#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 3.31 -0.12 2.12 0.52 -0.61 -1.60 118.95 122.56 3kod s ARG 2 Ca 0.00 -0.79 -0.08 0.00 -0.52 0.00 0.00 55.73 54.34 3kod s ARG 2 Cb 0.00 -2.83 0.04 0.00 0.52 0.00 0.00 34.95 32.68 3kod s ARG 2 CO 0.00 0.45 0.29 0.54 0.02 0.00 0.00 175.30 176.60 3kod s VAL 3 N -1.94 -0.02 -0.31 3.52 0.11 -0.20 -0.02 120.40 121.55 3kod s VAL 3 Ca 0.34 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 3kod s VAL 3 Cb -0.09 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 3kod s VAL 3 CO 0.28 0.03 0.19 -0.69 -3.33 0.00 0.00 175.10 171.58 3kod s VAL 4 N 0.73 5.08 -0.24 2.04 1.01 0.54 -2.52 120.40 127.04 3kod s VAL 4 Ca -0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3kod s VAL 4 Cb -0.06 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3kod s VAL 4 CO -0.05 0.13 0.10 -0.63 0.00 0.00 0.00 175.10 174.65 3kod s ILE 5 N 1.71 4.71 0.03 2.22 1.01 0.43 -0.44 121.20 130.86 3kod s ILE 5 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.74 3kod s ILE 5 Cb -0.17 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 3kod s ILE 5 CO 0.09 0.35 -0.21 -1.10 0.00 0.00 0.00 174.94 174.07 3kod s GLN 6 N 1.32 1.50 -0.04 2.79 -0.21 -0.47 -0.70 119.66 123.85 3kod s GLN 6 Ca 0.06 -0.93 -0.27 0.00 0.02 0.00 0.00 55.36 54.24 3kod s GLN 6 Cb -0.15 -1.59 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 3kod s GLN 6 CO 0.05 0.41 0.85 0.50 -2.12 0.00 0.00 175.29 174.98 3kod s ARG 7 N -1.06 4.49 0.11 2.91 3.52 -0.70 -2.34 118.95 125.89 3kod s ARG 7 Ca 0.08 1.17 0.09 0.00 -0.13 0.00 0.00 55.73 56.94 3kod s ARG 7 Cb -0.09 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3kod s ARG 7 CO 0.01 -0.02 -0.20 0.14 -0.81 0.00 0.00 175.30 174.42 3kod s VAL 8 N 0.98 2.68 0.16 7.11 -7.23 0.77 -1.25 120.40 123.62 3kod s VAL 8 Ca 0.45 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 59.00 3kod s VAL 8 Cb -0.19 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 3kod s VAL 8 CO 0.23 0.12 1.51 0.11 -0.31 0.00 0.00 175.10 176.76 3kod h LYS 9 N 3.86 0.87 -2.00 4.82 1.79 -1.38 -2.13 116.57 122.39 3kod h LYS 9 Ca -0.50 -0.45 0.34 0.00 -2.18 0.00 0.00 60.65 57.86 3kod h LYS 9 Cb 1.17 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.75 3kod h LYS 9 CO 0.44 1.09 0.88 0.20 -1.08 0.00 0.00 179.45 180.99 3kod s GLY 10 N -3.88 -0.18 -0.19 3.86 0.00 -1.25 0.52 107.32 106.20 3kod s GLY 10 Ca -0.10 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.60 3kod s GLY 10 CO 0.87 4.46 0.51 0.00 0.00 0.00 0.00 173.10 178.94 3kod s ALA 11 N -2.10 -1.28 -0.15 3.20 0.00 0.21 -0.92 121.76 120.72 3kod s ALA 11 Ca 0.26 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.74 3kod s ALA 11 Cb 0.01 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.27 3kod s ALA 11 CO -0.01 -0.25 -0.18 0.42 0.00 0.00 0.00 175.76 175.74 3kod s ILE 12 N 0.45 1.82 -0.17 0.00 1.01 0.26 -1.28 121.20 123.28 3kod s ILE 12 Ca -0.01 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 3kod s ILE 12 Cb -0.04 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3kod s ILE 12 CO -0.02 0.50 0.07 -0.22 0.00 0.00 0.00 174.94 175.27 3kod s LEU 13 N 1.26 3.86 0.06 2.97 0.20 -0.54 -0.11 118.68 126.38 3kod s LEU 13 Ca 0.02 0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.99 3kod s LEU 13 Cb -0.14 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 3kod s LEU 13 CO -0.09 0.21 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.66 3kod s SER 14 N 0.15 1.01 0.25 3.68 0.01 0.30 -0.90 113.70 118.21 3kod s SER 14 Ca 0.05 -0.67 0.11 0.00 1.31 0.00 0.00 55.95 56.75 3kod s SER 14 Cb -0.12 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 3kod s SER 14 CO 0.00 -0.26 -0.20 0.68 0.41 0.00 0.00 173.24 173.88 3kod s VAL 15 N -1.93 2.35 0.00 3.43 -7.23 -0.79 -0.93 120.40 115.31 3kod s VAL 15 Ca -0.04 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.84 3kod s VAL 15 Cb -0.06 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.66 3kod s VAL 15 CO -0.01 -0.36 0.00 -1.14 -0.31 0.00 0.00 175.10 173.28 3kod n ARG 16 N -0.39 0.00 0.00 4.82 3.00 -1.26 -0.27 116.66 122.57 3kod n ARG 16 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3kod n ARG 16 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 3kod n ARG 16 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3kod n GLU 26 N 0.00 0.00 -1.96 -0.14 0.00 -1.26 -4.66 120.64 112.62 3kod n GLU 26 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 3kod n GLU 26 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 31.44 31.48 3kod n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3kod n LEU 27 N 0.00 0.00 -3.35 -1.84 4.77 -1.26 -5.14 117.00 110.18 3kod n LEU 27 Ca 0.00 -1.27 0.02 0.00 -0.03 0.00 0.00 56.01 54.73 3kod n LEU 27 Cb 0.00 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 3kod n LEU 27 CO 0.00 -0.63 0.49 -1.83 -1.33 0.00 0.00 177.39 174.09 3kod s GLU 28 N -3.44 0.35 0.30 3.23 -1.05 0.63 -4.91 118.70 113.81 3kod s GLU 28 Ca 0.32 0.79 -0.27 0.00 -0.15 0.00 0.00 54.97 55.66 3kod s GLU 28 Cb -0.02 0.46 -0.14 0.00 -0.44 0.00 0.00 34.13 33.99 3kod s GLU 28 CO 0.21 -0.21 0.79 -0.89 0.95 0.00 0.00 175.26 176.10 3kod n ILE 29 N 5.21 1.96 -0.01 1.83 5.41 -1.26 -1.88 119.36 130.62 3kod n ILE 29 Ca -0.08 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.17 3kod n ILE 29 Cb 0.52 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 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 -0.10 0.00 -3.62 1.39 -6.64 -0.08 -4.82 119.36 105.48 3kod n ILE 30 Ca 0.12 -0.04 -0.12 0.00 -1.77 0.00 0.00 62.75 60.94 3kod n ILE 30 Cb 0.32 1.01 -0.05 0.00 -1.44 0.00 0.00 39.64 39.47 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 -0.08 -0.32 0.21 7.28 0.01 -1.11 -5.02 113.70 114.67 3kod s SER 31 Ca 0.00 -0.04 -0.19 0.00 1.31 0.00 0.00 55.95 57.03 3kod s SER 31 Cb 0.00 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.73 3kod s SER 31 CO 0.00 -0.74 0.58 -1.83 0.41 0.00 0.00 173.24 171.66 3kod s GLU 32 N -2.86 1.45 -0.14 12.44 -1.05 -1.26 -1.47 118.70 125.81 3kod s GLU 32 Ca -0.03 -0.81 -0.12 0.00 -0.15 0.00 0.00 54.97 53.86 3kod s GLU 32 Cb -0.00 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.28 3kod s GLU 32 CO -0.05 -0.63 0.36 0.96 0.95 0.00 0.00 175.26 176.84 3kod s ILE 33 N -3.86 -0.00 0.00 1.83 -4.36 -0.41 -4.98 121.20 109.42 3kod s ILE 33 Ca 0.08 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 3kod s ILE 33 Cb -0.02 -0.51 0.00 0.00 1.25 0.00 0.00 42.46 43.18 3kod s ILE 33 CO -0.03 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.45 3kod n LYS 34 N 2.98 3.06 -1.56 0.37 4.76 -1.26 0.66 118.16 127.17 3kod n LYS 34 Ca -0.14 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.90 3kod n LYS 34 Cb 0.57 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.79 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 0.36 0.00 4.39 3.02 0.18 -3.77 115.26 119.44 3kod n ASN 35 Ca 0.00 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 3kod n ASN 35 Cb 0.00 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 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 1.42 -0.09 2.86 7.41 0.00 -0.80 -2.54 105.19 113.44 3kod n GLY 36 Ca 0.11 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 1.45 -0.07 0.99 1.43 0.23 -0.16 118.68 122.56 3kod s LEU 37 Ca 0.00 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 3kod s LEU 37 Cb 0.00 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 3kod s LEU 37 CO 0.00 -0.05 0.40 -0.51 0.23 0.00 0.00 176.35 176.42 3kod s ILE 38 N 0.65 5.14 -0.22 -0.59 2.07 -0.99 -0.73 121.20 126.53 3kod s ILE 38 Ca -0.07 0.81 0.01 0.00 -1.41 0.00 0.00 60.65 59.99 3kod s ILE 38 Cb -0.10 -3.72 0.05 0.00 0.13 0.00 0.00 42.46 38.82 3kod s ILE 38 CO -0.01 0.47 -0.09 0.00 -1.91 0.00 0.00 174.94 173.40 3kod s PHE 40 N 1.34 3.05 -0.27 0.00 0.08 0.42 -1.61 117.98 120.98 3kod s PHE 40 Ca -0.04 1.07 0.02 0.00 0.12 0.00 0.00 56.93 58.10 3kod s PHE 40 Cb -0.18 -3.87 0.06 0.00 -0.57 0.00 0.00 43.02 38.47 3kod s PHE 40 CO -0.07 -0.94 -0.07 -1.17 -0.10 0.00 0.00 175.22 172.87 3kod s LEU 41 N 3.88 3.65 -0.01 -0.37 1.98 0.10 -0.34 118.68 127.56 3kod s LEU 41 Ca 0.47 -1.44 -0.16 0.00 -2.89 0.00 0.00 54.13 50.11 3kod s LEU 41 Cb -0.11 -1.59 -0.06 0.00 0.66 0.00 0.00 46.19 45.09 3kod s LEU 41 CO 0.19 -0.22 0.45 -0.83 -1.89 0.00 0.00 176.35 174.05 3kod s GLY 42 N 1.12 2.49 -0.28 7.98 0.00 0.98 -3.04 107.32 116.58 3kod s GLY 42 Ca -0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 44.72 44.42 3kod s GLY 42 CO -0.04 0.33 0.05 -0.42 0.00 0.00 0.00 173.10 173.02 3kod s ILE 43 N -0.72 3.84 0.36 0.90 1.01 -1.26 -1.58 121.20 123.76 3kod s ILE 43 Ca 0.25 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 3kod s ILE 43 Cb -0.17 -2.94 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 3kod s ILE 43 CO 0.14 0.15 1.06 -2.28 0.00 0.00 0.00 174.94 174.01 3kod s HIS 44 N 1.49 3.37 0.42 3.97 5.65 -1.26 -1.26 115.29 127.67 3kod s HIS 44 Ca 0.03 1.67 0.09 0.00 0.25 0.00 0.00 55.06 57.10 3kod s HIS 44 Cb -0.17 -3.17 0.92 0.00 -1.18 0.00 0.00 32.58 28.98 3kod s HIS 44 CO 0.01 -0.58 2.03 1.57 -0.65 0.00 0.00 174.74 177.12 3kod h LYS 45 N 2.90 0.49 -0.87 2.88 -0.00 -1.82 -1.89 116.57 118.26 3kod h LYS 45 Ca -0.48 -0.03 -0.35 0.00 -0.00 0.00 0.00 60.65 59.79 3kod h LYS 45 Cb 1.21 -0.11 -0.21 0.00 -0.00 0.00 0.00 32.23 33.12 3kod h LYS 45 CO 0.64 0.33 0.45 0.09 -0.00 0.00 0.00 179.45 180.95 3kod n ASN 46 N -4.48 4.32 -4.83 7.07 3.02 -1.26 -4.92 115.26 114.18 3kod n ASN 46 Ca 0.06 -3.37 -0.31 0.00 -0.03 0.00 0.00 54.58 50.93 3kod n ASN 46 Cb 0.17 -0.79 0.02 0.00 -0.61 0.00 0.00 39.78 38.58 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 -1.09 5.84 0.13 6.41 1.01 -0.71 -5.06 116.67 123.19 3kod s ASP 47 Ca 0.55 1.60 0.10 0.00 0.71 0.00 0.00 52.55 55.51 3kod s ASP 47 Cb 0.45 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.84 3kod s ASP 47 CO 0.12 -1.13 -0.25 0.42 0.21 0.00 0.00 175.17 174.54 3kod s THR 48 N -2.92 2.12 0.43 -1.27 -4.23 -1.26 -4.97 115.64 103.55 3kod s THR 48 Ca 0.58 -1.73 0.30 0.00 -1.18 0.00 0.00 61.69 59.67 3kod s THR 48 Cb -0.13 -1.90 0.48 0.00 1.34 0.00 0.00 72.50 72.29 3kod s THR 48 CO 0.48 0.03 1.59 -0.25 -0.54 0.00 0.00 174.62 175.93 3kod h TRP 49 N 3.87 0.56 -0.81 3.99 2.91 -2.00 2.01 115.95 126.47 3kod h TRP 49 Ca -0.49 0.03 0.04 0.00 1.13 0.00 0.00 58.89 59.60 3kod h TRP 49 Cb 1.18 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.64 3kod h TRP 49 CO 0.61 -0.29 0.51 0.93 -1.03 0.00 0.00 178.44 179.17 3kod h GLU 50 N 0.03 0.94 -0.49 2.65 4.39 -2.01 -2.26 114.58 117.84 3kod h GLU 50 Ca 0.86 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.51 3kod h GLU 50 Cb 2.69 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 31.10 3kod h GLU 50 CO -0.49 0.62 0.32 -0.44 -1.16 0.00 0.00 179.01 177.85 3kod h ASP 51 N 0.96 0.56 0.80 1.42 3.32 0.28 -2.70 116.42 121.07 3kod h ASP 51 Ca 0.34 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3kod h ASP 51 Cb 0.08 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.50 3kod h ASP 51 CO -0.14 0.41 -0.38 0.00 -1.72 0.00 0.00 179.24 177.40 3kod h ALA 52 N 1.69 -1.17 -0.97 3.45 0.00 -0.86 -3.30 119.26 118.10 3kod h ALA 52 Ca 0.18 -0.23 0.36 0.00 0.00 0.00 0.00 54.91 55.22 3kod h ALA 52 Cb -0.07 0.41 -0.18 0.00 0.00 0.00 0.00 17.79 17.96 3kod h ALA 52 CO -0.04 -1.09 0.36 1.28 0.00 0.00 0.00 179.25 179.76 3kod n LEU 53 N -5.18 0.19 -0.04 0.00 7.99 -0.95 0.14 117.00 119.15 3kod n LEU 53 Ca -0.13 1.63 -0.03 0.00 -0.01 0.00 0.00 56.01 57.47 3kod n LEU 53 Cb 0.42 -0.73 0.21 0.00 -0.11 0.00 0.00 43.42 43.21 3kod n LEU 53 CO 0.32 -1.77 0.84 0.22 -1.51 0.00 0.00 177.39 175.49 3kod h TYR 54 N 0.00 0.66 0.27 -1.77 3.20 -1.60 0.87 116.97 118.61 3kod h TYR 54 Ca 0.75 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.50 3kod h TYR 54 Cb 1.87 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.96 3kod h TYR 54 CO -0.17 0.69 -0.13 0.82 -1.64 0.00 0.00 178.16 177.73 3kod h ILE 55 N 0.57 0.55 -0.26 1.81 1.08 0.11 -2.07 117.51 119.30 3kod h ILE 55 Ca 0.10 -0.86 0.06 0.00 -0.39 0.00 0.00 64.86 63.77 3kod h ILE 55 Cb 0.51 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 3kod h ILE 55 CO 0.03 0.13 -0.09 0.40 -0.69 0.00 0.00 178.15 177.94 3kod h ILE 56 N -0.94 0.69 0.32 -0.67 2.04 -1.30 0.25 117.51 117.90 3kod h ILE 56 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3kod h ILE 56 Cb 0.50 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3kod h ILE 56 CO 0.06 0.00 -0.38 -0.09 0.00 0.00 0.00 178.15 177.74 3kod h ARG 57 N -0.03 -0.69 -0.96 2.37 2.43 -0.88 0.06 114.38 116.68 3kod h ARG 57 Ca 0.13 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.46 3kod h ARG 57 Cb 0.23 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 3kod h ARG 57 CO -0.29 -0.46 0.61 0.87 -1.51 0.00 0.00 179.97 179.19 3kod h LYS 58 N -0.72 0.91 -0.15 0.20 1.79 -0.96 0.29 116.57 117.93 3kod h LYS 58 Ca -0.04 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3kod h LYS 58 Cb 0.64 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 3kod h LYS 58 CO -0.08 0.60 0.08 0.00 -1.08 0.00 0.00 179.45 178.97 3kod h LEU 60 N 0.14 0.00 0.00 0.00 3.38 0.15 -3.35 115.31 115.63 3kod h LEU 60 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3kod h LEU 60 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kod h LEU 60 CO -0.01 0.37 -1.65 0.59 0.09 0.00 0.00 178.44 177.84 3kod n ASN 61 N -3.44 2.39 -4.61 -0.43 4.13 0.29 -3.96 115.26 109.63 3kod n ASN 61 Ca 0.00 0.00 -0.55 0.00 1.68 0.00 0.00 54.58 55.72 3kod n ASN 61 Cb 0.54 1.06 -0.07 0.00 -1.54 0.00 0.00 39.78 39.77 3kod n ASN 61 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kod n LEU 62 N -2.20 1.59 -4.47 3.41 4.77 -0.30 -4.46 117.00 115.34 3kod n LEU 62 Ca -0.11 1.12 -0.44 0.00 -0.03 0.00 0.00 56.01 56.55 3kod n LEU 62 Cb 0.63 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 3kod n LEU 62 CO 0.23 -1.01 1.14 -0.13 -1.33 0.00 0.00 177.39 176.29 3kod s ARG 63 N 1.16 3.72 0.00 3.23 0.52 -1.26 -4.19 118.95 122.14 3kod s ARG 63 Ca 0.89 -1.91 0.14 0.00 -0.52 0.00 0.00 55.73 54.33 3kod s ARG 63 Cb -1.04 -5.00 0.29 0.00 0.52 0.00 0.00 34.95 29.72 3kod s ARG 63 CO 0.53 -1.82 1.19 1.28 0.02 0.00 0.00 175.30 176.50 3kod n LEU 64 N 6.57 2.83 -4.19 2.53 4.77 -0.50 -3.67 117.00 125.35 3kod n LEU 64 Ca 0.28 -1.60 -0.29 0.00 -0.03 0.00 0.00 56.01 54.38 3kod n LEU 64 Cb 0.48 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.22 3kod n LEU 64 CO 0.55 0.65 -0.53 0.26 -1.33 0.00 0.00 177.39 176.98 3kod s TRP 65 N -1.10 2.10 0.53 -1.77 0.51 -1.01 -4.85 118.94 113.34 3kod s TRP 65 Ca 0.25 -0.66 -0.22 0.00 -2.12 0.00 0.00 56.10 53.36 3kod s TRP 65 Cb 0.15 -1.40 -0.05 0.00 -0.81 0.00 0.00 33.47 31.35 3kod s TRP 65 CO 0.20 -0.22 1.34 -0.80 -0.51 0.00 0.00 176.95 176.96 3kod s ASN 66 N 0.03 5.44 -0.73 2.95 0.01 -1.26 -1.96 114.94 119.41 3kod s ASN 66 Ca -0.06 2.73 0.04 0.00 -0.71 0.00 0.00 52.86 54.86 3kod s ASN 66 Cb -0.13 -2.63 0.20 0.00 0.41 0.00 0.00 41.25 39.10 3kod s ASN 66 CO 0.04 -1.45 0.64 -3.20 -1.51 0.00 0.00 177.10 171.62 3kod n ASN 67 N -0.87 3.53 -0.60 -1.22 5.15 -0.75 -4.88 115.26 115.61 3kod n ASN 67 Ca 0.09 -3.27 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 3kod n ASN 67 Cb 0.45 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 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 1.68 0.00 0.00 1.20 -0.08 -1.26 -1.87 116.55 116.22 3kod n ASP 68 Ca 0.23 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 3kod n ASP 68 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 3kod n ASP 68 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3kod n ASN 69 N 0.99 0.00 -4.90 1.67 5.03 -1.26 -5.08 115.26 111.70 3kod n ASN 69 Ca 0.00 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.17 3kod n ASN 69 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 3kod n ASN 69 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3kod s LYS 70 N 0.00 3.44 0.00 3.52 1.02 -0.78 -5.11 119.74 121.83 3kod s LYS 70 Ca 0.00 0.23 0.04 0.00 0.02 0.00 0.00 55.97 56.27 3kod s LYS 70 Cb 0.00 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 3kod s LYS 70 CO 0.00 -0.33 -0.14 0.95 -0.92 0.00 0.00 175.35 174.91 3kod s THR 71 N -2.84 1.07 -0.83 2.17 -4.23 -1.26 -1.81 115.64 107.91 3kod s THR 71 Ca 0.49 -0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 60.30 3kod s THR 71 Cb -0.10 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.82 3kod s THR 71 CO 0.46 0.23 0.70 0.79 -0.54 0.00 0.00 174.62 176.26 3kod n TRP 72 N 2.54 -2.58 0.00 3.99 7.02 -1.26 -4.95 117.44 122.21 3kod n TRP 72 Ca -0.15 0.96 0.00 0.00 -1.02 0.00 0.00 57.50 57.29 3kod n TRP 72 Cb 0.55 -3.70 0.00 0.00 -2.42 0.00 0.00 31.31 25.75 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 -2.20 1.34 -4.35 -0.99 2.03 -1.01 -4.85 116.55 106.51 3kod n ASP 73 Ca -0.10 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 3kod n ASP 73 Cb 0.57 0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.28 1.53 0.32 -0.67 -0.14 -0.83 -4.91 119.74 113.77 3kod s LYS 74 Ca 0.00 -1.21 0.07 0.00 -1.36 0.00 0.00 55.97 53.47 3kod s LYS 74 Cb 0.00 -1.86 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 3kod s LYS 74 CO 0.00 0.46 0.30 0.54 -0.76 0.00 0.00 175.35 175.89 3kod s ASN 75 N -1.66 5.44 0.51 2.83 2.20 -1.26 -1.40 114.94 121.60 3kod s ASN 75 Ca 0.12 -0.40 0.40 0.00 -0.94 0.00 0.00 52.86 52.04 3kod s ASN 75 Cb -0.10 -1.09 1.58 0.00 -2.00 0.00 0.00 41.25 39.64 3kod s ASN 75 CO 0.04 -0.31 1.64 -0.37 -2.94 0.00 0.00 177.10 175.16 3kod h VAL 76 N 1.23 0.13 0.38 3.54 -1.51 -1.81 -0.13 116.25 118.09 3kod h VAL 76 Ca -0.46 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 64.98 3kod h VAL 76 Cb 1.25 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3kod h VAL 76 CO 0.58 0.01 -0.18 0.11 -1.23 0.00 0.00 177.57 176.86 3kod h LYS 77 N 0.04 -0.49 -1.02 5.19 6.56 -1.87 0.29 116.57 125.27 3kod h LYS 77 Ca 0.82 0.03 0.38 0.00 -1.06 0.00 0.00 60.65 60.83 3kod h LYS 77 Cb 3.02 0.11 -0.13 0.00 -0.57 0.00 0.00 32.23 34.66 3kod h LYS 77 CO -0.16 -0.32 0.62 -0.25 -2.06 0.00 0.00 179.45 177.27 3kod n ASP 78 N -4.36 0.23 -1.47 0.86 9.92 -0.13 -0.36 116.55 121.24 3kod n ASP 78 Ca -0.06 1.28 -0.10 0.00 -0.53 0.00 0.00 54.79 55.38 3kod n ASP 78 Cb 0.20 -0.63 0.19 0.00 -0.64 0.00 0.00 41.12 40.25 3kod n ASP 78 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3kod n LEU 79 N -4.63 4.87 -3.32 0.64 4.77 -0.77 -4.95 117.00 113.60 3kod n LEU 79 Ca 0.33 -3.75 -0.08 0.00 -0.03 0.00 0.00 56.01 52.49 3kod n LEU 79 Cb 1.22 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3kod n LEU 79 CO 0.09 1.22 -0.07 0.59 -1.33 0.00 0.00 177.39 177.89 3kod n ASN 80 N -1.13 -0.30 -4.13 -1.43 4.13 0.52 -4.92 115.26 107.99 3kod n ASN 80 Ca 0.41 -0.27 -0.18 0.00 1.68 0.00 0.00 54.58 56.22 3kod n ASN 80 Cb 1.22 -0.33 0.09 0.00 -1.54 0.00 0.00 39.78 39.22 3kod n ASN 80 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3kod n TYR 81 N -1.77 -2.88 -4.32 3.10 4.01 0.10 -5.04 117.16 110.36 3kod n TYR 81 Ca -0.05 -1.49 -0.27 0.00 -0.16 0.00 0.00 57.90 55.93 3kod n TYR 81 Cb 0.13 -0.56 -0.10 0.00 -0.31 0.00 0.00 39.34 38.50 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 -4.48 1.91 -0.02 -0.72 2.02 -1.05 -4.79 118.70 111.56 3kod s GLU 82 Ca 0.53 -1.33 0.07 0.00 0.02 0.00 0.00 54.97 54.26 3kod s GLU 82 Cb -0.03 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 3kod s GLU 82 CO 0.35 0.43 -0.24 -0.51 0.02 0.00 0.00 175.26 175.30 3kod s LEU 83 N -2.74 2.05 -0.22 1.80 1.02 -0.39 -0.60 118.68 119.60 3kod s LEU 83 Ca 0.23 -0.44 0.01 0.00 0.02 0.00 0.00 54.13 53.95 3kod s LEU 83 Cb -0.09 -1.26 0.06 0.00 0.02 0.00 0.00 46.19 44.92 3kod s LEU 83 CO 0.13 0.29 -0.06 -0.22 0.02 0.00 0.00 176.35 176.52 3kod s LEU 84 N -0.54 2.42 -0.11 1.79 2.96 0.09 -1.54 118.68 123.75 3kod s LEU 84 Ca 0.08 -1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 52.78 3kod s LEU 84 Cb -0.10 -1.15 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 3kod s LEU 84 CO -0.01 -0.22 0.30 -0.63 -1.32 0.00 0.00 176.35 174.48 3kod s ILE 85 N 1.42 5.26 0.00 6.68 -1.09 0.14 -2.24 121.20 131.38 3kod s ILE 85 Ca -0.05 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 3kod s ILE 85 Cb -0.18 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.08 3kod s ILE 85 CO -0.07 0.48 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.43 3kod s VAL 86 N -0.22 0.04 -1.05 2.92 1.01 -0.63 -3.85 120.40 118.62 3kod s VAL 86 Ca 0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 3kod s VAL 86 Cb -0.14 -0.08 0.27 0.00 0.00 0.00 0.00 36.38 36.43 3kod s VAL 86 CO 0.07 -0.10 1.04 -0.55 0.00 0.00 0.00 175.10 175.55 3kod s SER 87 N -0.32 7.19 -0.61 3.32 0.15 -1.26 0.01 113.70 122.17 3kod s SER 87 Ca -0.03 -3.41 -0.28 0.00 0.70 0.00 0.00 55.95 52.93 3kod s SER 87 Cb -0.02 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.10 3kod s SER 87 CO -0.00 -0.34 1.33 -1.10 1.20 0.00 0.00 173.24 174.32 3kod s GLN 88 N -0.97 3.32 0.44 5.44 -1.52 -1.17 -4.86 119.66 120.34 3kod s GLN 88 Ca 0.28 0.23 0.25 0.00 -1.95 0.00 0.00 55.36 54.16 3kod s GLN 88 Cb -0.10 -4.11 0.50 0.00 -0.22 0.00 0.00 33.01 29.08 3kod s GLN 88 CO -0.08 -1.94 1.67 0.27 -0.25 0.00 0.00 175.29 174.96 3kod h PHE 89 N 10.47 0.00 0.00 0.91 -5.15 -1.96 -3.21 116.94 118.00 3kod h PHE 89 Ca -0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.51 3kod h PHE 89 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.24 3kod h PHE 89 CO 1.06 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 177.62 3kod n THR 90 N -3.06 0.84 0.31 0.88 -2.24 -1.26 -1.66 114.28 108.10 3kod n THR 90 Ca 0.04 0.21 0.16 0.00 -2.27 0.00 0.00 64.05 62.19 3kod n THR 90 Cb 0.49 -0.93 0.71 0.00 -2.10 0.00 0.00 70.33 68.51 3kod n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kod h LEU 91 N 0.00 0.00 -2.86 3.22 3.38 -1.97 -1.60 115.31 115.48 3kod h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kod h LEU 91 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kod h LEU 91 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3kod n PHE 92 N -2.82 0.87 -1.72 1.13 3.72 -0.66 -4.88 117.46 113.09 3kod n PHE 92 Ca 0.00 -0.52 -0.37 0.00 -0.05 0.00 0.00 57.45 56.51 3kod n PHE 92 Cb 0.23 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.02 -0.21 0.20 1.37 0.00 -0.60 -4.41 107.32 102.65 3kod s GLY 93 Ca 0.40 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 3kod s GLY 93 CO 0.26 3.89 1.37 0.21 0.00 0.00 0.00 173.10 178.83 3kod s ASN 94 N 10.74 6.80 -0.01 1.64 2.47 -0.43 -4.74 114.94 131.40 3kod s ASN 94 Ca 0.87 2.48 0.02 0.00 0.42 0.00 0.00 52.86 56.65 3kod s ASN 94 Cb -0.16 -2.61 0.03 0.00 -1.45 0.00 0.00 41.25 37.06 3kod s ASN 94 CO 0.24 -0.61 0.86 0.35 -3.72 0.00 0.00 177.10 174.22 3kod n THR 95 N 2.81 0.21 0.03 -5.21 -2.24 -1.26 -0.74 114.28 107.88 3kod n THR 95 Ca 0.07 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 3kod n THR 95 Cb 0.42 0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.58 0.00 -0.78 1.57 -1.97 -3.39 116.57 112.58 3kod h LYS 96 Ca 0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3kod h LYS 96 Cb 1.20 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3kod h LYS 96 CO 0.00 1.25 0.00 1.63 -0.57 0.00 0.00 179.45 181.76 3kod n LYS 97 N -4.00 0.00 0.00 3.15 5.02 -1.26 -4.94 118.16 116.13 3kod n LYS 97 Ca -0.11 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3kod n LYS 97 Cb 0.81 -0.55 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 3kod n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kod n GLY 98 N -0.10 5.14 1.70 0.72 0.00 -1.26 -5.02 105.19 106.36 3kod n GLY 98 Ca 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 5.08 -3.83 1.61 3.02 -1.26 -4.81 115.26 115.06 3kod n ASN 99 Ca 0.00 -2.78 -0.30 0.00 -0.03 0.00 0.00 54.58 51.47 3kod n ASN 99 Cb 0.00 -0.65 -0.15 0.00 -0.61 0.00 0.00 39.78 38.36 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 -2.48 1.03 0.53 3.52 2.20 -1.26 -5.10 119.74 118.17 3kod s LYS 100 Ca 0.48 -1.19 -0.22 0.00 -0.36 0.00 0.00 55.97 54.67 3kod s LYS 100 Cb 0.36 -2.37 -0.06 0.00 -1.51 0.00 0.00 37.83 34.25 3kod s LYS 100 CO 0.15 -0.89 1.29 -2.30 -0.36 0.00 0.00 175.35 173.24 3kod n PRO 101 N 4.70 1.65 -4.93 4.03 -0.02 -1.26 -4.92 135.00 134.25 3kod n PRO 101 Ca -0.03 0.60 -0.28 0.00 -2.02 0.00 0.00 63.50 61.78 3kod n PRO 101 Cb 0.43 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.26 3kod n PRO 101 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3kod s ASP 102 N -0.87 2.41 -0.44 2.55 1.47 0.08 -4.90 116.67 116.98 3kod s ASP 102 Ca 0.70 -0.41 0.04 0.00 1.18 0.00 0.00 52.55 54.06 3kod s ASP 102 Cb -0.44 -0.82 0.52 0.00 -0.34 0.00 0.00 42.92 41.84 3kod s ASP 102 CO 0.51 0.15 1.69 0.49 0.68 0.00 0.00 175.17 178.68 3kod n PHE 103 N 3.30 2.45 0.30 2.11 3.72 -1.26 -1.31 117.46 126.76 3kod n PHE 103 Ca -0.19 -2.19 0.19 0.00 -0.05 0.00 0.00 57.45 55.20 3kod n PHE 103 Cb 0.53 -0.85 0.82 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.50 0.00 -0.00 1.38 3.86 -1.95 -1.19 115.15 118.74 3kod h HIS 104 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3kod h HIS 104 Cb 1.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.14 3kod h HIS 104 CO 1.25 0.00 -0.08 1.28 0.86 0.00 0.00 177.93 181.24 3kod n LEU 105 N -3.04 0.23 -4.81 2.43 4.32 -1.26 -4.94 117.00 109.92 3kod n LEU 105 Ca -0.00 0.18 -0.36 0.00 -0.02 0.00 0.00 56.01 55.81 3kod n LEU 105 Cb 0.24 -0.27 -0.07 0.00 -1.62 0.00 0.00 43.42 41.70 3kod n LEU 105 CO 0.25 0.04 -0.16 0.00 -1.22 0.00 0.00 177.39 176.31 3kod s ALA 106 N -2.63 3.78 0.37 -1.18 0.00 -0.45 -3.17 121.76 118.48 3kod s ALA 106 Ca 0.25 -0.64 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 3kod s ALA 106 Cb 0.20 -2.09 -0.11 0.00 0.00 0.00 0.00 23.12 21.12 3kod s ALA 106 CO 0.50 0.40 1.34 1.17 0.00 0.00 0.00 175.76 179.17 3kod n LYS 107 N 2.67 2.23 -1.68 0.00 4.81 -0.39 -4.68 118.16 121.13 3kod n LYS 107 Ca -0.18 0.78 -0.45 0.00 -0.87 0.00 0.00 58.31 57.60 3kod n LYS 107 Cb 0.54 -2.43 -0.04 0.00 0.02 0.00 0.00 35.03 33.12 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 0.40 2.18 -0.26 1.64 0.00 -1.26 -4.70 120.64 118.64 3kod n GLU 108 Ca 0.04 0.78 0.27 0.00 0.00 0.00 0.00 57.16 58.26 3kod n GLU 108 Cb 0.38 -2.53 0.64 0.00 0.00 0.00 0.00 31.44 29.93 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 5.45 0.16 0.23 5.31 0.11 -1.97 0.37 132.00 141.65 3kod h PRO 109 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3kod h PRO 109 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kod h PRO 109 CO 0.85 0.11 -0.11 -0.91 -0.21 0.00 0.00 178.00 177.73 3kod h ASN 110 N 0.17 -0.26 -0.37 -2.05 2.35 -2.00 -1.40 115.58 112.03 3kod h ASN 110 Ca 0.51 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 3kod h ASN 110 Cb 1.69 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 40.11 3kod h ASN 110 CO -0.11 0.25 0.10 -0.33 -1.65 0.00 0.00 177.43 175.69 3kod h GLU 111 N -0.95 0.66 0.19 0.81 5.08 -1.89 -2.95 114.58 115.54 3kod h GLU 111 Ca -0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3kod h GLU 111 Cb 0.47 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3kod h GLU 111 CO 0.05 0.61 -0.47 0.00 -1.00 0.00 0.00 179.01 178.21 3kod h ALA 112 N 1.46 -0.99 -1.01 3.43 0.00 -0.32 -1.36 119.26 120.47 3kod h ALA 112 Ca 0.15 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.16 3kod h ALA 112 Cb 0.26 0.81 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 3kod h ALA 112 CO -0.00 -1.09 0.62 1.25 0.00 0.00 0.00 179.25 180.03 3kod h LEU 113 N -0.73 0.65 -0.18 0.00 5.85 -1.14 0.36 115.31 120.12 3kod h LEU 113 Ca -0.02 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kod h LEU 113 Cb 0.70 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3kod h LEU 113 CO -0.21 0.17 0.04 0.40 -0.34 0.00 0.00 178.44 178.50 3kod h ILE 114 N 0.59 1.21 -0.60 4.05 2.04 -1.31 0.15 117.51 123.65 3kod h ILE 114 Ca 0.60 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3kod h ILE 114 Cb 1.17 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3kod h ILE 114 CO -0.38 0.21 0.24 0.15 0.00 0.00 0.00 178.15 178.36 3kod h PHE 115 N 0.09 0.92 0.38 1.37 3.04 0.50 0.25 116.94 123.48 3kod h PHE 115 Ca 0.06 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 3kod h PHE 115 Cb 0.29 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 3kod h PHE 115 CO 0.01 0.74 -0.37 -0.92 -2.02 0.00 0.00 178.31 175.75 3kod h TYR 116 N 0.83 -1.02 -0.14 0.41 5.03 -0.43 -0.88 116.97 120.78 3kod h TYR 116 Ca 0.20 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.53 3kod h TYR 116 Cb 0.21 0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 3kod h TYR 116 CO 0.01 -0.49 -0.08 0.09 -1.32 0.00 0.00 178.16 176.37 3kod n ASN 117 N -4.63 -0.14 -0.34 -2.11 4.13 0.54 -0.23 115.26 112.47 3kod n ASN 117 Ca -0.09 1.01 0.23 0.00 1.68 0.00 0.00 54.58 57.41 3kod n ASN 117 Cb 0.34 -0.42 0.47 0.00 -1.54 0.00 0.00 39.78 38.63 3kod n ASN 117 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3kod h LYS 118 N 0.00 0.37 -0.48 3.52 1.57 -0.44 0.05 116.57 121.16 3kod h LYS 118 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3kod h LYS 118 Cb 0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3kod h LYS 118 CO -0.13 0.24 0.19 0.82 -0.57 0.00 0.00 179.45 180.01 3kod h ILE 119 N 0.38 1.21 -0.62 1.86 2.04 0.87 -2.40 117.51 120.84 3kod h ILE 119 Ca 0.71 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3kod h ILE 119 Cb 1.61 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 3kod h ILE 119 CO -0.55 0.24 0.25 0.40 0.00 0.00 0.00 178.15 178.49 3kod h ILE 120 N 0.63 0.78 -0.72 -0.67 1.08 -0.04 0.16 117.51 118.73 3kod h ILE 120 Ca 0.16 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 3kod h ILE 120 Cb 0.19 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 3kod h ILE 120 CO -0.01 0.08 0.45 0.44 -0.69 0.00 0.00 178.15 178.41 3kod h ASP 121 N 0.44 0.72 0.73 1.72 5.19 -1.08 -0.38 116.42 123.75 3kod h ASP 121 Ca 0.31 0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 56.51 3kod h ASP 121 Cb 0.38 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3kod h ASP 121 CO -0.30 0.49 -0.98 -0.08 -3.12 0.00 0.00 179.24 175.25 3kod h GLU 122 N 0.86 0.14 -0.64 3.56 4.57 -1.08 0.13 114.58 122.11 3kod h GLU 122 Ca 0.30 -0.19 0.09 0.00 -1.18 0.00 0.00 59.36 58.38 3kod h GLU 122 Cb 0.06 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 3kod h GLU 122 CO -0.13 1.01 0.43 0.74 -1.18 0.00 0.00 179.01 179.88 3kod h PHE 123 N 0.06 0.54 0.00 0.92 0.04 -0.16 0.13 116.94 118.46 3kod h PHE 123 Ca -0.05 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3kod h PHE 123 Cb 1.67 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.64 3kod h PHE 123 CO 0.03 0.26 -0.09 0.87 -0.60 0.00 0.00 178.31 178.78 3kod h LYS 124 N 0.51 0.00 -0.74 1.51 1.57 -0.49 -2.26 116.57 116.67 3kod h LYS 124 Ca 0.29 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.36 3kod h LYS 124 Cb 0.48 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.68 3kod h LYS 124 CO -0.09 0.08 0.43 1.63 -0.57 0.00 0.00 179.45 180.92 3kod n LYS 125 N -4.74 -0.03 -0.01 3.15 5.02 0.40 -1.79 118.16 120.16 3kod n LYS 125 Ca -0.02 0.89 -0.21 0.00 -2.02 0.00 0.00 58.31 56.95 3kod n LYS 125 Cb 0.08 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.31 3kod n LYS 125 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kod n GLN 126 N -4.35 0.74 0.00 1.97 6.02 0.43 -4.88 117.38 117.32 3kod n GLN 126 Ca 0.26 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 3kod n GLN 126 Cb 0.91 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 -3.47 0.00 -3.63 1.08 9.36 -0.74 -5.09 117.16 114.67 3kod n TYR 127 Ca -0.34 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 60.77 3kod n TYR 127 Cb 1.04 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.68 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 -0.57 0.05 2.98 2.47 -1.06 -5.03 114.94 112.77 3kod s ASN 128 Ca 0.00 1.11 0.26 0.00 0.42 0.00 0.00 52.86 54.65 3kod s ASN 128 Cb 0.00 1.12 1.07 0.00 -1.45 0.00 0.00 41.25 41.99 3kod s ASN 128 CO 0.00 -0.19 1.83 -0.90 -3.72 0.00 0.00 177.10 174.12 3kod n ASP 129 N 2.42 0.17 0.05 -4.21 3.85 -1.26 -1.61 116.55 115.97 3kod n ASP 129 Ca -0.13 0.52 0.13 0.00 -0.71 0.00 0.00 54.79 54.60 3kod n ASP 129 Cb 0.55 -0.57 0.38 0.00 -1.35 0.00 0.00 41.12 40.14 3kod n ASP 129 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3kod n ASP 130 N -1.67 0.54 -0.39 -1.12 2.03 -1.26 -3.97 116.55 110.71 3kod n ASP 130 Ca 0.06 0.33 0.13 0.00 0.52 0.00 0.00 54.79 55.83 3kod n ASP 130 Cb 0.33 -0.35 0.28 0.00 -0.72 0.00 0.00 41.12 40.66 3kod n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kod n LYS 131 N -1.93 1.15 -4.49 -0.67 4.76 -0.63 -4.87 118.16 111.48 3kod n LYS 131 Ca 0.05 -0.79 -0.33 0.00 -2.87 0.00 0.00 58.31 54.37 3kod n LYS 131 Cb 0.40 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.39 3.07 0.19 -0.18 -1.09 -1.23 -1.26 121.20 118.30 3kod s ILE 132 Ca 0.25 -0.64 0.10 0.00 -2.23 0.00 0.00 60.65 58.13 3kod s ILE 132 Cb 0.19 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 3kod s ILE 132 CO 0.49 0.50 -0.14 -0.54 -1.23 0.00 0.00 174.94 174.02 3kod s LYS 133 N 0.72 1.89 0.35 2.79 1.02 -0.59 -5.02 119.74 120.91 3kod s LYS 133 Ca -0.05 -1.37 0.05 0.00 0.02 0.00 0.00 55.97 54.62 3kod s LYS 133 Cb -0.15 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 3kod s LYS 133 CO 0.02 0.42 0.17 0.44 -0.92 0.00 0.00 175.35 175.47 3kod n ILE 134 N 0.06 0.00 -4.42 2.17 -5.35 -1.26 0.28 119.36 110.84 3kod n ILE 134 Ca -0.11 -2.18 -0.18 0.00 -0.27 0.00 0.00 62.75 60.01 3kod n ILE 134 Cb 0.56 0.87 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 3kod n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kod n GLY 135 N -0.54 3.82 3.64 3.28 0.00 -1.25 -4.75 105.19 109.38 3kod n GLY 135 Ca -0.02 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3kod n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kod s LYS 136 N -3.04 4.14 0.12 1.61 -0.14 -1.26 -4.96 119.74 116.20 3kod s LYS 136 Ca 0.01 0.87 -0.29 0.00 -1.36 0.00 0.00 55.97 55.20 3kod s LYS 136 Cb 0.00 -3.66 -0.08 0.00 -1.68 0.00 0.00 37.83 32.41 3kod s LYS 136 CO 0.01 -0.55 1.60 0.35 -0.76 0.00 0.00 175.35 176.00 3kod h PHE 137 N 7.77 -1.02 -0.07 3.18 3.57 -2.00 -3.03 116.94 125.34 3kod h PHE 137 Ca -0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3kod h PHE 137 Cb 1.09 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.27 3kod h PHE 137 CO 0.76 -0.47 0.00 0.41 -2.23 0.00 0.00 178.31 176.78 3kod n GLY 138 N -1.44 0.05 3.68 2.40 0.00 -1.26 -4.92 105.19 103.70 3kod n GLY 138 Ca -0.06 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.84 4.76 0.26 1.61 0.01 -1.15 -5.08 114.94 113.51 3kod s ASN 139 Ca 0.36 -0.52 -0.31 0.00 -0.71 0.00 0.00 52.86 51.68 3kod s ASN 139 Cb 0.20 -0.98 -0.13 0.00 0.41 0.00 0.00 41.25 40.75 3kod s ASN 139 CO 0.31 0.02 1.39 0.00 -1.51 0.00 0.00 177.10 177.31 3kod n TYR 140 N -0.76 2.20 -4.34 2.20 9.36 -1.26 -4.90 117.16 119.66 3kod n TYR 140 Ca -0.07 0.44 -0.18 0.00 3.32 0.00 0.00 57.90 61.41 3kod n TYR 140 Cb 0.58 -2.46 -0.15 0.00 -0.63 0.00 0.00 39.34 36.69 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 -0.63 0.70 -0.19 2.98 -1.94 -1.26 -4.31 119.30 114.64 3kod s MET 141 Ca 0.66 -0.31 -0.04 0.00 -1.71 0.00 0.00 55.69 54.29 3kod s MET 141 Cb -0.63 -0.67 -0.02 0.00 2.01 0.00 0.00 34.83 35.52 3kod s MET 141 CO 0.51 0.18 -0.03 1.21 -0.01 0.00 0.00 175.02 176.89 3kod s ASN 142 N -0.21 4.60 -0.22 3.03 2.47 -0.10 -4.98 114.94 119.52 3kod s ASN 142 Ca 0.03 -0.26 -0.01 0.00 0.42 0.00 0.00 52.86 53.04 3kod s ASN 142 Cb -0.03 -1.77 0.06 0.00 -1.45 0.00 0.00 41.25 38.05 3kod s ASN 142 CO -0.00 0.07 0.01 -0.63 -3.72 0.00 0.00 177.10 172.82 3kod s ILE 143 N 0.98 0.94 0.09 -5.21 1.01 -1.25 0.11 121.20 117.87 3kod s ILE 143 Ca 0.01 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 3kod s ILE 143 Cb -0.15 -1.37 -0.06 0.00 0.01 0.00 0.00 42.46 40.89 3kod s ILE 143 CO 0.01 -0.20 1.11 -1.81 0.00 0.00 0.00 174.94 174.05 3kod s ASP 144 N 1.66 7.22 -0.05 3.58 1.01 0.84 -4.89 116.67 126.04 3kod s ASP 144 Ca -0.02 1.97 0.01 0.00 0.71 0.00 0.00 52.55 55.21 3kod s ASP 144 Cb -0.18 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.19 3kod s ASP 144 CO -0.08 -0.32 -0.04 -0.69 0.21 0.00 0.00 175.17 174.24 3kod s VAL 145 N 0.52 0.56 -0.59 -1.27 1.01 -1.26 0.91 120.40 120.28 3kod s VAL 145 Ca 0.53 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 3kod s VAL 145 Cb -0.28 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.64 3kod s VAL 145 CO 0.31 0.24 0.57 -0.89 0.00 0.00 0.00 175.10 175.33 3kod s THR 146 N 1.12 5.23 -0.38 3.92 2.01 -0.10 -5.01 115.64 122.44 3kod s THR 146 Ca -0.08 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.03 3kod s THR 146 Cb -0.14 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 67.99 3kod s THR 146 CO -0.01 -0.93 1.51 0.20 -0.69 0.00 0.00 174.62 174.70 3kod s ASN 147 N 3.38 6.24 -0.41 3.53 0.01 -1.26 -1.06 114.94 125.36 3kod s ASN 147 Ca 0.06 0.97 -0.25 0.00 -0.71 0.00 0.00 52.86 52.94 3kod s ASN 147 Cb -0.26 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.88 3kod s ASN 147 CO 0.01 -1.49 0.88 -0.62 -1.51 0.00 0.00 177.10 174.38 3kod s ASP 148 N 4.44 6.56 0.00 -1.22 2.15 -0.38 -4.60 116.67 123.61 3kod s ASP 148 Ca 0.66 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.93 3kod s ASP 148 Cb -0.16 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3kod s ASP 148 CO 0.33 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 175.02 3kod n GLY 149 N 4.68 2.41 3.92 2.66 0.00 -1.26 -2.85 105.19 114.76 3kod n GLY 149 Ca 0.05 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 2.78 -0.19 1.61 0.04 -1.26 -5.16 135.00 132.81 3kod s PRO 150 Ca 0.00 -0.12 -0.03 0.00 0.04 0.00 0.00 61.00 60.89 3kod s PRO 150 Cb 0.00 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.32 3kod s PRO 150 CO 0.00 -0.77 0.03 0.08 0.04 0.00 0.00 177.00 176.38 3kod s VAL 151 N -3.00 0.52 -0.07 -0.36 1.01 -1.13 -4.99 120.40 112.38 3kod s VAL 151 Ca 0.55 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3kod s VAL 151 Cb -0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3kod s VAL 151 CO 0.44 -0.19 -0.08 -0.89 0.00 0.00 0.00 175.10 174.38 3kod s THR 152 N 1.86 3.61 -0.10 3.92 2.01 -1.26 -1.73 115.64 123.96 3kod s THR 152 Ca -0.01 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 3kod s THR 152 Cb -0.17 -2.47 0.05 0.00 0.01 0.00 0.00 72.50 69.92 3kod s THR 152 CO -0.08 0.59 0.22 -0.63 -0.69 0.00 0.00 174.62 174.04 3kod s ILE 153 N -0.76 -0.13 -0.02 1.82 -1.09 0.12 -5.00 121.20 116.14 3kod s ILE 153 Ca 0.12 0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.81 3kod s ILE 153 Cb -0.11 -0.35 -0.02 0.00 -1.58 0.00 0.00 42.46 40.40 3kod s ILE 153 CO 0.01 0.08 -0.25 -0.47 -1.23 0.00 0.00 174.94 173.08 3kod s TYR 154 N 1.54 2.28 -0.01 3.97 6.14 -1.26 -0.43 117.35 129.59 3kod s TYR 154 Ca -0.06 -0.44 0.00 0.00 0.64 0.00 0.00 57.07 57.21 3kod s TYR 154 Cb -0.11 -1.47 0.01 0.00 0.42 0.00 0.00 41.96 40.81 3kod s TYR 154 CO -0.08 -0.04 -0.00 0.42 0.64 0.00 0.00 175.55 176.49 3kod s ILE 155 N -0.59 0.05 -0.23 3.14 1.01 -1.05 -5.02 121.20 118.51 3kod s ILE 155 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3kod s ILE 155 Cb -0.10 -0.08 0.04 0.00 0.01 0.00 0.00 42.46 42.33 3kod s ILE 155 CO -0.01 0.04 -0.12 -0.62 0.00 0.00 0.00 174.94 174.23 3kod s ASP 156 N 0.26 3.99 0.14 3.58 -1.08 -1.26 -1.03 116.67 121.27 3kod s ASP 156 Ca -0.02 -1.00 0.10 0.00 -0.52 0.00 0.00 52.55 51.11 3kod s ASP 156 Cb -0.04 -1.56 0.55 0.00 -1.46 0.00 0.00 42.92 40.41 3kod s ASP 156 CO -0.01 -0.11 1.32 0.35 0.52 0.00 0.00 175.17 177.24 3kod n THR 157 N 4.57 1.52 -1.45 1.71 -2.24 -0.63 -3.38 114.28 114.37 3kod n THR 157 Ca -0.17 0.58 -0.27 0.00 -2.27 0.00 0.00 64.05 61.93 3kod n THR 157 Cb 0.46 -1.57 -0.07 0.00 -2.10 0.00 0.00 70.33 67.05 3kod n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kod n HIS 158 N -1.84 1.46 0.00 4.78 8.25 -1.26 -3.13 115.22 123.47 3kod n HIS 158 Ca -0.00 -2.08 0.00 0.00 -0.26 0.00 0.00 57.72 55.38 3kod n HIS 158 Cb 0.03 -1.60 0.00 0.00 1.12 0.00 0.00 29.99 29.54 3kod n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kod n ASP 159 N 1.61 0.00 0.00 0.41 8.00 -1.22 -5.17 116.55 120.18 3kod n ASP 159 Ca 0.52 0.00 0.14 0.00 0.71 0.00 0.00 54.79 56.16 3kod n ASP 159 Cb 0.56 0.00 0.82 0.00 -0.02 0.00 0.00 41.12 42.48 3kod n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43