#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 1.00 -0.08 2.12 0.52 -1.20 0.12 118.95 121.44 3kod s ARG 2 Ca 0.00 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.57 3kod s ARG 2 Cb 0.00 -0.98 0.04 0.00 0.52 0.00 0.00 34.95 34.53 3kod s ARG 2 CO 0.00 0.26 0.15 0.54 0.02 0.00 0.00 175.30 176.27 3kod s VAL 3 N -0.57 -0.18 -0.27 3.52 0.11 -0.61 -1.70 120.40 120.70 3kod s VAL 3 Ca 0.03 0.29 -0.13 0.00 -2.93 0.00 0.00 61.98 59.25 3kod s VAL 3 Cb -0.06 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3kod s VAL 3 CO 0.00 0.12 0.28 -0.69 -3.33 0.00 0.00 175.10 171.48 3kod s VAL 4 N 1.86 5.25 -0.28 2.04 1.01 -0.13 -2.65 120.40 127.51 3kod s VAL 4 Ca -0.02 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 3kod s VAL 4 Cb -0.12 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3kod s VAL 4 CO -0.06 0.22 0.10 -0.63 0.00 0.00 0.00 175.10 174.73 3kod s ILE 5 N 1.81 4.33 0.10 2.22 1.01 0.39 -1.29 121.20 129.77 3kod s ILE 5 Ca 0.11 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.46 3kod s ILE 5 Cb -0.16 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3kod s ILE 5 CO 0.10 0.19 -0.10 -1.10 0.00 0.00 0.00 174.94 174.03 3kod s GLN 6 N 1.59 2.14 -0.09 2.79 -0.21 -0.84 0.43 119.66 125.47 3kod s GLN 6 Ca 0.05 -1.01 -0.03 0.00 0.02 0.00 0.00 55.36 54.39 3kod s GLN 6 Cb -0.16 -2.31 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 3kod s GLN 6 CO 0.04 0.51 0.03 0.50 -2.12 0.00 0.00 175.29 174.25 3kod s ARG 7 N -2.15 3.07 0.05 2.91 3.52 -0.86 -1.73 118.95 123.76 3kod s ARG 7 Ca 0.21 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.48 3kod s ARG 7 Cb -0.11 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 3kod s ARG 7 CO 0.13 0.72 -0.10 0.14 -0.81 0.00 0.00 175.30 175.38 3kod s VAL 8 N -0.92 0.72 -0.10 7.11 -7.23 -0.77 0.08 120.40 119.29 3kod s VAL 8 Ca 0.14 -1.20 0.14 0.00 -1.81 0.00 0.00 61.98 59.25 3kod s VAL 8 Cb -0.11 -0.81 -0.07 0.00 0.56 0.00 0.00 36.38 35.95 3kod s VAL 8 CO 0.03 -0.37 1.13 0.07 -0.31 0.00 0.00 175.10 175.65 3kod h LYS 9 N 4.34 0.00 0.00 4.82 -0.00 -1.51 -2.72 116.57 121.50 3kod h LYS 9 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.28 3kod h LYS 9 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3kod h LYS 9 CO 0.42 0.48 0.00 0.41 -0.00 0.00 0.00 179.45 180.76 3kod n GLY 10 N 1.33 -0.34 3.26 0.07 0.00 -1.22 -1.71 105.19 106.57 3kod n GLY 10 Ca -0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 0.02 -0.42 4.61 0.00 -0.89 0.15 121.76 123.22 3kod s ALA 11 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.16 3kod s ALA 11 Cb 0.00 0.69 0.20 0.00 0.00 0.00 0.00 23.12 24.01 3kod s ALA 11 CO 0.00 -0.56 0.47 -0.89 0.00 0.00 0.00 175.76 174.78 3kod n ILE 12 N -0.13 -0.86 -1.90 0.00 5.41 -0.66 -2.68 119.36 118.53 3kod n ILE 12 Ca -0.11 -3.20 -0.41 0.00 1.00 0.00 0.00 62.75 60.03 3kod n ILE 12 Cb 0.63 -1.25 -0.02 0.00 -0.71 0.00 0.00 39.64 38.29 3kod n ILE 12 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3kod s LEU 13 N -0.26 4.37 0.03 1.39 0.20 -1.00 -3.41 118.68 119.99 3kod s LEU 13 Ca 0.33 2.81 0.04 0.00 0.69 0.00 0.00 54.13 58.00 3kod s LEU 13 Cb 0.09 -3.63 -0.02 0.00 -0.43 0.00 0.00 46.19 42.20 3kod s LEU 13 CO -0.16 -0.80 -0.12 -0.44 -0.29 0.00 0.00 176.35 174.54 3kod s SER 14 N 0.38 1.44 0.00 3.68 0.01 0.36 -0.56 113.70 119.01 3kod s SER 14 Ca 0.61 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.44 3kod s SER 14 Cb -0.45 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.70 3kod s SER 14 CO 0.46 0.01 0.20 1.33 0.41 0.00 0.00 173.24 175.65 3kod n VAL 15 N 1.97 0.00 -1.01 3.43 0.24 -1.26 0.12 118.33 121.82 3kod n VAL 15 Ca -0.18 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3kod n VAL 15 Cb 0.55 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 3kod n VAL 15 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kod n GLU 28 N -0.49 -0.04 -2.19 7.34 0.28 -1.26 -4.94 120.64 119.35 3kod n GLU 28 Ca 0.00 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.60 3kod n GLU 28 Cb 0.01 -0.53 -0.03 0.00 1.43 0.00 0.00 31.44 32.33 3kod n GLU 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3kod s ILE 29 N -3.07 3.61 -0.07 3.84 1.01 -1.26 -4.91 121.20 120.35 3kod s ILE 29 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 60.65 61.69 3kod s ILE 29 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 3kod s ILE 29 CO 0.00 0.00 -0.03 2.30 0.00 0.00 0.00 174.94 177.22 3kod n ILE 30 N 4.62 0.43 -4.26 2.92 -6.64 0.27 -4.95 119.36 111.75 3kod n ILE 30 Ca 0.13 -0.21 -0.25 0.00 -1.77 0.00 0.00 62.75 60.65 3kod n ILE 30 Cb 0.43 -0.80 -0.08 0.00 -1.44 0.00 0.00 39.64 37.75 3kod n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3kod s SER 31 N -4.29 4.55 -0.28 7.28 0.01 -0.97 -5.03 113.70 114.99 3kod s SER 31 Ca -0.07 -0.54 -0.22 0.00 1.31 0.00 0.00 55.95 56.43 3kod s SER 31 Cb 0.02 -0.87 0.08 0.00 0.21 0.00 0.00 66.02 65.46 3kod s SER 31 CO 0.21 0.06 0.77 -0.70 0.41 0.00 0.00 173.24 173.99 3kod s GLU 32 N -3.21 0.73 0.00 12.44 2.12 -1.26 -2.38 118.70 127.14 3kod s GLU 32 Ca 0.28 0.99 -0.07 0.00 0.36 0.00 0.00 54.97 56.54 3kod s GLU 32 Cb -0.08 0.29 -0.00 0.00 0.26 0.00 0.00 34.13 34.60 3kod s GLU 32 CO 0.18 -0.11 0.12 0.96 -0.54 0.00 0.00 175.26 175.88 3kod s ILE 33 N 0.77 0.08 0.00 -3.70 -4.36 -1.09 -4.92 121.20 107.98 3kod s ILE 33 Ca -0.03 -0.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 3kod s ILE 33 Cb -0.05 -0.41 0.00 0.00 1.25 0.00 0.00 42.46 43.25 3kod s ILE 33 CO -0.07 -0.39 0.00 2.29 0.24 0.00 0.00 174.94 177.02 3kod n LYS 34 N 1.48 2.46 -1.63 0.37 -0.00 -1.26 -2.10 118.16 117.48 3kod n LYS 34 Ca -0.23 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.63 3kod n LYS 34 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.57 3kod n LYS 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kod n ASN 35 N 0.00 2.01 0.00 -5.58 3.02 -0.70 -3.44 115.26 110.57 3kod n ASN 35 Ca 0.00 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 3kod n ASN 35 Cb 0.00 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 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 1.48 -0.23 2.89 7.41 0.00 -1.03 -2.52 105.19 113.20 3kod n GLY 36 Ca 0.10 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 1.98 -0.16 0.99 1.43 -0.62 -1.85 118.68 120.44 3kod s LEU 37 Ca 0.00 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 3kod s LEU 37 Cb 0.00 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.10 3kod s LEU 37 CO 0.00 0.02 0.04 -0.51 0.23 0.00 0.00 176.35 176.12 3kod s ILE 38 N -0.00 4.57 -0.23 -0.59 2.07 -0.71 -0.59 121.20 125.72 3kod s ILE 38 Ca 0.00 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.13 3kod s ILE 38 Cb -0.01 -3.03 0.06 0.00 0.13 0.00 0.00 42.46 39.61 3kod s ILE 38 CO -0.00 0.49 -0.06 0.00 -1.91 0.00 0.00 174.94 173.46 3kod s PHE 40 N 1.38 3.75 -0.21 0.00 0.08 -0.41 0.13 117.98 122.70 3kod s PHE 40 Ca -0.05 1.20 -0.06 0.00 0.12 0.00 0.00 56.93 58.13 3kod s PHE 40 Cb -0.18 -2.51 0.10 0.00 -0.57 0.00 0.00 43.02 39.86 3kod s PHE 40 CO -0.06 0.51 0.43 -1.17 -0.10 0.00 0.00 175.22 174.83 3kod s LEU 41 N -0.76 -0.69 0.00 -0.37 1.98 0.35 -0.95 118.68 118.24 3kod s LEU 41 Ca 0.29 0.93 0.01 0.00 -2.89 0.00 0.00 54.13 52.47 3kod s LEU 41 Cb -0.19 1.40 -0.04 0.00 0.66 0.00 0.00 46.19 48.03 3kod s LEU 41 CO 0.17 -0.24 0.03 -0.83 -1.89 0.00 0.00 176.35 173.59 3kod s GLY 42 N 2.63 1.93 -0.27 7.98 0.00 -0.69 -0.04 107.32 118.86 3kod s GLY 42 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 44.72 43.71 3kod s GLY 42 CO -0.14 -0.81 0.09 -0.42 0.00 0.00 0.00 173.10 171.82 3kod s ILE 43 N -1.14 4.34 0.45 0.90 1.01 -1.26 -3.23 121.20 122.27 3kod s ILE 43 Ca 0.21 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 3kod s ILE 43 Cb -0.12 -3.10 -0.10 0.00 0.01 0.00 0.00 42.46 39.16 3kod s ILE 43 CO 0.12 0.24 0.98 -2.28 0.00 0.00 0.00 174.94 174.00 3kod s HIS 44 N 1.60 3.22 0.27 3.97 5.65 -1.26 0.18 115.29 128.92 3kod s HIS 44 Ca 0.05 1.59 0.00 0.00 0.25 0.00 0.00 55.06 56.96 3kod s HIS 44 Cb -0.16 -2.91 0.60 0.00 -1.18 0.00 0.00 32.58 28.93 3kod s HIS 44 CO 0.04 -0.34 1.72 1.57 -0.65 0.00 0.00 174.74 177.08 3kod h LYS 45 N 1.76 0.44 -0.55 2.88 -0.00 -1.81 -2.19 116.57 117.10 3kod h LYS 45 Ca -0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.13 3kod h LYS 45 Cb 1.19 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.32 3kod h LYS 45 CO 0.60 0.29 0.00 0.09 -0.00 0.00 0.00 179.45 180.44 3kod n ASN 46 N -5.00 2.92 -4.68 7.07 3.02 -1.26 -4.88 115.26 112.45 3kod n ASN 46 Ca 0.19 -2.17 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 3kod n ASN 46 Cb 0.53 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.85 6.87 0.06 6.41 1.01 -0.82 -5.01 116.67 124.34 3kod s ASP 47 Ca 0.32 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.62 3kod s ASP 47 Cb 0.19 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.56 3kod s ASP 47 CO 0.18 -0.72 0.00 0.35 0.21 0.00 0.00 175.17 175.19 3kod n THR 48 N 4.79 0.00 0.50 -1.27 -2.24 -1.26 -4.95 114.28 109.86 3kod n THR 48 Ca 0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 3kod n THR 48 Cb 0.44 -1.63 0.43 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.06 0.00 0.75 4.78 2.91 -2.01 -3.33 115.95 118.99 3kod h TRP 49 Ca 0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 3kod h TRP 49 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 28.66 3kod h TRP 49 CO 0.00 0.00 -0.36 0.93 -1.03 0.00 0.00 178.44 177.98 3kod h GLU 50 N 0.00 -0.96 -0.88 2.65 4.39 -1.98 -2.89 114.58 114.90 3kod h GLU 50 Ca 0.00 0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.85 3kod h GLU 50 Cb 0.62 0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 29.42 3kod h GLU 50 CO 0.00 -0.64 0.53 -0.44 -1.16 0.00 0.00 179.01 177.30 3kod h ASP 51 N -1.21 0.79 -0.71 1.42 3.32 -1.93 -1.94 116.42 116.16 3kod h ASP 51 Ca -0.10 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.08 3kod h ASP 51 Cb 0.77 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 3kod h ASP 51 CO 0.17 0.47 0.36 0.00 -1.72 0.00 0.00 179.24 178.51 3kod h ALA 52 N 1.45 0.98 0.64 3.45 0.00 -1.66 -2.59 119.26 121.54 3kod h ALA 52 Ca 0.41 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 3kod h ALA 52 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kod h ALA 52 CO -0.22 -0.04 -0.40 -0.07 0.00 0.00 0.00 179.25 178.51 3kod h LEU 53 N 0.61 -1.02 -0.94 0.00 -0.00 -1.13 0.85 115.31 113.68 3kod h LEU 53 Ca 0.35 0.06 0.20 0.00 -0.00 0.00 0.00 57.88 58.49 3kod h LEU 53 Cb 0.36 0.30 -0.11 0.00 -0.00 0.00 0.00 40.66 41.21 3kod h LEU 53 CO -0.27 -0.62 0.51 0.22 -0.00 0.00 0.00 178.44 178.28 3kod h TYR 54 N -0.99 0.88 0.00 1.13 3.20 -1.40 1.41 116.97 121.20 3kod h TYR 54 Ca -0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3kod h TYR 54 Cb 0.80 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3kod h TYR 54 CO -0.11 0.11 0.00 -0.89 -1.64 0.00 0.00 178.16 175.64 3kod n ILE 55 N -4.89 0.00 -0.32 1.81 2.08 -0.98 -1.17 119.36 115.90 3kod n ILE 55 Ca 0.22 1.06 0.19 0.00 0.56 0.00 0.00 62.75 64.78 3kod n ILE 55 Cb 0.60 -2.01 0.35 0.00 -0.75 0.00 0.00 39.64 37.84 3kod n ILE 55 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kod n ILE 56 N -0.92 -0.39 0.00 1.39 5.41 0.29 -1.19 119.36 123.94 3kod n ILE 56 Ca 0.00 2.02 0.00 0.00 1.00 0.00 0.00 62.75 65.77 3kod n ILE 56 Cb 0.00 -3.04 0.00 0.00 -0.71 0.00 0.00 39.64 35.89 3kod n ILE 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3kod n ARG 57 N -5.31 0.00 0.02 0.38 0.63 0.47 -3.00 116.66 109.84 3kod n ARG 57 Ca 0.26 0.25 0.18 0.00 -0.92 0.00 0.00 57.85 57.62 3kod n ARG 57 Cb 0.86 -1.20 0.36 0.00 0.45 0.00 0.00 32.46 32.93 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 0.00 0.03 -0.14 1.79 0.35 0.45 116.57 119.05 3kod h LYS 58 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kod h LYS 58 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3kod h LYS 58 CO 0.00 0.00 -0.01 0.00 -1.08 0.00 0.00 179.45 178.36 3kod h LEU 60 N -0.61 0.00 -0.36 0.00 3.38 -0.01 -3.37 115.31 114.35 3kod h LEU 60 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kod h LEU 60 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kod h LEU 60 CO 0.01 0.12 -0.16 0.59 0.09 0.00 0.00 178.44 179.09 3kod n ASN 61 N -3.15 0.59 -4.69 -0.43 4.13 -1.00 -3.31 115.26 107.40 3kod n ASN 61 Ca 0.03 -0.80 -0.42 0.00 1.68 0.00 0.00 54.58 55.07 3kod n ASN 61 Cb 0.53 0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 39.46 3kod n ASN 61 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kod s LEU 62 N -1.72 4.30 -0.82 3.41 1.43 -1.16 -4.77 118.68 119.35 3kod s LEU 62 Ca 0.03 1.98 -0.25 0.00 -1.03 0.00 0.00 54.13 54.86 3kod s LEU 62 Cb 0.04 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3kod s LEU 62 CO 0.16 -0.66 1.65 -0.13 0.23 0.00 0.00 176.35 177.60 3kod s ARG 63 N 2.34 2.97 0.00 1.70 0.52 -1.26 -4.02 118.95 121.19 3kod s ARG 63 Ca 0.60 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 3kod s ARG 63 Cb -0.28 -4.76 -0.01 0.00 0.52 0.00 0.00 34.95 30.42 3kod s ARG 63 CO 0.24 -2.65 0.33 1.28 0.02 0.00 0.00 175.30 174.53 3kod n LEU 64 N 11.38 0.62 -4.63 2.53 4.77 -0.24 -3.80 117.00 127.63 3kod n LEU 64 Ca 0.25 -0.70 -0.25 0.00 -0.03 0.00 0.00 56.01 55.27 3kod n LEU 64 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3kod n LEU 64 CO 0.67 0.14 -0.35 0.26 -1.33 0.00 0.00 177.39 176.77 3kod s TRP 65 N -0.90 2.72 -1.00 -1.77 0.51 -0.44 -4.89 118.94 113.17 3kod s TRP 65 Ca 0.02 -0.20 -0.09 0.00 -2.12 0.00 0.00 56.10 53.72 3kod s TRP 65 Cb 0.03 -1.27 0.25 0.00 -0.81 0.00 0.00 33.47 31.67 3kod s TRP 65 CO 0.10 0.56 0.96 -0.80 -0.51 0.00 0.00 176.95 177.26 3kod s ASN 66 N -3.21 6.93 -0.48 2.95 0.01 -1.26 -0.60 114.94 119.27 3kod s ASN 66 Ca 0.28 -3.38 -0.31 0.00 -0.71 0.00 0.00 52.86 48.75 3kod s ASN 66 Cb -0.08 -2.15 -0.11 0.00 0.41 0.00 0.00 41.25 39.32 3kod s ASN 66 CO 0.18 -0.34 2.34 -3.20 -1.51 0.00 0.00 177.10 174.57 3kod n ASN 67 N 2.98 2.00 0.00 -1.22 5.15 -1.20 -4.49 115.26 118.47 3kod n ASN 67 Ca 0.21 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 3kod n ASN 67 Cb 0.41 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 3kod n ASN 67 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3kod n ASP 68 N 11.89 0.00 0.00 1.20 -0.08 -1.26 -2.50 116.55 125.80 3kod n ASP 68 Ca 0.43 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 3kod n ASP 68 Cb 0.31 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.77 3kod n ASP 68 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3kod n ASN 69 N 0.04 0.00 -4.76 1.67 2.04 -1.26 -4.82 115.26 108.17 3kod n ASN 69 Ca 0.00 0.00 -0.41 0.00 -0.44 0.00 0.00 54.58 53.73 3kod n ASN 69 Cb 0.00 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.23 3kod n ASN 69 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3kod s LYS 70 N 0.00 4.24 0.49 -3.83 1.02 -1.04 -5.03 119.74 115.59 3kod s LYS 70 Ca 0.00 2.36 0.07 0.00 0.02 0.00 0.00 55.97 58.42 3kod s LYS 70 Cb 0.00 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 3kod s LYS 70 CO 0.00 -0.42 0.39 0.95 -0.92 0.00 0.00 175.35 175.35 3kod s THR 71 N -0.44 2.07 -0.72 2.17 -4.23 -1.26 -3.26 115.64 109.96 3kod s THR 71 Ca 0.56 -1.44 -0.21 0.00 -1.18 0.00 0.00 61.69 59.42 3kod s THR 71 Cb -0.43 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 70.93 3kod s THR 71 CO 0.49 0.00 0.41 0.79 -0.54 0.00 0.00 174.62 175.77 3kod n TRP 72 N -1.66 -0.84 0.00 3.99 7.02 -1.26 -4.77 117.44 119.92 3kod n TRP 72 Ca 0.01 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 3kod n TRP 72 Cb 0.63 -1.65 0.00 0.00 -2.42 0.00 0.00 31.31 27.87 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 -0.93 3.47 -4.35 -0.99 2.03 -0.69 -4.78 116.55 110.32 3kod n ASP 73 Ca -0.07 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.91 3kod n ASP 73 Cb 0.34 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.60 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 -1.87 3.35 0.71 -0.67 -0.14 0.23 -4.80 119.74 116.56 3kod s LYS 74 Ca 0.00 -0.69 -0.07 0.00 -1.36 0.00 0.00 55.97 53.84 3kod s LYS 74 Cb 0.00 -2.65 0.06 0.00 -1.68 0.00 0.00 37.83 33.56 3kod s LYS 74 CO 0.00 0.15 1.03 0.54 -0.76 0.00 0.00 175.35 176.31 3kod s ASN 75 N 0.51 4.84 0.09 2.83 4.22 -1.26 -1.08 114.94 125.09 3kod s ASN 75 Ca -0.09 0.52 -0.18 0.00 -2.14 0.00 0.00 52.86 50.98 3kod s ASN 75 Cb -0.16 -1.18 -0.04 0.00 1.28 0.00 0.00 41.25 41.15 3kod s ASN 75 CO 0.04 -1.59 1.28 0.52 -2.04 0.00 0.00 177.10 175.31 3kod n VAL 76 N -2.95 -0.39 0.00 3.54 0.31 -1.21 -2.66 118.33 114.98 3kod n VAL 76 Ca 0.08 1.98 -0.11 0.00 -0.01 0.00 0.00 64.34 66.28 3kod n VAL 76 Cb 0.60 -2.51 -0.05 0.00 -0.91 0.00 0.00 33.84 30.98 3kod n VAL 76 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kod h LYS 77 N 0.00 -0.42 -0.92 5.55 1.57 -1.94 -2.28 116.57 118.12 3kod h LYS 77 Ca 0.09 0.03 0.28 0.00 -1.87 0.00 0.00 60.65 59.18 3kod h LYS 77 Cb 0.23 0.10 -0.17 0.00 0.08 0.00 0.00 32.23 32.47 3kod h LYS 77 CO -0.54 -0.28 0.11 -0.25 -0.57 0.00 0.00 179.45 177.93 3kod n ASP 78 N -5.42 -0.02 -0.29 0.86 8.00 -1.09 0.11 116.55 118.70 3kod n ASP 78 Ca -0.04 1.56 0.13 0.00 0.71 0.00 0.00 54.79 57.16 3kod n ASP 78 Cb 0.34 -0.61 0.41 0.00 -0.02 0.00 0.00 41.12 41.24 3kod n ASP 78 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kod n LEU 79 N -5.31 1.12 -3.41 0.64 4.77 -0.89 -4.96 117.00 108.97 3kod n LEU 79 Ca 0.24 -0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 3kod n LEU 79 Cb 0.81 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.88 3kod n LEU 79 CO -0.05 0.20 0.09 0.59 -1.33 0.00 0.00 177.39 176.89 3kod n ASN 80 N -0.48 -2.76 -0.46 -1.43 5.03 0.31 -5.02 115.26 110.45 3kod n ASN 80 Ca 0.14 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.95 3kod n ASN 80 Cb 0.35 -5.12 0.00 0.00 -1.02 0.00 0.00 39.78 33.99 3kod n ASN 80 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3kod n TYR 81 N -3.99 0.00 -4.48 3.10 4.01 -1.22 -5.06 117.16 109.51 3kod n TYR 81 Ca -0.25 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.25 3kod n TYR 81 Cb 0.66 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.60 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 3.28 1.76 -0.35 -0.72 2.02 -1.05 -4.86 118.70 118.77 3kod s GLU 82 Ca 0.00 -2.02 0.04 0.00 0.02 0.00 0.00 54.97 53.01 3kod s GLU 82 Cb 0.00 -0.82 0.16 0.00 0.10 0.00 0.00 34.13 33.57 3kod s GLU 82 CO 0.00 -0.28 0.43 -0.51 0.02 0.00 0.00 175.26 174.92 3kod s LEU 83 N -3.54 -0.55 0.21 1.80 1.02 -0.78 -1.60 118.68 115.24 3kod s LEU 83 Ca 0.31 -1.08 -0.32 0.00 0.02 0.00 0.00 54.13 53.07 3kod s LEU 83 Cb 0.07 0.98 -0.12 0.00 0.02 0.00 0.00 46.19 47.14 3kod s LEU 83 CO 0.15 -0.27 1.68 -0.22 0.02 0.00 0.00 176.35 177.71 3kod s LEU 84 N 1.84 4.37 -0.15 1.79 2.96 0.24 -3.48 118.68 126.25 3kod s LEU 84 Ca 0.15 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.90 3kod s LEU 84 Cb -0.12 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.99 3kod s LEU 84 CO -0.12 -0.94 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.21 3kod s ILE 85 N 1.02 1.53 0.02 6.68 -1.09 -0.95 0.02 121.20 128.43 3kod s ILE 85 Ca 0.73 -0.65 0.06 0.00 -2.23 0.00 0.00 60.65 58.55 3kod s ILE 85 Cb -0.48 -1.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.91 3kod s ILE 85 CO 0.34 0.41 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.60 3kod s VAL 86 N 1.50 1.35 -0.38 2.92 1.01 0.35 -3.13 120.40 124.02 3kod s VAL 86 Ca 0.04 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 3kod s VAL 86 Cb -0.13 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3kod s VAL 86 CO -0.10 0.21 0.68 -0.55 0.00 0.00 0.00 175.10 175.33 3kod s SER 87 N -0.85 6.43 -0.56 3.32 0.15 -1.26 -0.50 113.70 120.42 3kod s SER 87 Ca 0.05 0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.82 3kod s SER 87 Cb -0.08 -2.34 0.17 0.00 -1.71 0.00 0.00 66.02 62.06 3kod s SER 87 CO 0.01 -0.68 0.41 -1.10 1.20 0.00 0.00 173.24 173.08 3kod s GLN 88 N 2.85 1.73 0.59 5.44 -1.52 0.94 -4.84 119.66 124.86 3kod s GLN 88 Ca 0.26 -2.73 0.37 0.00 -1.95 0.00 0.00 55.36 51.30 3kod s GLN 88 Cb -0.14 -2.52 1.76 0.00 -0.22 0.00 0.00 33.01 31.89 3kod s GLN 88 CO 0.17 -1.32 2.13 0.27 -0.25 0.00 0.00 175.29 176.29 3kod h PHE 89 N 5.60 0.00 -0.63 0.91 -5.15 -1.95 -1.54 116.94 114.19 3kod h PHE 89 Ca 0.18 0.00 0.18 0.00 -0.20 0.00 0.00 57.97 58.14 3kod h PHE 89 Cb 0.83 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.98 3kod h PHE 89 CO 0.50 0.01 0.48 1.79 -2.00 0.00 0.00 178.31 179.09 3kod h THR 90 N 0.00 0.61 0.00 0.88 1.35 -1.96 0.39 112.91 114.18 3kod h THR 90 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3kod h THR 90 Cb 0.32 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 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 -4.22 0.00 -1.00 3.87 4.77 -0.58 -0.72 117.00 119.12 3kod n LEU 91 Ca 0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 3kod n LEU 91 Cb 0.73 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 42.02 3kod n LEU 91 CO 0.36 0.00 0.55 0.49 -1.33 0.00 0.00 177.39 177.46 3kod n PHE 92 N -0.99 0.76 -2.84 -1.77 3.72 0.14 -4.89 117.46 111.59 3kod n PHE 92 Ca 0.10 -1.61 -0.43 0.00 -0.05 0.00 0.00 57.45 55.46 3kod n PHE 92 Cb 0.05 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.16 3kod n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kod s GLY 93 N -2.85 1.80 -0.44 1.37 0.00 0.10 -4.16 107.32 103.15 3kod s GLY 93 Ca 0.43 -2.70 -0.37 0.00 0.00 0.00 0.00 44.72 42.08 3kod s GLY 93 CO -0.03 2.18 2.22 -2.01 0.00 0.00 0.00 173.10 175.47 3kod n ASN 94 N 7.06 1.67 -0.55 1.64 5.15 0.22 -4.76 115.26 125.69 3kod n ASN 94 Ca 0.27 0.42 0.11 0.00 -0.60 0.00 0.00 54.58 54.78 3kod n ASN 94 Cb 0.49 -1.17 0.01 0.00 -0.53 0.00 0.00 39.78 38.58 3kod n ASN 94 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3kod n THR 95 N 7.09 0.00 -0.30 -0.44 -2.24 -1.26 -3.30 114.28 113.82 3kod n THR 95 Ca 0.46 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.93 3kod n THR 95 Cb 0.16 1.28 0.16 0.00 -2.10 0.00 0.00 70.33 69.84 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 2.68 1.17 0.00 -0.78 1.57 -1.99 -3.18 116.57 116.04 3kod h LYS 96 Ca 0.00 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 3kod h LYS 96 Cb 0.78 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3kod h LYS 96 CO 0.00 0.81 -0.66 0.87 -0.57 0.00 0.00 179.45 179.90 3kod h LYS 97 N 1.20 0.00 0.00 3.15 1.57 -1.95 -3.49 116.57 117.05 3kod h LYS 97 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3kod h LYS 97 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3kod h LYS 97 CO -0.06 0.66 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 3kod n GLY 98 N 0.54 -0.50 0.06 3.86 0.00 -1.20 -5.03 105.19 102.91 3kod n GLY 98 Ca -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.59 -4.58 1.61 3.02 -1.26 -4.61 115.26 110.04 3kod n ASN 99 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3kod n ASN 99 Cb 0.00 1.27 -0.03 0.00 -0.61 0.00 0.00 39.78 40.41 3kod n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3kod s LYS 100 N -2.75 3.42 1.12 3.52 2.20 -1.26 -5.03 119.74 120.96 3kod s LYS 100 Ca -0.08 0.26 -0.13 0.00 -0.36 0.00 0.00 55.97 55.66 3kod s LYS 100 Cb 0.08 -4.06 0.26 0.00 -1.51 0.00 0.00 37.83 32.59 3kod s LYS 100 CO 0.76 -1.81 1.05 -1.25 -0.36 0.00 0.00 175.35 173.73 3kod s PRO 101 N 5.21 -0.59 0.04 4.03 0.04 -1.26 -4.99 135.00 137.47 3kod s PRO 101 Ca 0.45 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 3kod s PRO 101 Cb -0.08 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 3kod s PRO 101 CO 0.24 -3.46 -0.01 0.16 0.04 0.00 0.00 177.00 173.97 3kod s ASP 102 N -2.84 0.33 -0.19 6.66 1.47 -1.21 -4.96 116.67 115.93 3kod s ASP 102 Ca 0.68 -0.71 0.12 0.00 1.18 0.00 0.00 52.55 53.82 3kod s ASP 102 Cb -0.23 0.16 0.42 0.00 -0.34 0.00 0.00 42.92 42.93 3kod s ASP 102 CO 0.62 -0.46 1.22 0.49 0.68 0.00 0.00 175.17 177.72 3kod n PHE 103 N 0.86 0.00 -0.34 2.11 3.72 -1.26 -0.61 117.46 121.94 3kod n PHE 103 Ca -0.19 -1.42 0.20 0.00 -0.05 0.00 0.00 57.45 55.99 3kod n PHE 103 Cb 0.58 -0.24 0.44 0.00 -0.94 0.00 0.00 39.48 39.32 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 0.99 0.87 -0.13 1.38 3.86 -1.98 0.09 115.15 120.23 3kod h HIS 104 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3kod h HIS 104 Cb 1.07 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.29 3kod h HIS 104 CO 0.71 0.06 0.00 -0.11 0.86 0.00 0.00 177.93 179.45 3kod n LEU 105 N -4.78 0.76 -4.41 2.43 7.94 -1.26 -4.80 117.00 112.88 3kod n LEU 105 Ca 0.26 -0.38 -0.35 0.00 -1.11 0.00 0.00 56.01 54.44 3kod n LEU 105 Cb 0.81 -0.11 -0.13 0.00 0.53 0.00 0.00 43.42 44.51 3kod n LEU 105 CO 0.20 0.18 -0.35 0.00 -1.11 0.00 0.00 177.39 176.31 3kod s ALA 106 N -1.80 2.95 0.10 1.96 0.00 0.02 -3.11 121.76 121.88 3kod s ALA 106 Ca 0.09 -1.02 -0.36 0.00 0.00 0.00 0.00 51.96 50.67 3kod s ALA 106 Cb 0.05 -1.71 -0.16 0.00 0.00 0.00 0.00 23.12 21.29 3kod s ALA 106 CO 0.06 -0.17 1.33 1.17 0.00 0.00 0.00 175.76 178.14 3kod n LYS 107 N 4.29 1.19 -1.07 0.00 4.81 0.47 -4.66 118.16 123.19 3kod n LYS 107 Ca -0.17 0.43 -0.42 0.00 -0.87 0.00 0.00 58.31 57.28 3kod n LYS 107 Cb 0.52 -2.06 -0.06 0.00 0.02 0.00 0.00 35.03 33.45 3kod n LYS 107 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3kod n GLU 108 N 2.45 0.00 -0.35 1.64 0.00 -1.26 -4.57 120.64 118.55 3kod n GLU 108 Ca 0.18 0.00 0.28 0.00 0.00 0.00 0.00 57.16 57.62 3kod n GLU 108 Cb 0.20 -1.02 0.54 0.00 0.00 0.00 0.00 31.44 31.17 3kod n GLU 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3kod h PRO 109 N 2.45 0.19 0.18 5.31 0.11 -1.99 -1.98 132.00 136.28 3kod h PRO 109 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3kod h PRO 109 Cb 0.96 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3kod h PRO 109 CO 0.51 0.12 -0.09 -0.91 -0.21 0.00 0.00 178.00 177.43 3kod h ASN 110 N 0.19 -0.20 -0.86 -2.05 -0.26 -2.01 -2.96 115.58 107.44 3kod h ASN 110 Ca 0.78 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 56.19 3kod h ASN 110 Cb 1.99 0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 39.26 3kod h ASN 110 CO -0.61 0.33 0.54 -0.33 -1.06 0.00 0.00 177.43 176.30 3kod h GLU 111 N -0.86 1.15 0.00 0.81 5.08 -1.82 0.88 114.58 119.83 3kod h GLU 111 Ca -0.02 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3kod h GLU 111 Cb 0.52 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kod h GLU 111 CO 0.04 0.79 -0.02 0.00 -1.00 0.00 0.00 179.01 178.82 3kod h ALA 112 N 1.42 1.42 0.36 3.43 0.00 -1.48 -2.01 119.26 122.40 3kod h ALA 112 Ca 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kod h ALA 112 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kod h ALA 112 CO -0.06 0.02 -0.17 1.25 0.00 0.00 0.00 179.25 180.29 3kod h LEU 113 N 0.00 -0.41 -1.78 0.00 5.85 -0.64 -1.21 115.31 117.12 3kod h LEU 113 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3kod h LEU 113 Cb 0.05 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kod h LEU 113 CO 0.00 0.04 0.00 0.40 -0.34 0.00 0.00 178.44 178.54 3kod h ILE 114 N -0.99 0.00 0.32 4.05 5.03 -1.54 -1.24 117.51 123.14 3kod h ILE 114 Ca -0.05 -0.35 -0.02 0.00 -0.12 0.00 0.00 64.86 64.32 3kod h ILE 114 Cb 0.51 1.32 0.00 0.00 -3.03 0.00 0.00 36.82 35.62 3kod h ILE 114 CO 0.08 0.00 -0.15 0.15 -0.68 0.00 0.00 178.15 177.55 3kod h PHE 115 N 0.00 -0.40 -0.49 1.37 3.04 -1.37 -2.26 116.94 116.83 3kod h PHE 115 Ca 0.00 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.03 3kod h PHE 115 Cb 0.36 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.93 3kod h PHE 115 CO 0.00 -0.06 0.08 -0.92 -2.02 0.00 0.00 178.31 175.39 3kod h TYR 116 N -0.87 0.11 -0.24 0.41 5.03 -0.90 -0.73 116.97 119.78 3kod h TYR 116 Ca -0.04 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.36 3kod h TYR 116 Cb 0.52 0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.75 3kod h TYR 116 CO 0.03 -0.03 -0.33 -0.91 -1.32 0.00 0.00 178.16 175.61 3kod h ASN 117 N 0.20 -1.04 0.60 -2.11 2.35 -1.28 -1.96 115.58 112.35 3kod h ASN 117 Ca 0.25 0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 56.13 3kod h ASN 117 Cb 0.35 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3kod h ASN 117 CO -0.35 -0.34 -0.17 0.11 -1.65 0.00 0.00 177.43 175.03 3kod h LYS 118 N -0.34 0.00 -0.46 0.81 6.56 -0.80 -1.96 116.57 120.39 3kod h LYS 118 Ca 0.12 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.60 3kod h LYS 118 Cb 0.54 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 3kod h LYS 118 CO -0.43 0.17 -0.16 0.82 -2.06 0.00 0.00 179.45 177.79 3kod h ILE 119 N 0.00 1.27 -0.29 1.86 2.04 -0.52 -3.16 117.51 118.71 3kod h ILE 119 Ca -0.00 -1.30 -0.13 0.00 1.00 0.00 0.00 64.86 64.43 3kod h ILE 119 Cb 0.52 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3kod h ILE 119 CO 0.02 0.45 -0.33 0.40 0.00 0.00 0.00 178.15 178.68 3kod h ILE 120 N 0.76 1.30 -0.48 -0.67 1.08 -0.64 0.14 117.51 118.99 3kod h ILE 120 Ca 0.11 -1.51 0.09 0.00 -0.39 0.00 0.00 64.86 63.16 3kod h ILE 120 Cb 0.72 1.59 -0.08 0.00 -3.07 0.00 0.00 36.82 35.97 3kod h ILE 120 CO 0.05 0.49 -0.02 0.44 -0.69 0.00 0.00 178.15 178.42 3kod h ASP 121 N 0.50 -0.25 -0.64 1.72 3.32 -1.60 0.86 116.42 120.33 3kod h ASP 121 Ca 0.04 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 3kod h ASP 121 Cb 0.92 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3kod h ASP 121 CO 0.08 -0.09 0.08 -0.08 -1.72 0.00 0.00 179.24 177.52 3kod h GLU 122 N 0.09 1.08 -0.56 3.56 4.57 -1.47 1.35 114.58 123.19 3kod h GLU 122 Ca 0.24 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3kod h GLU 122 Cb 0.36 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 3kod h GLU 122 CO -0.42 1.00 0.33 0.74 -1.18 0.00 0.00 179.01 179.48 3kod h PHE 123 N 1.01 0.61 -0.24 0.92 0.04 0.01 0.58 116.94 119.86 3kod h PHE 123 Ca 0.19 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 3kod h PHE 123 Cb 0.46 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3kod h PHE 123 CO 0.03 0.33 0.04 0.87 -0.60 0.00 0.00 178.31 178.98 3kod h LYS 124 N 0.64 0.40 0.08 1.51 1.57 0.16 -2.24 116.57 118.70 3kod h LYS 124 Ca 0.23 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3kod h LYS 124 Cb 0.06 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3kod h LYS 124 CO -0.12 0.53 -0.42 0.87 -0.57 0.00 0.00 179.45 179.74 3kod h LYS 125 N 0.21 -0.57 0.00 3.15 1.79 0.20 -2.31 116.57 119.05 3kod h LYS 125 Ca 0.07 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3kod h LYS 125 Cb 0.33 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3kod h LYS 125 CO 0.01 -0.38 0.00 1.04 -1.08 0.00 0.00 179.45 179.04 3kod n GLN 126 N -4.83 0.18 0.00 3.15 6.02 0.20 -4.61 117.38 117.48 3kod n GLN 126 Ca -0.07 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3kod n GLN 126 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.26 0.00 -3.42 1.08 9.36 -0.85 -5.05 117.16 117.02 3kod n TYR 127 Ca 0.06 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.29 3kod n TYR 127 Cb 0.09 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.77 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 -1.18 0.59 2.98 3.84 -0.90 -4.99 114.94 116.28 3kod s ASN 128 Ca 0.00 1.20 0.30 0.00 0.21 0.00 0.00 52.86 54.58 3kod s ASN 128 Cb 0.00 2.17 1.36 0.00 -0.55 0.00 0.00 41.25 44.24 3kod s ASN 128 CO 0.00 -0.22 1.72 -2.24 -2.79 0.00 0.00 177.10 173.57 3kod h ASP 129 N 7.97 0.00 -0.54 -4.21 3.04 -1.90 -1.78 116.42 119.00 3kod h ASP 129 Ca -0.20 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.59 3kod h ASP 129 Cb 1.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 3kod h ASP 129 CO 0.15 0.00 0.00 -0.67 -2.04 0.00 0.00 179.24 176.68 3kod n ASP 130 N -3.68 5.39 0.00 4.15 -0.08 -1.26 -3.87 116.55 117.20 3kod n ASP 130 Ca 0.16 -2.85 0.00 0.00 -1.51 0.00 0.00 54.79 50.59 3kod n ASP 130 Cb 1.02 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.81 3kod n ASP 130 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kod n LYS 131 N 0.60 0.39 -3.66 -0.67 4.76 -0.67 -4.95 118.16 113.96 3kod n LYS 131 Ca 0.26 -0.56 -0.29 0.00 -2.87 0.00 0.00 58.31 54.84 3kod n LYS 131 Cb 1.13 -0.59 -0.09 0.00 -1.84 0.00 0.00 35.03 33.63 3kod n LYS 131 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kod n ILE 132 N -0.07 2.26 -2.54 -0.18 2.08 -1.25 -1.87 119.36 117.79 3kod n ILE 132 Ca 0.00 -5.08 -0.34 0.00 0.56 0.00 0.00 62.75 57.89 3kod n ILE 132 Cb 0.40 -2.18 -0.04 0.00 -0.75 0.00 0.00 39.64 37.08 3kod n ILE 132 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3kod s LYS 133 N -1.87 3.85 0.07 0.38 -0.14 -1.23 -4.97 119.74 115.84 3kod s LYS 133 Ca 0.31 1.39 0.05 0.00 -1.36 0.00 0.00 55.97 56.35 3kod s LYS 133 Cb 0.02 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 3kod s LYS 133 CO -0.10 -0.39 -0.13 0.96 -0.76 0.00 0.00 175.35 174.93 3kod s ILE 134 N -1.93 1.02 0.14 2.17 -4.36 -1.26 -2.24 121.20 114.74 3kod s ILE 134 Ca 0.66 -1.27 -0.08 0.00 -0.26 0.00 0.00 60.65 59.69 3kod s ILE 134 Cb -0.17 -1.00 -0.06 0.00 1.25 0.00 0.00 42.46 42.48 3kod s ILE 134 CO 0.21 -0.25 0.44 -0.83 0.24 0.00 0.00 174.94 174.75 3kod s GLY 135 N -1.71 2.30 -0.73 6.27 0.00 -1.18 -4.77 107.32 107.49 3kod s GLY 135 Ca -0.03 -0.39 -0.26 0.00 0.00 0.00 0.00 44.72 44.04 3kod s GLY 135 CO 0.02 -0.23 1.82 0.54 0.00 0.00 0.00 173.10 175.25 3kod s LYS 136 N -2.37 2.69 0.00 2.90 -0.14 -1.26 -4.82 119.74 116.74 3kod s LYS 136 Ca 0.39 0.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.20 3kod s LYS 136 Cb -0.13 -4.61 0.00 0.00 -1.68 0.00 0.00 37.83 31.41 3kod s LYS 136 CO 0.21 -2.85 0.00 0.34 -0.76 0.00 0.00 175.35 172.29 3kod n PHE 137 N 12.67 0.00 -2.11 3.18 7.35 -1.26 -2.59 117.46 134.70 3kod n PHE 137 Ca 0.25 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.73 3kod n PHE 137 Cb 0.50 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.35 3kod n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kod n GLY 138 N -0.21 5.95 3.25 7.13 0.00 -1.26 -4.71 105.19 115.33 3kod n GLY 138 Ca 0.00 -2.51 -0.32 0.00 0.00 0.00 0.00 46.02 43.18 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 -3.62 3.22 -0.39 1.61 0.01 -1.07 -5.06 114.94 109.64 3kod s ASN 139 Ca 0.49 -0.52 -0.35 0.00 -0.71 0.00 0.00 52.86 51.76 3kod s ASN 139 Cb 0.40 -1.38 -0.15 0.00 0.41 0.00 0.00 41.25 40.53 3kod s ASN 139 CO 0.03 0.17 1.49 0.00 -1.51 0.00 0.00 177.10 177.28 3kod n TYR 140 N 3.46 1.10 -4.04 2.20 9.36 -1.26 -4.90 117.16 123.09 3kod n TYR 140 Ca -0.19 0.73 -0.27 0.00 3.32 0.00 0.00 57.90 61.49 3kod n TYR 140 Cb 0.53 -1.77 -0.05 0.00 -0.63 0.00 0.00 39.34 37.42 3kod n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3kod s MET 141 N 3.68 3.05 -0.28 2.98 -1.94 -1.26 -4.59 119.30 120.94 3kod s MET 141 Ca 0.89 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 54.09 3kod s MET 141 Cb -1.17 -2.75 0.09 0.00 2.01 0.00 0.00 34.83 33.01 3kod s MET 141 CO 0.57 0.51 0.06 1.21 -0.01 0.00 0.00 175.02 177.36 3kod s ASN 142 N -3.03 3.81 -0.23 3.03 2.47 0.33 -4.98 114.94 116.34 3kod s ASN 142 Ca 0.32 -1.43 -0.06 0.00 0.42 0.00 0.00 52.86 52.11 3kod s ASN 142 Cb -0.11 -0.88 -0.02 0.00 -1.45 0.00 0.00 41.25 38.79 3kod s ASN 142 CO 0.25 -0.37 0.02 -0.63 -3.72 0.00 0.00 177.10 172.65 3kod s ILE 143 N 1.61 3.97 -0.78 -5.21 1.01 -1.26 -0.48 121.20 120.05 3kod s ILE 143 Ca 0.06 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 3kod s ILE 143 Cb -0.17 -2.83 0.14 0.00 0.01 0.00 0.00 42.46 39.60 3kod s ILE 143 CO -0.18 0.38 0.89 -1.81 0.00 0.00 0.00 174.94 174.21 3kod s ASP 144 N 1.48 6.49 -0.09 3.58 1.11 -1.22 -4.89 116.67 123.13 3kod s ASP 144 Ca 0.06 -1.94 -0.16 0.00 0.18 0.00 0.00 52.55 50.69 3kod s ASP 144 Cb -0.15 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 3kod s ASP 144 CO 0.01 -0.99 0.42 -0.69 1.18 0.00 0.00 175.17 175.10 3kod s VAL 145 N 2.16 5.16 -0.49 -1.27 1.01 -1.26 -1.66 120.40 124.04 3kod s VAL 145 Ca 0.21 0.83 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 3kod s VAL 145 Cb -0.13 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.61 3kod s VAL 145 CO -0.03 0.43 0.41 -0.89 0.00 0.00 0.00 175.10 175.02 3kod s THR 146 N 0.01 4.91 0.17 3.92 2.01 0.39 -4.96 115.64 122.08 3kod s THR 146 Ca 0.23 -1.42 -0.30 0.00 0.31 0.00 0.00 61.69 60.51 3kod s THR 146 Cb -0.15 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 3kod s THR 146 CO 0.10 -0.73 1.07 0.20 -0.69 0.00 0.00 174.62 174.57 3kod s ASN 147 N 2.97 7.32 -0.23 3.53 0.01 -1.26 -1.46 114.94 125.82 3kod s ASN 147 Ca 0.04 2.03 0.01 0.00 -0.71 0.00 0.00 52.86 54.23 3kod s ASN 147 Cb -0.27 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 38.84 3kod s ASN 147 CO 0.03 -0.18 -0.08 -0.62 -1.51 0.00 0.00 177.10 174.74 3kod s ASP 148 N -0.14 3.80 0.00 -1.22 2.15 0.11 -4.76 116.67 116.61 3kod s ASP 148 Ca 0.49 -1.11 0.00 0.00 0.43 0.00 0.00 52.55 52.35 3kod s ASP 148 Cb -0.28 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 3kod s ASP 148 CO 0.34 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 3kod n GLY 149 N 4.63 1.89 3.89 2.66 0.00 -1.26 -3.44 105.19 113.55 3kod n GLY 149 Ca -0.13 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 0.20 -0.22 1.61 0.04 -1.26 -5.19 135.00 130.18 3kod s PRO 150 Ca 0.00 -0.43 -0.04 0.00 0.04 0.00 0.00 61.00 60.58 3kod s PRO 150 Cb 0.00 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.86 3kod s PRO 150 CO 0.00 -2.71 0.34 0.08 0.04 0.00 0.00 177.00 174.76 3kod s VAL 151 N -3.80 -0.54 -0.09 -0.36 1.01 -1.22 -5.03 120.40 110.37 3kod s VAL 151 Ca 0.75 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.73 3kod s VAL 151 Cb -0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3kod s VAL 151 CO 0.54 -0.10 -0.17 -0.89 0.00 0.00 0.00 175.10 174.47 3kod s THR 152 N 2.50 2.73 -0.05 3.92 2.01 -1.26 -2.03 115.64 123.46 3kod s THR 152 Ca 0.09 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.33 3kod s THR 152 Cb -0.15 -2.08 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 3kod s THR 152 CO -0.14 0.56 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.52 3kod s ILE 153 N -0.08 1.64 -0.26 1.82 -1.09 0.17 -4.96 121.20 118.44 3kod s ILE 153 Ca -0.04 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3kod s ILE 153 Cb -0.14 -1.40 0.07 0.00 -1.58 0.00 0.00 42.46 39.41 3kod s ILE 153 CO 0.04 0.47 -0.00 -0.47 -1.23 0.00 0.00 174.94 173.74 3kod s TYR 154 N 0.02 2.33 -0.04 3.97 6.14 -1.26 -0.46 117.35 128.05 3kod s TYR 154 Ca -0.05 -1.84 -0.03 0.00 0.64 0.00 0.00 57.07 55.78 3kod s TYR 154 Cb -0.13 -1.74 -0.04 0.00 0.42 0.00 0.00 41.96 40.47 3kod s TYR 154 CO 0.03 -0.80 0.14 0.42 0.64 0.00 0.00 175.55 175.97 3kod s ILE 155 N 1.41 5.22 -0.27 3.14 1.01 -1.08 -5.00 121.20 125.62 3kod s ILE 155 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 3kod s ILE 155 Cb -0.18 -3.37 0.08 0.00 0.01 0.00 0.00 42.46 38.99 3kod s ILE 155 CO -0.10 0.42 0.05 -0.62 0.00 0.00 0.00 174.94 174.68 3kod s ASP 156 N -1.61 3.83 0.20 3.58 -1.08 -1.26 -1.58 116.67 118.76 3kod s ASP 156 Ca 0.22 -1.41 -0.22 0.00 -0.52 0.00 0.00 52.55 50.62 3kod s ASP 156 Cb -0.12 -0.96 0.14 0.00 -1.46 0.00 0.00 42.92 40.52 3kod s ASP 156 CO 0.13 -0.35 1.56 0.71 0.52 0.00 0.00 175.17 177.74 3kod h THR 157 N 6.55 0.04 0.00 1.71 1.35 -0.68 -0.32 112.91 121.56 3kod h THR 157 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3kod h THR 157 Cb 1.05 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3kod h THR 157 CO 0.43 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.11 3kod n HIS 158 N -5.42 0.00 0.62 4.73 8.25 -1.26 -4.99 115.22 117.14 3kod n HIS 158 Ca 0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 3kod n HIS 158 Cb 0.36 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.53 3kod n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73