY 42 Ca 0.05 -0.81 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 3kod s GLY 42 CO 0.02 0.30 0.85 -0.42 0.00 0.00 0.00 173.10 173.86 3kod s ILE 43 N 1.13 4.39 -0.12 0.90 1.01 -1.26 -2.73 121.20 124.52 3kod s ILE 43 Ca -0.03 1.53 -0.04 0.00 0.00 0.00 0.00 60.65 62.10 3kod s ILE 43 Cb -0.14 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3kod s ILE 43 CO -0.04 0.07 0.02 -2.28 0.00 0.00 0.00 174.94 172.71 3kod s HIS 44 N -1.69 3.21 0.08 3.97 5.65 -1.26 -2.15 115.29 123.09 3kod s HIS 44 Ca 0.50 0.13 0.06 0.00 0.25 0.00 0.00 55.06 56.00 3kod s HIS 44 Cb -0.16 -1.90 0.27 0.00 -1.18 0.00 0.00 32.58 29.62 3kod s HIS 44 CO 0.21 0.35 0.27 0.36 -0.65 0.00 0.00 174.74 175.28 3kod n LYS 45 N 2.66 -0.00 -0.05 2.88 0.00 -1.12 -1.85 118.16 120.68 3kod n LYS 45 Ca -0.18 0.21 0.02 0.00 -0.00 0.00 0.00 58.31 58.36 3kod n LYS 45 Cb 0.53 -0.43 0.02 0.00 -0.00 0.00 0.00 35.03 35.15 3kod n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kod n ASN 46 N -2.81 1.38 -4.70 -5.58 3.02 -1.26 -4.92 115.26 100.38 3kod n ASN 46 Ca 0.07 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.29 3kod n ASN 46 Cb 0.29 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3kod n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kod s ASP 47 N -1.03 6.87 0.69 6.41 1.01 -0.77 -5.03 116.67 124.81 3kod s ASP 47 Ca 0.05 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.51 3kod s ASP 47 Cb 0.04 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3kod s ASP 47 CO 0.00 -0.66 0.00 0.35 0.21 0.00 0.00 175.17 175.08 3kod n THR 48 N 4.25 0.00 0.17 -1.27 -2.24 -1.26 -4.93 114.28 108.99 3kod n THR 48 Ca 0.12 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.93 3kod n THR 48 Cb 0.43 -1.30 0.25 0.00 -2.10 0.00 0.00 70.33 67.62 3kod n THR 48 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3kod h TRP 49 N -1.04 0.00 -0.99 4.78 -0.00 -1.99 -3.26 115.95 113.45 3kod h TRP 49 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.89 59.01 3kod h TRP 49 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.16 29.08 3kod h TRP 49 CO 0.00 0.45 0.62 0.93 -0.00 0.00 0.00 178.44 180.45 3kod h GLU 50 N 0.00 0.95 0.39 2.65 4.39 -1.97 1.05 114.58 122.04 3kod h GLU 50 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3kod h GLU 50 Cb 1.03 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3kod h GLU 50 CO 0.06 0.63 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.91 3kod h ASP 51 N 0.98 -0.44 -0.77 1.42 3.32 -1.92 0.44 116.42 119.45 3kod h ASP 51 Ca 0.49 -0.13 0.15 0.00 0.02 0.00 0.00 57.03 57.57 3kod h ASP 51 Cb 0.49 0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.01 3kod h ASP 51 CO -0.27 -0.03 -0.20 0.00 -1.72 0.00 0.00 179.24 177.02 3kod h ALA 52 N -0.60 0.49 -0.41 3.45 0.00 -1.47 0.67 119.26 121.39 3kod h ALA 52 Ca -0.05 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3kod h ALA 52 Cb 0.54 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3kod h ALA 52 CO 0.09 -0.42 0.16 -0.07 0.00 0.00 0.00 179.25 179.01 3kod h LEU 53 N -0.00 0.57 0.54 0.00 3.38 0.12 0.32 115.31 120.23 3kod h LEU 53 Ca 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3kod h LEU 53 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kod h LEU 53 CO -0.79 0.58 -0.38 0.22 0.09 0.00 0.00 178.44 178.16 3kod h TYR 54 N 0.51 -1.03 -0.93 1.13 3.20 0.19 -2.03 116.97 118.01 3kod h TYR 54 Ca 0.14 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.15 3kod h TYR 54 Cb 0.20 0.38 -0.16 0.00 1.54 0.00 0.00 36.73 38.69 3kod h TYR 54 CO 0.00 -0.55 -0.36 0.82 -1.64 0.00 0.00 178.16 176.43 3kod h ILE 55 N -0.88 0.03 0.19 1.81 1.08 0.56 -0.72 117.51 119.59 3kod h ILE 55 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 3kod h ILE 55 Cb 0.72 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 3kod h ILE 55 CO 0.04 0.00 -0.12 0.40 -0.69 0.00 0.00 178.15 177.78 3kod h ILE 56 N -0.03 0.00 -0.71 -0.67 2.04 -0.32 -1.87 117.51 115.95 3kod h ILE 56 Ca 0.35 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.47 3kod h ILE 56 Cb 0.60 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.55 3kod h ILE 56 CO -0.94 0.00 0.25 -1.14 0.00 0.00 0.00 178.15 176.32 3kod n ARG 57 N -2.91 -0.05 0.07 2.37 0.63 -0.77 -0.86 116.66 115.14 3kod n ARG 57 Ca -0.04 1.02 -0.13 0.00 -0.92 0.00 0.00 57.85 57.78 3kod n ARG 57 Cb 0.12 -1.74 -0.08 0.00 0.45 0.00 0.00 32.46 31.20 3kod n ARG 57 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3kod h LYS 58 N 0.00 -0.15 -0.85 -0.14 1.79 -0.35 -0.89 116.57 115.99 3kod h LYS 58 Ca 0.54 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 59.11 3kod h LYS 58 Cb 1.34 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.95 3kod h LYS 58 CO -0.60 0.12 0.50 0.00 -1.08 0.00 0.00 179.45 178.39 3kod n LEU 60 N -4.71 0.73 0.00 0.00 4.77 -0.97 -4.20 117.00 112.63 3kod n LEU 60 Ca 0.14 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 3kod n LEU 60 Cb 0.27 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3kod n LEU 60 CO 0.28 -0.15 -0.41 0.59 -1.33 0.00 0.00 177.39 176.37 3kod n ASN 61 N -2.18 4.13 -4.64 -1.43 3.02 -0.36 -4.08 115.26 109.73 3kod n ASN 61 Ca 0.05 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.14 3kod n ASN 61 Cb 0.42 0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 40.33 3kod n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kod n LEU 62 N -1.31 2.59 -4.30 3.41 4.77 -0.20 -4.72 117.00 117.24 3kod n LEU 62 Ca 0.00 1.13 -0.45 0.00 -0.03 0.00 0.00 56.01 56.66 3kod n LEU 62 Cb 0.06 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.76 3kod n LEU 62 CO 0.00 -0.72 0.46 -0.13 -1.33 0.00 0.00 177.39 175.67 3kod s ARG 63 N -0.20 3.62 0.00 3.23 0.52 -1.26 -4.19 118.95 120.67 3kod s ARG 63 Ca 0.72 -2.67 0.22 0.00 -0.52 0.00 0.00 55.73 53.48 3kod s ARG 63 Cb -0.73 -4.37 0.47 0.00 0.52 0.00 0.00 34.95 30.85 3kod s ARG 63 CO 0.49 -1.27 1.42 1.28 0.02 0.00 0.00 175.30 177.24 3kod n LEU 64 N 3.59 3.55 -4.35 2.53 4.77 -1.08 -4.05 117.00 121.96 3kod n LEU 64 Ca 0.16 -1.66 -0.32 0.00 -0.03 0.00 0.00 56.01 54.16 3kod n LEU 64 Cb 0.44 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.07 3kod n LEU 64 CO 0.36 0.81 -0.53 0.26 -1.33 0.00 0.00 177.39 176.96 3kod s TRP 65 N -1.30 2.48 1.25 -1.77 0.51 -0.76 -4.87 118.94 114.48 3kod s TRP 65 Ca 0.40 -0.42 -0.20 0.00 -2.12 0.00 0.00 56.10 53.77 3kod s TRP 65 Cb 0.23 -1.57 0.30 0.00 -0.81 0.00 0.00 33.47 31.62 3kod s TRP 65 CO 0.31 -0.01 1.05 -0.80 -0.51 0.00 0.00 176.95 176.99 3kod s ASN 66 N -0.53 0.44 0.00 2.95 0.01 -1.26 -0.28 114.94 116.28 3kod s ASN 66 Ca 0.07 0.76 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 3kod s ASN 66 Cb -0.11 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.46 3kod s ASN 66 CO 0.01 -4.43 0.00 -3.20 -1.51 0.00 0.00 177.10 167.96 3kod n ASN 67 N -4.99 0.00 0.00 -1.22 2.85 0.13 -4.57 115.26 107.46 3kod n ASN 67 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 3kod n ASN 67 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 3kod n ASN 67 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3kod n ASP 68 N 0.00 0.00 0.01 1.20 4.64 -1.26 -2.43 116.55 118.71 3kod n ASP 68 Ca 0.00 0.00 -0.18 0.00 -1.38 0.00 0.00 54.79 53.23 3kod n ASP 68 Cb 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 39.94 3kod n ASP 68 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3kod h ASN 69 N 6.26 0.32 -0.74 1.67 -1.07 -2.05 -3.47 115.58 116.51 3kod h ASN 69 Ca 0.00 -0.95 -0.63 0.00 0.07 0.00 0.00 56.30 54.79 3kod h ASN 69 Cb 0.00 -0.10 0.02 0.00 -2.07 0.00 0.00 38.32 36.16 3kod h ASN 69 CO 0.00 1.24 0.37 0.29 0.07 0.00 0.00 177.43 179.40 3kod n LYS 70 N -4.29 0.00 -2.94 4.14 5.02 -1.02 -4.98 118.16 114.09 3kod n LYS 70 Ca -0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.91 3kod n LYS 70 Cb 0.70 -1.11 -0.00 0.00 -0.02 0.00 0.00 35.03 34.60 3kod n LYS 70 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kod s THR 71 N 1.55 4.83 -1.47 -0.18 -4.23 -1.26 0.17 115.64 115.04 3kod s THR 71 Ca 0.74 -0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 61.03 3kod s THR 71 Cb -1.05 -3.80 0.06 0.00 1.34 0.00 0.00 72.50 69.04 3kod s THR 71 CO 0.55 -0.67 0.88 0.79 -0.54 0.00 0.00 174.62 175.63 3kod n TRP 72 N -2.08 -2.16 -0.07 3.99 7.02 -1.23 -4.84 117.44 118.07 3kod n TRP 72 Ca -0.01 0.88 -0.09 0.00 -1.02 0.00 0.00 57.50 57.26 3kod n TRP 72 Cb 0.56 -4.06 -0.07 0.00 -2.42 0.00 0.00 31.31 25.32 3kod n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3kod n ASP 73 N -2.90 2.74 -4.42 -0.99 2.03 0.62 -4.74 116.55 108.90 3kod n ASP 73 Ca -0.06 -0.06 -0.28 0.00 0.52 0.00 0.00 54.79 54.91 3kod n ASP 73 Cb 0.57 0.03 -0.12 0.00 -0.72 0.00 0.00 41.12 40.88 3kod n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kod s LYS 74 N -2.28 1.49 0.35 -0.67 -0.14 -0.45 -4.93 119.74 113.11 3kod s LYS 74 Ca -0.16 -1.44 0.03 0.00 -1.36 0.00 0.00 55.97 53.05 3kod s LYS 74 Cb 0.04 -1.88 0.03 0.00 -1.68 0.00 0.00 37.83 34.34 3kod s LYS 74 CO 0.36 0.42 0.27 0.27 -0.76 0.00 0.00 175.35 175.91 3kod n ASN 75 N 0.53 2.10 0.29 2.83 0.23 -1.26 -1.82 115.26 118.16 3kod n ASN 75 Ca -0.15 -2.20 0.18 0.00 -0.53 0.00 0.00 54.58 51.88 3kod n ASN 75 Cb 0.55 -0.03 0.85 0.00 -2.08 0.00 0.00 39.78 39.07 3kod n ASN 75 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3kod h VAL 76 N 0.59 0.12 0.11 3.53 3.04 -1.78 -1.96 116.25 119.89 3kod h VAL 76 Ca -0.22 -0.38 -0.25 0.00 -1.01 0.00 0.00 66.70 64.83 3kod h VAL 76 Cb 0.81 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3kod h VAL 76 CO 0.35 0.03 -1.29 0.11 -1.01 0.00 0.00 177.57 175.76 3kod h LYS 77 N 0.00 0.23 0.06 4.17 1.57 -1.90 -0.87 116.57 119.82 3kod h LYS 77 Ca -0.00 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3kod h LYS 77 Cb 0.33 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kod h LYS 77 CO 0.00 1.19 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.55 3kod h ASP 78 N -0.37 -0.22 0.02 0.86 3.32 -1.88 -2.87 116.42 115.28 3kod h ASP 78 Ca -0.28 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3kod h ASP 78 Cb 1.70 0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.33 3kod h ASP 78 CO 0.05 -0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.66 3kod n LEU 79 N -2.80 0.00 -3.67 1.55 4.77 -0.75 -4.81 117.00 111.30 3kod n LEU 79 Ca -0.02 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 3kod n LEU 79 Cb 0.07 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3kod n LEU 79 CO 0.04 -0.04 0.03 -3.20 -1.33 0.00 0.00 177.39 172.89 3kod n ASN 80 N -1.05 -2.40 -2.69 -1.43 2.85 -1.06 -4.99 115.26 104.49 3kod n ASN 80 Ca 0.05 -0.74 -0.05 0.00 -0.11 0.00 0.00 54.58 53.73 3kod n ASN 80 Cb 0.03 -4.36 0.02 0.00 1.24 0.00 0.00 39.78 36.71 3kod n ASN 80 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3kod n TYR 81 N -4.37 -2.91 -4.41 1.20 4.01 -0.36 -5.04 117.16 105.28 3kod n TYR 81 Ca -0.22 -0.49 -0.24 0.00 -0.16 0.00 0.00 57.90 56.79 3kod n TYR 81 Cb 0.64 -0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.42 3kod n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3kod s GLU 82 N -2.71 1.50 -0.12 -0.72 2.02 -0.86 -4.88 118.70 112.93 3kod s GLU 82 Ca 0.15 -1.57 0.02 0.00 0.02 0.00 0.00 54.97 53.58 3kod s GLU 82 Cb -0.01 -1.67 0.01 0.00 0.10 0.00 0.00 34.13 32.57 3kod s GLU 82 CO 0.10 0.34 -0.17 -0.51 0.02 0.00 0.00 175.26 175.03 3kod s LEU 83 N -2.95 1.85 -0.27 1.80 1.02 -1.08 -0.26 118.68 118.80 3kod s LEU 83 Ca 0.22 -0.49 -0.11 0.00 0.02 0.00 0.00 54.13 53.78 3kod s LEU 83 Cb -0.06 -1.21 -0.05 0.00 0.02 0.00 0.00 46.19 44.89 3kod s LEU 83 CO 0.10 0.03 0.18 -0.22 0.02 0.00 0.00 176.35 176.46 3kod s LEU 84 N 0.96 4.02 -0.19 1.79 2.96 0.70 -2.50 118.68 126.42 3kod s LEU 84 Ca -0.06 0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3kod s LEU 84 Cb -0.15 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 3kod s LEU 84 CO -0.02 -0.02 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.35 3kod s ILE 85 N 1.56 3.86 -0.06 6.68 -1.09 -0.65 0.18 121.20 131.68 3kod s ILE 85 Ca 0.07 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 3kod s ILE 85 Cb -0.15 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.01 3kod s ILE 85 CO 0.09 0.44 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.44 3kod s VAL 86 N 0.94 1.01 -0.07 2.92 1.01 0.37 -2.21 120.40 124.37 3kod s VAL 86 Ca 0.01 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3kod s VAL 86 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3kod s VAL 86 CO 0.02 0.33 1.46 -0.55 0.00 0.00 0.00 175.10 176.36 3kod s SER 87 N 0.69 6.80 -0.48 3.32 0.15 -1.26 -0.52 113.70 122.40 3kod s SER 87 Ca -0.14 2.05 0.04 0.00 0.70 0.00 0.00 55.95 58.60 3kod s SER 87 Cb -0.15 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 61.78 3kod s SER 87 CO 0.03 -0.81 0.37 -1.58 1.20 0.00 0.00 173.24 172.45 3kod s GLN 88 N 3.34 1.29 0.00 5.44 2.00 0.62 -4.85 119.66 127.50 3kod s GLN 88 Ca 0.65 -2.38 0.15 0.00 -2.00 0.00 0.00 55.36 51.78 3kod s GLN 88 Cb -0.30 -1.95 0.82 0.00 0.80 0.00 0.00 33.01 32.39 3kod s GLN 88 CO 0.24 -1.35 1.40 1.97 -0.50 0.00 0.00 175.29 177.05 3kod n PHE 89 N 2.71 0.00 0.59 1.67 1.16 -1.26 -2.63 117.46 119.70 3kod n PHE 89 Ca 0.26 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.97 3kod n PHE 89 Cb 0.44 -0.19 0.40 0.00 -1.61 0.00 0.00 39.48 38.52 3kod n PHE 89 CO 0.00 0.00 0.00 1.79 -1.87 0.00 0.00 176.76 176.68 3kod h THR 90 N 0.00 0.00 0.00 1.97 1.35 -1.94 -2.83 112.91 111.46 3kod h THR 90 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3kod h THR 90 Cb 0.09 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3kod h THR 90 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kod n LEU 91 N -2.30 0.00 -0.41 3.87 4.77 -1.08 -1.41 117.00 120.44 3kod n LEU 91 Ca 0.05 0.09 0.07 0.00 -0.03 0.00 0.00 56.01 56.19 3kod n LEU 91 Cb 0.42 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3kod n LEU 91 CO 0.30 -0.04 0.33 0.49 -1.33 0.00 0.00 177.39 177.14 3kod n PHE 92 N -1.09 0.00 -0.79 -1.77 3.72 -1.07 -4.88 117.46 111.59 3kod n PHE 92 Ca 0.12 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.23 3kod n PHE 92 Cb 0.08 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 3kod n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kod n GLY 93 N 0.95 0.23 3.60 1.37 0.00 -0.50 -4.62 105.19 106.22 3kod n GLY 93 Ca 0.07 -0.54 -0.55 0.00 0.00 0.00 0.00 46.02 45.01 3kod n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kod n ASN 94 N 9.28 1.50 0.00 1.61 2.85 -0.89 -4.69 115.26 124.92 3kod n ASN 94 Ca 0.34 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.93 3kod n ASN 94 Cb 0.40 -1.13 0.00 0.00 1.24 0.00 0.00 39.78 40.29 3kod n ASN 94 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3kod n THR 95 N 2.77 0.18 -0.32 -0.44 -2.24 -1.26 -1.78 114.28 111.19 3kod n THR 95 Ca 0.20 -0.43 0.36 0.00 -2.27 0.00 0.00 64.05 61.91 3kod n THR 95 Cb 0.15 1.14 0.71 0.00 -2.10 0.00 0.00 70.33 70.23 3kod n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kod h LYS 96 N 0.00 0.00 -4.59 -0.78 6.56 -2.00 -3.28 116.57 112.48 3kod h LYS 96 Ca 0.00 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.95 3kod h LYS 96 Cb 0.30 0.00 -0.38 0.00 -0.57 0.00 0.00 32.23 31.58 3kod h LYS 96 CO 0.00 0.00 -0.79 -1.59 -2.06 0.00 0.00 179.45 175.01 3kod s LYS 97 N -4.77 1.91 2.13 3.15 -2.85 -1.26 -5.11 119.74 112.93 3kod s LYS 97 Ca -0.04 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 3kod s LYS 97 Cb 0.21 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 3kod s LYS 97 CO 0.72 -0.58 0.00 0.41 0.10 0.00 0.00 175.35 176.00 3kod n GLY 98 N 4.57 -0.63 0.37 0.59 0.00 -1.24 -4.61 105.19 104.23 3kod n GLY 98 Ca -0.13 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 44.93 3kod n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kod n ASN 99 N -2.12 2.07 -3.91 1.61 4.13 -1.26 -4.71 115.26 111.07 3kod n ASN 99 Ca 0.00 -3.50 -0.30 0.00 1.68 0.00 0.00 54.58 52.46 3kod n ASN 99 Cb 0.00 -0.49 -0.14 0.00 -1.54 0.00 0.00 39.78 37.61 3kod n ASN 99 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kod s LYS 100 N -3.06 1.52 -0.89 3.52 1.02 -1.26 -5.06 119.74 115.53 3kod s LYS 100 Ca 0.35 -2.05 -0.28 0.00 0.02 0.00 0.00 55.97 54.02 3kod s LYS 100 Cb 0.33 -2.96 -0.20 0.00 -0.52 0.00 0.00 37.83 34.48 3kod s LYS 100 CO -0.02 -1.04 2.58 -2.30 -0.92 0.00 0.00 175.35 173.65 3kod n PRO 101 N 3.83 0.23 -1.50 -1.68 -0.02 -1.26 -4.89 135.00 129.71 3kod n PRO 101 Ca 0.04 -0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.06 3kod n PRO 101 Cb 0.37 -1.92 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3kod n PRO 101 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3kod n ASP 102 N 11.39 -0.15 0.00 2.55 2.03 -0.73 -4.78 116.55 126.85 3kod n ASP 102 Ca 0.60 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.93 3kod n ASP 102 Cb 0.16 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 3kod n ASP 102 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kod n PHE 103 N -0.42 0.00 0.26 -0.67 3.72 -1.26 -2.09 117.46 117.00 3kod n PHE 103 Ca 0.12 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.70 3kod n PHE 103 Cb 0.35 0.00 0.89 0.00 -0.94 0.00 0.00 39.48 39.79 3kod n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kod h HIS 104 N 0.00 0.00 0.00 1.38 3.86 -1.90 0.41 115.15 118.89 3kod h HIS 104 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kod h HIS 104 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3kod h HIS 104 CO 0.00 0.00 0.00 -0.07 0.86 0.00 0.00 177.93 178.72 3kod h LEU 105 N 0.00 0.00 -9.82 2.43 3.38 -1.89 -3.46 115.31 105.95 3kod h LEU 105 Ca 0.05 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.54 3kod h LEU 105 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3kod h LEU 105 CO -0.00 0.00 0.37 0.00 0.09 0.00 0.00 178.44 178.90 3kod s ALA 106 N -3.23 3.29 -0.06 1.53 0.00 0.14 -2.77 121.76 120.66 3kod s ALA 106 Ca 0.07 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 3kod s ALA 106 Cb 0.08 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 3kod s ALA 106 CO 0.62 0.10 1.71 0.21 0.00 0.00 0.00 175.76 178.40 3kod s LYS 107 N -1.63 4.12 -0.09 0.00 2.20 -0.91 -4.41 119.74 119.02 3kod s LYS 107 Ca 0.46 2.21 -0.09 0.00 -0.36 0.00 0.00 55.97 58.19 3kod s LYS 107 Cb -0.24 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 3kod s LYS 107 CO 0.30 -0.92 0.31 -1.91 -0.36 0.00 0.00 175.35 172.77 3kod n GLU 108 N 7.27 0.00 0.00 4.03 0.00 -1.26 -4.64 120.64 126.04 3kod n GLU 108 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.34 3kod n GLU 108 Cb 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 31.44 31.56 3kod n GLU 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3kod n PRO 109 N 0.76 0.00 -0.08 5.31 -0.02 -1.26 -2.11 135.00 137.60 3kod n PRO 109 Ca 0.06 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.57 3kod n PRO 109 Cb -0.01 -1.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 3kod n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kod h ASN 110 N 0.00 0.09 0.33 2.55 2.35 -2.01 -3.33 115.58 115.55 3kod h ASN 110 Ca 0.00 -0.60 -0.29 0.00 -0.55 0.00 0.00 56.30 54.86 3kod h ASN 110 Cb 0.03 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 38.39 3kod h ASN 110 CO 0.00 1.57 -1.26 -0.33 -1.65 0.00 0.00 177.43 175.77 3kod h GLU 111 N -0.78 0.48 -0.82 0.81 5.08 -1.92 -3.31 114.58 114.13 3kod h GLU 111 Ca -0.37 -0.70 0.23 0.00 -1.00 0.00 0.00 59.36 57.52 3kod h GLU 111 Cb 1.46 0.24 -0.15 0.00 0.50 0.00 0.00 28.75 30.80 3kod h GLU 111 CO -0.15 1.31 0.02 0.00 -1.00 0.00 0.00 179.01 179.20 3kod n ALA 112 N -2.63 0.42 -0.08 3.43 0.00 -0.90 0.67 120.51 121.43 3kod n ALA 112 Ca -0.12 0.87 0.00 0.00 0.00 0.00 0.00 53.44 54.19 3kod n ALA 112 Cb 1.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3kod n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kod n LEU 113 N -5.16 0.00 0.26 0.00 7.94 -1.24 -1.01 117.00 117.78 3kod n LEU 113 Ca 0.19 0.96 0.17 0.00 -1.11 0.00 0.00 56.01 56.22 3kod n LEU 113 Cb 0.63 -0.46 0.79 0.00 0.53 0.00 0.00 43.42 44.91 3kod n LEU 113 CO -0.06 -0.46 1.14 -0.29 -1.11 0.00 0.00 177.39 176.61 3kod h ILE 114 N 0.00 0.13 0.28 1.96 6.09 0.10 0.65 117.51 126.72 3kod h ILE 114 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 3kod h ILE 114 Cb 0.00 0.66 0.00 0.00 0.47 0.00 0.00 36.82 37.95 3kod h ILE 114 CO 0.00 0.00 -0.13 0.15 -3.07 0.00 0.00 178.15 175.10 3kod h PHE 115 N 0.00 -0.35 -0.55 2.19 3.57 -0.64 -2.88 116.94 118.29 3kod h PHE 115 Ca 0.06 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3kod h PHE 115 Cb 0.81 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 3kod h PHE 115 CO 0.00 0.00 0.36 -0.92 -2.23 0.00 0.00 178.31 175.52 3kod h TYR 116 N -0.93 0.54 -0.34 0.41 3.20 0.18 0.20 116.97 120.23 3kod h TYR 116 Ca -0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3kod h TYR 116 Cb 0.50 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3kod h TYR 116 CO 0.05 0.30 0.15 -0.91 -1.64 0.00 0.00 178.16 176.11 3kod h ASN 117 N 0.54 0.43 1.29 -2.11 2.35 -0.45 0.36 115.58 117.99 3kod h ASN 117 Ca 0.23 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 3kod h ASN 117 Cb 0.23 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3kod h ASN 117 CO -0.06 0.38 -0.58 0.11 -1.65 0.00 0.00 177.43 175.62 3kod h LYS 118 N 0.48 0.00 0.17 0.81 6.56 -0.47 -3.15 116.57 120.97 3kod h LYS 118 Ca 0.12 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.43 3kod h LYS 118 Cb 0.07 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 31.76 3kod h LYS 118 CO -0.02 0.58 -1.19 0.82 -2.06 0.00 0.00 179.45 177.58 3kod h ILE 119 N 0.00 1.34 -0.94 1.86 2.04 0.06 -2.08 117.51 119.79 3kod h ILE 119 Ca -0.01 -2.54 0.18 0.00 1.00 0.00 0.00 64.86 63.49 3kod h ILE 119 Cb 1.38 2.94 -0.08 0.00 -0.74 0.00 0.00 36.82 40.32 3kod h ILE 119 CO 0.08 0.75 0.60 0.40 0.00 0.00 0.00 178.15 179.98 3kod h ILE 120 N 0.05 0.74 -0.62 -0.67 1.08 -0.46 -2.81 117.51 114.82 3kod h ILE 120 Ca -0.20 -0.22 -0.09 0.00 -0.39 0.00 0.00 64.86 63.97 3kod h ILE 120 Cb 1.91 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 3kod h ILE 120 CO 0.23 0.11 0.04 0.44 -0.69 0.00 0.00 178.15 178.28 3kod h ASP 121 N 0.63 1.04 -0.21 1.72 5.19 -1.35 -2.87 116.42 120.57 3kod h ASP 121 Ca 0.50 -0.29 -0.06 0.00 -0.62 0.00 0.00 57.03 56.57 3kod h ASP 121 Cb 0.94 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 3kod h ASP 121 CO -0.25 1.07 -0.09 -0.08 -3.12 0.00 0.00 179.24 176.76 3kod h GLU 122 N 0.97 0.43 -0.63 3.56 4.57 -1.16 -0.76 114.58 121.56 3kod h GLU 122 Ca 0.18 -0.18 0.12 0.00 -1.18 0.00 0.00 59.36 58.29 3kod h GLU 122 Cb 0.51 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.97 3kod h GLU 122 CO 0.02 0.71 -0.30 0.74 -1.18 0.00 0.00 179.01 179.01 3kod h PHE 123 N 0.13 -0.79 0.13 0.92 0.04 -1.52 0.45 116.94 116.30 3kod h PHE 123 Ca 0.05 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3kod h PHE 123 Cb 0.58 0.44 0.00 0.00 2.20 0.00 0.00 35.95 39.17 3kod h PHE 123 CO 0.06 -0.36 -0.06 0.87 -0.60 0.00 0.00 178.31 178.22 3kod h LYS 124 N -0.12 -0.17 0.00 1.51 1.57 -1.28 0.34 116.57 118.42 3kod h LYS 124 Ca 0.26 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3kod h LYS 124 Cb 0.54 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3kod h LYS 124 CO -0.70 -0.08 0.00 0.87 -0.57 0.00 0.00 179.45 178.97 3kod h LYS 125 N -0.21 0.00 0.00 3.15 1.57 -0.56 -2.82 116.57 117.69 3kod h LYS 125 Ca -0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3kod h LYS 125 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3kod h LYS 125 CO 0.03 0.00 -1.37 1.04 -0.57 0.00 0.00 179.45 178.58 3kod n GLN 126 N -2.34 0.54 0.00 3.15 6.02 0.15 -4.91 117.38 119.99 3kod n GLN 126 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 3kod n GLN 126 Cb 0.15 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.84 3kod n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3kod n TYR 127 N -4.43 0.00 -3.54 1.08 9.36 0.11 -5.08 117.16 114.66 3kod n TYR 127 Ca -0.28 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.81 3kod n TYR 127 Cb 0.60 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.26 3kod n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kod s ASN 128 N -1.00 -0.45 0.58 2.98 3.84 -1.07 -4.95 114.94 114.87 3kod s ASN 128 Ca 0.00 0.07 0.31 0.00 0.21 0.00 0.00 52.86 53.46 3kod s ASN 128 Cb 0.00 0.52 1.79 0.00 -0.55 0.00 0.00 41.25 43.01 3kod s ASN 128 CO 0.00 -0.80 2.21 -2.24 -2.79 0.00 0.00 177.10 173.48 3kod h ASP 129 N 2.51 0.00 0.33 -4.21 -0.00 -1.89 -3.23 116.42 109.93 3kod h ASP 129 Ca -0.32 0.00 -0.33 0.00 -0.00 0.00 0.00 57.03 56.38 3kod h ASP 129 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.55 3kod h ASP 129 CO 0.41 0.04 -1.77 -0.78 -0.00 0.00 0.00 179.24 177.14 3kod h ASP 130 N 0.00 0.30 -0.43 4.15 3.58 -1.96 -3.37 116.42 118.69 3kod h ASP 130 Ca -0.00 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 56.88 3kod h ASP 130 Cb 0.11 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3kod h ASP 130 CO 0.00 1.50 0.00 0.29 -2.88 0.00 0.00 179.24 178.16 3kod n LYS 131 N -3.36 1.99 -3.99 0.28 4.76 -1.22 -4.75 118.16 111.88 3kod n LYS 131 Ca -0.23 -1.53 -0.32 0.00 -2.87 0.00 0.00 58.31 53.36 3kod n LYS 131 Cb 1.05 -1.33 -0.14 0.00 -1.84 0.00 0.00 35.03 32.76 3kod n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kod s ILE 132 N -1.44 2.43 0.17 -0.18 -1.09 -1.26 -2.64 121.20 117.20 3kod s ILE 132 Ca 0.28 -2.15 0.03 0.00 -2.23 0.00 0.00 60.65 56.59 3kod s ILE 132 Cb 0.15 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 3kod s ILE 132 CO 0.19 -0.50 0.26 -0.54 -1.23 0.00 0.00 174.94 173.13 3kod s LYS 133 N 0.98 3.32 0.10 2.79 3.01 -1.04 -5.03 119.74 123.87 3kod s LYS 133 Ca 0.07 -0.68 0.01 0.00 -1.01 0.00 0.00 55.97 54.36 3kod s LYS 133 Cb -0.20 -2.88 -0.04 0.00 -1.01 0.00 0.00 37.83 33.70 3kod s LYS 133 CO -0.07 0.50 -0.05 0.96 0.51 0.00 0.00 175.35 177.20 3kod s ILE 134 N -1.78 0.63 0.26 2.17 -4.36 -1.26 -1.64 121.20 115.22 3kod s ILE 134 Ca 0.34 -1.93 -0.02 0.00 -0.26 0.00 0.00 60.65 58.78 3kod s ILE 134 Cb -0.10 -1.71 0.06 0.00 1.25 0.00 0.00 42.46 41.95 3kod s ILE 134 CO 0.27 -0.85 0.35 0.61 0.24 0.00 0.00 174.94 175.57 3kod n GLY 135 N -0.04 -0.11 3.66 6.27 0.00 -0.94 -4.46 105.19 109.56 3kod n GLY 135 Ca -0.12 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 3kod n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kod s LYS 136 N -3.51 4.09 0.36 1.61 2.20 -1.26 -5.02 119.74 118.21 3kod s LYS 136 Ca 0.22 -0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.43 3kod s LYS 136 Cb -0.01 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 3kod s LYS 136 CO 0.15 0.01 1.17 0.12 -0.36 0.00 0.00 175.35 176.43 3kod s PHE 137 N 1.21 3.20 0.00 4.03 5.36 -1.26 -3.03 117.98 127.48 3kod s PHE 137 Ca 0.11 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 3kod s PHE 137 Cb -0.14 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 3kod s PHE 137 CO 0.06 -1.17 0.00 0.41 -1.46 0.00 0.00 175.22 173.06 3kod n GLY 138 N 0.76 1.45 3.86 13.12 0.00 -1.26 -4.95 105.19 118.17 3kod n GLY 138 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3kod n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kod s ASN 139 N -2.66 6.74 -0.19 1.61 0.02 -1.17 -5.04 114.94 114.25 3kod s ASN 139 Ca 0.00 1.18 -0.29 0.00 -1.02 0.00 0.00 52.86 52.72 3kod s ASN 139 Cb 0.00 -2.33 -0.01 0.00 0.02 0.00 0.00 41.25 38.93 3kod s ASN 139 CO 0.00 -0.15 1.23 -0.47 0.02 0.00 0.00 177.10 177.72 3kod s TYR 140 N -1.91 2.91 0.40 2.20 5.04 -1.26 -4.92 117.35 119.81 3kod s TYR 140 Ca 0.52 1.07 0.08 0.00 -2.44 0.00 0.00 57.07 56.29 3kod s TYR 140 Cb -0.11 -3.51 -0.02 0.00 0.35 0.00 0.00 41.96 38.66 3kod s TYR 140 CO 0.19 -1.48 0.35 -1.64 -1.34 0.00 0.00 175.55 171.62 3kod s MET 141 N 3.53 2.56 -0.18 4.97 -1.94 -1.26 -4.38 119.30 122.60 3kod s MET 141 Ca 0.53 -1.49 -0.02 0.00 -1.71 0.00 0.00 55.69 52.99 3kod s MET 141 Cb -0.20 -2.39 0.06 0.00 2.01 0.00 0.00 34.83 34.31 3kod s MET 141 CO 0.14 -0.12 0.02 1.21 -0.01 0.00 0.00 175.02 176.26 3kod s ASN 142 N -4.09 2.85 -0.31 3.03 2.47 -0.44 -4.95 114.94 113.50 3kod s ASN 142 Ca 0.46 -0.77 0.03 0.00 0.42 0.00 0.00 52.86 53.00 3kod s ASN 142 Cb -0.04 -0.65 0.08 0.00 -1.45 0.00 0.00 41.25 39.20 3kod s ASN 142 CO 0.27 -0.28 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.73 3kod s ILE 143 N 1.82 2.34 -0.25 -5.21 1.01 -1.26 0.10 121.20 119.75 3kod s ILE 143 Ca -0.01 -1.98 -0.29 0.00 0.00 0.00 0.00 60.65 58.37 3kod s ILE 143 Cb -0.17 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 3kod s ILE 143 CO -0.08 -0.34 1.42 -1.81 0.00 0.00 0.00 174.94 174.14 3kod s ASP 144 N 1.06 6.59 -0.20 3.58 1.01 0.93 -4.88 116.67 124.76 3kod s ASP 144 Ca 0.02 1.44 0.00 0.00 0.71 0.00 0.00 52.55 54.72 3kod s ASP 144 Cb -0.20 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.22 3kod s ASP 144 CO -0.06 -1.11 -0.16 -0.69 0.21 0.00 0.00 175.17 173.36 3kod s VAL 145 N 4.57 2.28 -0.64 -1.27 1.01 -1.26 0.24 120.40 125.33 3kod s VAL 145 Ca 0.62 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 3kod s VAL 145 Cb -0.21 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.21 3kod s VAL 145 CO 0.25 0.46 1.00 -0.89 0.00 0.00 0.00 175.10 175.92 3kod s THR 146 N 1.30 4.26 0.08 3.92 2.01 -0.94 -5.01 115.64 121.26 3kod s THR 146 Ca 0.04 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 3kod s THR 146 Cb -0.14 -4.67 -0.07 0.00 0.01 0.00 0.00 72.50 67.63 3kod s THR 146 CO -0.11 -1.41 1.40 0.20 -0.69 0.00 0.00 174.62 174.02 3kod s ASN 147 N 3.43 6.83 -1.14 3.53 0.01 -1.26 -2.30 114.94 124.03 3kod s ASN 147 Ca 0.27 2.26 -0.07 0.00 -0.71 0.00 0.00 52.86 54.61 3kod s ASN 147 Cb -0.14 -2.58 0.26 0.00 0.41 0.00 0.00 41.25 39.20 3kod s ASN 147 CO 0.14 -0.68 1.51 -0.67 -1.51 0.00 0.00 177.10 175.88 3kod n ASP 148 N 4.48 5.90 0.00 -1.22 -0.08 0.79 -4.71 116.55 121.71 3kod n ASP 148 Ca 0.12 -3.25 0.00 0.00 -1.51 0.00 0.00 54.79 50.15 3kod n ASP 148 Cb 0.43 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.53 3kod n ASP 148 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3kod n GLY 149 N 2.07 -1.26 3.82 0.27 0.00 -1.26 -4.11 105.19 104.72 3kod n GLY 149 Ca 0.29 0.49 -0.32 0.00 0.00 0.00 0.00 46.02 46.48 3kod n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kod s PRO 150 N 0.00 3.47 -0.07 1.61 0.04 -1.26 -5.17 135.00 133.62 3kod s PRO 150 Ca 0.00 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.15 3kod s PRO 150 Cb 0.00 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.49 3kod s PRO 150 CO 0.00 -0.67 -0.12 0.08 0.04 0.00 0.00 177.00 176.32 3kod s VAL 151 N -2.59 1.17 -0.04 -0.36 1.01 -1.26 -5.01 120.40 113.33 3kod s VAL 151 Ca 0.61 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3kod s VAL 151 Cb -0.14 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3kod s VAL 151 CO 0.38 0.37 -0.05 -0.89 0.00 0.00 0.00 175.10 174.90 3kod s THR 152 N 0.78 0.55 -0.04 3.92 2.01 -1.25 -1.31 115.64 120.30 3kod s THR 152 Ca -0.12 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.71 3kod s THR 152 Cb -0.15 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 71.83 3kod s THR 152 CO 0.02 0.21 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.53 3kod s ILE 153 N 0.68 0.24 -0.08 1.82 -1.09 -0.79 -4.97 121.20 117.01 3kod s ILE 153 Ca -0.09 0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 3kod s ILE 153 Cb -0.12 -0.35 -0.03 0.00 -1.58 0.00 0.00 42.46 40.37 3kod s ILE 153 CO 0.00 0.18 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.41 3kod s TYR 154 N 1.26 3.13 -0.03 3.97 5.04 -1.26 -1.45 117.35 128.00 3kod s TYR 154 Ca -0.06 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.75 3kod s TYR 154 Cb -0.13 -1.78 0.01 0.00 0.35 0.00 0.00 41.96 40.41 3kod s TYR 154 CO -0.02 0.45 -0.06 0.42 -1.34 0.00 0.00 175.55 175.00 3kod s ILE 155 N -0.86 0.58 -0.13 3.14 1.01 -1.14 -5.03 121.20 118.76 3kod s ILE 155 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 3kod s ILE 155 Cb -0.11 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 3kod s ILE 155 CO 0.02 0.21 -0.10 -0.62 0.00 0.00 0.00 174.94 174.46 3kod s ASP 156 N 0.56 4.32 0.07 3.58 -1.08 -1.26 -2.56 116.67 120.30 3kod s ASP 156 Ca -0.08 -0.23 0.22 0.00 -0.52 0.00 0.00 52.55 51.95 3kod s ASP 156 Cb -0.11 -1.58 0.91 0.00 -1.46 0.00 0.00 42.92 40.69 3kod s ASP 156 CO 0.00 0.20 1.71 0.35 0.52 0.00 0.00 175.17 177.94 3kod n THR 157 N 3.33 0.57 0.03 1.71 -2.24 0.15 -3.63 114.28 114.19 3kod n THR 157 Ca -0.18 0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 3kod n THR 157 Cb 0.53 -0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 67.83 3kod n THR 157 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3kod h HIS 158 N 0.00 0.14 0.36 4.78 3.86 -1.95 -3.33 115.15 119.00 3kod h HIS 158 Ca 0.00 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 3kod h HIS 158 Cb 0.42 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3kod h HIS 158 CO 0.00 1.13 -0.19 -0.44 0.86 0.00 0.00 177.93 179.29 3kod h ASP 159 N 0.02 -0.46 0.00 2.45 3.32 -1.95 -3.54 116.42 116.26 3kod h ASP 159 Ca -0.20 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3kod h ASP 159 Cb 1.94 0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.62 3kod h ASP 159 CO 0.12 -0.32 0.00 -0.38 -1.72 0.00 0.00 179.24 176.94