#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koc s ARG 2 N 0.00 1.24 -0.02 2.12 0.52 -0.76 -0.80 118.95 121.25 3koc s ARG 2 Ca 0.00 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 3koc s ARG 2 Cb 0.00 -1.20 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 3koc s ARG 2 CO 0.00 0.33 -0.13 0.54 0.02 0.00 0.00 175.30 176.06 3koc s VAL 3 N -0.39 1.06 -0.23 3.52 0.11 -0.54 -0.54 120.40 123.38 3koc s VAL 3 Ca 0.06 -0.54 -0.10 0.00 -2.93 0.00 0.00 61.98 58.46 3koc s VAL 3 Cb -0.06 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 3koc s VAL 3 CO -0.00 0.31 0.15 -0.69 -3.33 0.00 0.00 175.10 171.53 3koc s VAL 4 N -0.11 5.29 -0.19 2.04 1.01 0.18 -2.27 120.40 126.36 3koc s VAL 4 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3koc s VAL 4 Cb -0.07 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 3koc s VAL 4 CO 0.00 0.36 -0.11 -0.63 0.00 0.00 0.00 175.10 174.73 3koc s ILE 5 N 0.98 2.94 -0.04 2.22 1.01 -0.30 -0.00 121.20 128.01 3koc s ILE 5 Ca 0.07 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.14 3koc s ILE 5 Cb -0.13 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3koc s ILE 5 CO 0.04 0.48 -0.25 -1.10 0.00 0.00 0.00 174.94 174.11 3koc s GLN 6 N 1.15 2.31 -0.13 2.79 -0.21 -0.17 -1.25 119.66 124.14 3koc s GLN 6 Ca 0.01 -0.90 -0.26 0.00 0.02 0.00 0.00 55.36 54.23 3koc s GLN 6 Cb -0.14 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 3koc s GLN 6 CO -0.03 0.50 0.84 0.50 -2.12 0.00 0.00 175.29 174.97 3koc s ARG 7 N -0.45 4.36 0.02 2.91 3.52 -0.62 -1.35 118.95 127.34 3koc s ARG 7 Ca 0.05 1.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.76 3koc s ARG 7 Cb -0.11 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3koc s ARG 7 CO 0.01 -0.23 -0.13 0.14 -0.81 0.00 0.00 175.30 174.29 3koc s VAL 8 N 1.77 0.99 -0.49 7.11 -7.23 0.33 -0.39 120.40 122.49 3koc s VAL 8 Ca 0.41 -0.81 0.23 0.00 -1.81 0.00 0.00 61.98 60.00 3koc s VAL 8 Cb -0.17 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 35.88 3koc s VAL 8 CO 0.16 0.08 1.17 0.11 -0.31 0.00 0.00 175.10 176.30 3koc h LYS 9 N 5.26 0.00 -1.19 4.82 1.57 -1.49 0.60 116.57 126.14 3koc h LYS 9 Ca -0.36 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.66 3koc h LYS 9 Cb 1.18 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.24 3koc h LYS 9 CO 0.46 0.00 0.89 0.20 -0.57 0.00 0.00 179.45 180.43 3koc s GLY 10 N -3.91 -0.06 -0.03 3.86 0.00 -0.89 -2.43 107.32 103.85 3koc s GLY 10 Ca 0.03 2.38 -0.04 0.00 0.00 0.00 0.00 44.72 47.10 3koc s GLY 10 CO 0.76 0.92 0.11 0.00 0.00 0.00 0.00 173.10 174.89 3koc s ALA 11 N -1.44 -0.26 -0.10 3.20 0.00 -0.43 -1.80 121.76 120.94 3koc s ALA 11 Ca 0.08 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3koc s ALA 11 Cb -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3koc s ALA 11 CO -0.05 -0.07 -0.15 0.42 0.00 0.00 0.00 175.76 175.90 3koc s ILE 12 N -0.13 1.46 -0.14 0.00 1.01 -0.25 -0.15 121.20 123.00 3koc s ILE 12 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3koc s ILE 12 Cb -0.02 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 3koc s ILE 12 CO 0.00 0.43 -0.17 -0.22 0.00 0.00 0.00 174.94 174.98 3koc s LEU 13 N 0.89 2.39 0.00 2.97 0.20 -0.34 0.88 118.68 125.68 3koc s LEU 13 Ca -0.09 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.28 3koc s LEU 13 Cb -0.15 -1.53 0.03 0.00 -0.43 0.00 0.00 46.19 44.11 3koc s LEU 13 CO 0.00 0.11 0.22 -1.20 -0.29 0.00 0.00 176.35 175.19 3koc n SER 14 N 3.88 2.40 0.00 3.68 7.64 0.79 -2.05 113.62 129.95 3koc n SER 14 Ca -0.19 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.32 3koc n SER 14 Cb 0.52 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3koc n SER 14 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3koc n VAL 15 N -1.27 0.00 -4.37 0.44 0.24 -1.26 -2.15 118.33 109.95 3koc n VAL 15 Ca -0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.02 3koc n VAL 15 Cb 0.44 -0.46 -0.13 0.00 -1.47 0.00 0.00 33.84 32.22 3koc n VAL 15 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3koc s LEU 27 N -4.14 2.25 -0.17 1.34 1.43 -1.26 -4.82 118.68 113.31 3koc s LEU 27 Ca 0.00 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3koc s LEU 27 Cb 0.00 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.44 3koc s LEU 27 CO 0.00 0.07 0.39 -0.70 0.23 0.00 0.00 176.35 176.34 3koc s GLU 28 N -1.64 0.34 0.24 1.70 2.12 -1.26 -5.15 118.70 115.05 3koc s GLU 28 Ca 0.05 0.83 -0.31 0.00 0.36 0.00 0.00 54.97 55.91 3koc s GLU 28 Cb -0.10 0.06 -0.14 0.00 0.26 0.00 0.00 34.13 34.22 3koc s GLU 28 CO 0.03 -0.19 1.29 -0.89 -0.54 0.00 0.00 175.26 174.96 3koc n ILE 29 N 4.64 1.20 0.00 -3.70 5.41 -1.26 -4.35 119.36 121.30 3koc n ILE 29 Ca -0.18 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.27 3koc n ILE 29 Cb 0.53 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 3koc n ILE 29 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3koc n ILE 30 N 1.40 0.00 -3.68 1.39 -5.35 -0.87 -4.99 119.36 107.26 3koc n ILE 30 Ca 0.11 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.45 3koc n ILE 30 Cb 0.31 0.07 -0.07 0.00 -1.74 0.00 0.00 39.64 38.20 3koc n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3koc s SER 31 N -0.62 -0.30 -0.27 7.28 0.01 -1.23 -5.04 113.70 113.52 3koc s SER 31 Ca 0.00 0.14 -0.23 0.00 1.31 0.00 0.00 55.95 57.17 3koc s SER 31 Cb 0.00 0.39 0.08 0.00 0.21 0.00 0.00 66.02 66.70 3koc s SER 31 CO 0.00 -0.57 0.74 -0.70 0.41 0.00 0.00 173.24 173.12 3koc s GLU 32 N -1.83 0.78 0.22 12.44 2.12 -1.26 -1.19 118.70 129.97 3koc s GLU 32 Ca -0.09 1.01 0.05 0.00 0.36 0.00 0.00 54.97 56.30 3koc s GLU 32 Cb -0.02 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.64 3koc s GLU 32 CO 0.02 -0.11 -0.06 0.96 -0.54 0.00 0.00 175.26 175.54 3koc s ILE 33 N 0.67 1.29 0.00 -3.70 -4.36 0.79 -4.97 121.20 110.91 3koc s ILE 33 Ca -0.02 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3koc s ILE 33 Cb -0.05 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.45 3koc s ILE 33 CO -0.05 -0.45 0.00 0.29 0.24 0.00 0.00 174.94 174.97 3koc n LYS 34 N -0.40 0.00 -2.18 0.37 4.76 -1.26 -1.32 118.16 118.13 3koc n LYS 34 Ca -0.07 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 3koc n LYS 34 Cb 0.63 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.79 3koc n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3koc s ASN 35 N -0.80 6.86 0.00 4.39 0.01 -1.02 -2.09 114.94 122.29 3koc s ASN 35 Ca 0.00 2.55 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 3koc s ASN 35 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.03 3koc s ASN 35 CO 0.00 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 3koc n GLY 36 N 1.47 -0.15 3.24 0.66 0.00 0.20 -1.66 105.19 108.95 3koc n GLY 36 Ca 0.02 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 3koc n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koc s LEU 37 N 0.00 2.06 -0.02 0.99 1.43 0.34 -0.52 118.68 122.96 3koc s LEU 37 Ca 0.00 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 3koc s LEU 37 Cb 0.00 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 3koc s LEU 37 CO 0.00 0.21 0.38 -0.51 0.23 0.00 0.00 176.35 176.67 3koc s ILE 38 N -0.01 5.08 -0.20 -0.59 2.07 -0.46 -0.24 121.20 126.86 3koc s ILE 38 Ca -0.08 0.77 0.00 0.00 -1.41 0.00 0.00 60.65 59.94 3koc s ILE 38 Cb -0.15 -3.68 0.05 0.00 0.13 0.00 0.00 42.46 38.81 3koc s ILE 38 CO 0.05 0.57 -0.07 0.00 -1.91 0.00 0.00 174.94 173.58 3koc s PHE 40 N 1.47 3.15 -0.11 0.00 0.08 1.00 0.11 117.98 123.67 3koc s PHE 40 Ca -0.02 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3koc s PHE 40 Cb -0.17 -3.03 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 3koc s PHE 40 CO -0.07 -0.76 -0.16 -1.17 -0.10 0.00 0.00 175.22 172.96 3koc s LEU 41 N 2.25 2.56 -0.18 -0.37 2.96 0.07 0.51 118.68 126.48 3koc s LEU 41 Ca 0.13 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3koc s LEU 41 Cb -0.17 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3koc s LEU 41 CO 0.14 0.19 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.35 3koc s GLY 42 N 0.22 1.42 0.02 7.98 0.00 0.30 0.16 107.32 117.42 3koc s GLY 42 Ca -0.10 -1.18 -0.22 0.00 0.00 0.00 0.00 44.72 43.22 3koc s GLY 42 CO 0.06 0.24 0.65 -0.42 0.00 0.00 0.00 173.10 173.63 3koc s ILE 43 N 1.22 4.84 0.19 0.90 1.01 -1.26 -1.83 121.20 126.27 3koc s ILE 43 Ca 0.03 1.36 -0.07 0.00 0.00 0.00 0.00 60.65 61.97 3koc s ILE 43 Cb -0.14 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 3koc s ILE 43 CO -0.09 0.41 0.46 -2.28 0.00 0.00 0.00 174.94 173.44 3koc s HIS 44 N -0.21 3.45 0.48 3.97 5.65 -1.26 -3.27 115.29 124.10 3koc s HIS 44 Ca 0.33 0.69 0.30 0.00 0.25 0.00 0.00 55.06 56.63 3koc s HIS 44 Cb -0.19 -2.12 1.38 0.00 -1.18 0.00 0.00 32.58 30.48 3koc s HIS 44 CO 0.19 0.35 1.78 1.57 -0.65 0.00 0.00 174.74 177.98 3koc h LYS 45 N 2.64 0.14 -0.22 2.88 -0.00 -0.96 -2.48 116.57 118.57 3koc h LYS 45 Ca -0.46 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.12 3koc h LYS 45 Cb 1.17 -0.03 -0.03 0.00 -0.00 0.00 0.00 32.23 33.33 3koc h LYS 45 CO 0.71 0.10 -0.06 0.09 -0.00 0.00 0.00 179.45 180.29 3koc n ASN 46 N -4.37 2.98 -4.72 7.07 3.02 -1.26 -4.91 115.26 113.07 3koc n ASN 46 Ca 0.26 -3.33 -0.42 0.00 -0.03 0.00 0.00 54.58 51.06 3koc n ASN 46 Cb 1.13 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 3koc n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3koc s ASP 47 N -2.40 7.14 0.28 6.41 1.01 -0.94 -5.01 116.67 123.16 3koc s ASP 47 Ca 0.41 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.70 3koc s ASP 47 Cb 0.35 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.69 3koc s ASP 47 CO 0.04 -0.39 0.00 0.35 0.21 0.00 0.00 175.17 175.38 3koc n THR 48 N 3.40 0.00 0.35 -1.27 -2.24 -1.26 -4.97 114.28 108.28 3koc n THR 48 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3koc n THR 48 Cb 0.46 -1.42 0.33 0.00 -2.10 0.00 0.00 70.33 67.60 3koc n THR 48 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3koc h TRP 49 N -0.28 0.00 -0.37 4.78 -0.00 -1.99 -3.21 115.95 114.89 3koc h TRP 49 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.80 3koc h TRP 49 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 3koc h TRP 49 CO 0.00 0.00 -0.12 0.93 -0.00 0.00 0.00 178.44 179.25 3koc h GLU 50 N 0.00 0.73 0.08 2.65 4.39 -1.98 0.11 114.58 120.56 3koc h GLU 50 Ca 0.00 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 3koc h GLU 50 Cb 0.82 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3koc h GLU 50 CO 0.00 0.89 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.27 3koc h ASP 51 N 0.52 -0.09 0.23 1.42 3.32 -1.93 0.14 116.42 120.03 3koc h ASP 51 Ca 0.09 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3koc h ASP 51 Cb 0.65 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3koc h ASP 51 CO 0.04 -0.02 -0.43 0.00 -1.72 0.00 0.00 179.24 177.11 3koc h ALA 52 N 0.77 -0.99 -0.98 3.45 0.00 -1.54 -1.40 119.26 118.56 3koc h ALA 52 Ca -0.01 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.95 3koc h ALA 52 Cb 0.12 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3koc h ALA 52 CO 0.02 -1.07 0.61 -0.07 0.00 0.00 0.00 179.25 178.75 3koc h LEU 53 N -0.71 0.76 -0.47 0.00 3.38 -0.64 0.11 115.31 117.74 3koc h LEU 53 Ca -0.02 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3koc h LEU 53 Cb 0.67 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3koc h LEU 53 CO -0.16 0.32 0.18 0.22 0.09 0.00 0.00 178.44 179.09 3koc h TYR 54 N 0.77 0.72 0.51 1.13 3.20 -0.39 0.22 116.97 123.13 3koc h TYR 54 Ca 0.53 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.32 3koc h TYR 54 Cb 0.82 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3koc h TYR 54 CO -0.00 0.62 -0.24 0.82 -1.64 0.00 0.00 178.16 177.71 3koc h ILE 55 N 0.61 0.50 0.14 1.81 1.08 0.23 -0.20 117.51 121.67 3koc h ILE 55 Ca 0.15 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.62 3koc h ILE 55 Cb 0.21 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3koc h ILE 55 CO -0.01 0.00 -0.19 0.40 -0.69 0.00 0.00 178.15 177.66 3koc h ILE 56 N -0.69 0.57 -0.67 -0.67 2.04 -0.84 -0.31 117.51 116.94 3koc h ILE 56 Ca -0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.91 3koc h ILE 56 Cb 0.53 0.57 -0.12 0.00 -0.74 0.00 0.00 36.82 37.05 3koc h ILE 56 CO 0.11 0.00 -0.33 -0.09 0.00 0.00 0.00 178.15 177.85 3koc h ARG 57 N -0.38 -0.11 -0.53 2.37 2.43 -0.48 -2.23 114.38 115.44 3koc h ARG 57 Ca 0.02 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3koc h ARG 57 Cb 0.39 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3koc h ARG 57 CO -0.09 -0.08 0.07 0.87 -1.51 0.00 0.00 179.97 179.24 3koc h LYS 58 N -0.12 0.84 -0.33 0.20 1.79 -0.39 -2.46 116.57 116.10 3koc h LYS 58 Ca 0.27 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 3koc h LYS 58 Cb 0.56 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3koc h LYS 58 CO -0.74 0.80 -0.04 0.00 -1.08 0.00 0.00 179.45 178.39 3koc n LEU 60 N -4.48 0.62 0.00 0.00 4.77 -0.91 -4.06 117.00 112.94 3koc n LEU 60 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3koc n LEU 60 Cb 0.30 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3koc n LEU 60 CO 0.40 -0.15 0.01 0.59 -1.33 0.00 0.00 177.39 176.91 3koc n ASN 61 N -2.08 0.05 -4.74 -1.43 3.02 -0.93 -3.95 115.26 105.19 3koc n ASN 61 Ca 0.06 -0.46 -0.41 0.00 -0.03 0.00 0.00 54.58 53.73 3koc n ASN 61 Cb 0.40 0.82 -0.02 0.00 -0.61 0.00 0.00 39.78 40.37 3koc n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3koc s LEU 62 N -1.64 4.36 -0.95 3.41 1.43 -0.06 -4.76 118.68 120.49 3koc s LEU 62 Ca 0.00 2.80 -0.13 0.00 -1.03 0.00 0.00 54.13 55.77 3koc s LEU 62 Cb 0.00 -3.63 0.22 0.00 0.03 0.00 0.00 46.19 42.82 3koc s LEU 62 CO 0.00 -0.82 0.95 -0.13 0.23 0.00 0.00 176.35 176.58 3koc s ARG 63 N -0.26 3.81 0.00 1.70 0.52 -1.26 -4.20 118.95 119.26 3koc s ARG 63 Ca 0.63 -2.62 0.21 0.00 -0.52 0.00 0.00 55.73 53.43 3koc s ARG 63 Cb -0.45 -4.56 0.23 0.00 0.52 0.00 0.00 34.95 30.69 3koc s ARG 63 CO 0.44 -1.36 1.22 1.28 0.02 0.00 0.00 175.30 176.90 3koc n LEU 64 N 3.98 2.91 -4.46 2.53 4.77 -0.86 -3.81 117.00 122.06 3koc n LEU 64 Ca 0.19 -1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 54.75 3koc n LEU 64 Cb 0.45 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 3koc n LEU 64 CO 0.41 0.54 -0.51 0.26 -1.33 0.00 0.00 177.39 176.76 3koc s TRP 65 N -1.65 2.41 0.62 -1.77 0.51 -1.04 -4.84 118.94 113.18 3koc s TRP 65 Ca 0.28 -0.32 -0.13 0.00 -2.12 0.00 0.00 56.10 53.81 3koc s TRP 65 Cb 0.18 -1.22 -0.03 0.00 -0.81 0.00 0.00 33.47 31.60 3koc s TRP 65 CO 0.27 0.46 1.04 -0.80 -0.51 0.00 0.00 176.95 177.41 3koc s ASN 66 N -2.55 5.94 -0.16 2.95 0.01 -1.26 -0.08 114.94 119.79 3koc s ASN 66 Ca 0.20 1.57 -0.04 0.00 -0.71 0.00 0.00 52.86 53.88 3koc s ASN 66 Cb -0.09 -2.49 0.08 0.00 0.41 0.00 0.00 41.25 39.16 3koc s ASN 66 CO 0.10 -1.06 0.28 0.21 -1.51 0.00 0.00 177.10 175.12 3koc s ASN 67 N -3.66 0.52 0.00 -1.22 3.04 0.46 -4.80 114.94 109.28 3koc s ASN 67 Ca 0.58 0.41 0.00 0.00 0.04 0.00 0.00 52.86 53.89 3koc s ASN 67 Cb -0.13 0.72 0.00 0.00 -1.54 0.00 0.00 41.25 40.30 3koc s ASN 67 CO 0.48 -0.26 0.00 -0.90 -3.04 0.00 0.00 177.10 173.38 3koc n ASP 68 N 5.35 0.00 -0.24 -4.21 5.68 -1.26 -1.32 116.55 120.54 3koc n ASP 68 Ca -0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.17 3koc n ASP 68 Cb 0.50 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.46 3koc n ASP 68 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3koc h ASN 69 N 0.00 -1.45 -4.12 -1.12 4.21 -2.05 -3.44 115.58 107.61 3koc h ASN 69 Ca 0.00 0.26 -0.55 0.00 1.21 0.00 0.00 56.30 57.22 3koc h ASN 69 Cb 0.00 0.68 0.15 0.00 -1.12 0.00 0.00 38.32 38.03 3koc h ASN 69 CO 0.00 -0.32 0.48 -0.54 -1.29 0.00 0.00 177.43 175.77 3koc s LYS 70 N -5.87 2.53 0.45 0.81 1.02 -0.44 -5.07 119.74 113.18 3koc s LYS 70 Ca -0.14 1.96 0.07 0.00 0.02 0.00 0.00 55.97 57.88 3koc s LYS 70 Cb 0.15 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.59 3koc s LYS 70 CO 0.67 -1.58 0.34 0.95 -0.92 0.00 0.00 175.35 174.82 3koc s THR 71 N -1.56 2.31 -0.86 2.17 -4.23 -1.26 -0.40 115.64 111.81 3koc s THR 71 Ca 0.80 -1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 3koc s THR 71 Cb -0.34 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 70.73 3koc s THR 71 CO 0.40 0.00 0.10 0.79 -0.54 0.00 0.00 174.62 175.37 3koc n TRP 72 N -1.54 -0.76 -0.02 3.99 7.02 -1.20 -4.73 117.44 120.21 3koc n TRP 72 Ca 0.01 0.28 -0.02 0.00 -1.02 0.00 0.00 57.50 56.75 3koc n TRP 72 Cb 0.63 -1.64 -0.04 0.00 -2.42 0.00 0.00 31.31 27.84 3koc n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3koc n ASP 73 N -1.40 3.72 -4.10 -0.99 2.03 0.88 -4.77 116.55 111.92 3koc n ASP 73 Ca -0.16 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.95 3koc n ASP 73 Cb 0.39 0.72 -0.14 0.00 -0.72 0.00 0.00 41.12 41.37 3koc n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3koc s LYS 74 N -2.16 0.88 0.28 -0.67 -0.14 -1.01 -4.96 119.74 111.96 3koc s LYS 74 Ca -0.02 -0.62 0.07 0.00 -1.36 0.00 0.00 55.97 54.03 3koc s LYS 74 Cb 0.02 -0.85 -0.03 0.00 -1.68 0.00 0.00 37.83 35.29 3koc s LYS 74 CO 0.22 0.22 0.30 0.54 -0.76 0.00 0.00 175.35 175.86 3koc s ASN 75 N -0.85 5.70 0.29 2.83 2.20 -1.26 -2.02 114.94 121.83 3koc s ASN 75 Ca 0.02 -0.24 0.04 0.00 -0.94 0.00 0.00 52.86 51.73 3koc s ASN 75 Cb -0.07 -1.36 0.74 0.00 -2.00 0.00 0.00 41.25 38.56 3koc s ASN 75 CO 0.01 -0.19 1.67 1.62 -2.94 0.00 0.00 177.10 177.27 3koc h VAL 76 N 1.26 0.40 0.47 3.54 3.04 -1.76 -0.51 116.25 122.69 3koc h VAL 76 Ca -0.48 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 3koc h VAL 76 Cb 1.24 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 3koc h VAL 76 CO 0.59 0.06 -0.22 0.11 -1.01 0.00 0.00 177.57 177.09 3koc h LYS 77 N 0.31 -0.60 -0.97 4.17 1.57 -1.87 -0.65 116.57 118.53 3koc h LYS 77 Ca 0.56 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.50 3koc h LYS 77 Cb 1.12 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 3koc h LYS 77 CO -0.58 -0.38 -0.48 -0.25 -0.57 0.00 0.00 179.45 177.18 3koc n ASP 78 N -5.35 -0.84 -0.49 0.86 8.00 -0.25 -0.76 116.55 117.73 3koc n ASP 78 Ca -0.12 1.71 0.03 0.00 0.71 0.00 0.00 54.79 57.13 3koc n ASP 78 Cb 0.27 -0.30 0.10 0.00 -0.02 0.00 0.00 41.12 41.17 3koc n ASP 78 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3koc n LEU 79 N -5.31 1.38 -4.27 0.64 4.77 -0.89 -4.90 117.00 108.42 3koc n LEU 79 Ca 0.06 -0.69 -0.34 0.00 -0.03 0.00 0.00 56.01 55.01 3koc n LEU 79 Cb 0.32 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3koc n LEU 79 CO -0.14 0.31 -0.25 0.59 -1.33 0.00 0.00 177.39 176.56 3koc n ASN 80 N 0.16 -0.92 -4.40 -1.43 4.13 0.06 -4.97 115.26 107.89 3koc n ASN 80 Ca 0.08 -1.15 -0.26 0.00 1.68 0.00 0.00 54.58 54.93 3koc n ASN 80 Cb 0.24 -2.19 0.15 0.00 -1.54 0.00 0.00 39.78 36.44 3koc n ASN 80 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3koc s TYR 81 N -3.79 1.23 0.13 3.10 2.02 -0.30 -5.04 117.35 114.69 3koc s TYR 81 Ca 0.36 -0.20 0.07 0.00 -0.37 0.00 0.00 57.07 56.92 3koc s TYR 81 Cb -0.20 -3.40 -0.04 0.00 -0.40 0.00 0.00 41.96 37.92 3koc s TYR 81 CO 0.96 -2.20 -0.06 -1.21 -1.57 0.00 0.00 175.55 171.47 3koc s GLU 82 N -5.45 2.24 -0.14 -0.62 2.02 -0.67 -4.80 118.70 111.29 3koc s GLU 82 Ca 0.71 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 54.67 3koc s GLU 82 Cb -0.03 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.87 3koc s GLU 82 CO 0.48 0.49 -0.19 -0.51 0.02 0.00 0.00 175.26 175.55 3koc s LEU 83 N -2.49 2.28 -0.31 1.80 1.02 -0.62 -0.51 118.68 119.84 3koc s LEU 83 Ca 0.24 -0.53 -0.07 0.00 0.02 0.00 0.00 54.13 53.79 3koc s LEU 83 Cb -0.10 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.63 3koc s LEU 83 CO 0.16 0.10 0.09 -0.22 0.02 0.00 0.00 176.35 176.50 3koc s LEU 84 N 0.74 4.05 -0.19 1.79 2.96 0.67 -1.10 118.68 127.60 3koc s LEU 84 Ca -0.08 -0.89 -0.08 0.00 -0.22 0.00 0.00 54.13 52.86 3koc s LEU 84 Cb -0.16 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3koc s LEU 84 CO 0.00 -0.25 0.07 -0.63 -1.32 0.00 0.00 176.35 174.22 3koc s ILE 85 N 1.46 4.84 -0.05 6.68 -1.09 -0.41 0.46 121.20 133.09 3koc s ILE 85 Ca 0.01 -0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 3koc s ILE 85 Cb -0.18 -3.19 0.01 0.00 -1.58 0.00 0.00 42.46 37.52 3koc s ILE 85 CO 0.03 0.45 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.40 3koc s VAL 86 N 0.40 0.93 -0.04 2.92 1.01 0.12 -2.77 120.40 122.97 3koc s VAL 86 Ca 0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3koc s VAL 86 Cb -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3koc s VAL 86 CO 0.00 0.30 1.32 -0.55 0.00 0.00 0.00 175.10 176.17 3koc s SER 87 N 0.58 6.93 -0.47 3.32 0.15 -1.26 -0.75 113.70 122.20 3koc s SER 87 Ca -0.11 1.96 0.03 0.00 0.70 0.00 0.00 55.95 58.52 3koc s SER 87 Cb -0.14 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.76 3koc s SER 87 CO 0.02 -0.68 0.27 -1.58 1.20 0.00 0.00 173.24 172.47 3koc s GLN 88 N 2.50 1.43 0.40 5.44 2.00 0.43 -4.82 119.66 127.04 3koc s GLN 88 Ca 0.60 -2.19 0.29 0.00 -2.00 0.00 0.00 55.36 52.06 3koc s GLN 88 Cb -0.28 -2.45 1.33 0.00 0.80 0.00 0.00 33.01 32.41 3koc s GLN 88 CO 0.24 -1.18 1.86 0.27 -0.50 0.00 0.00 175.29 175.97 3koc h PHE 89 N 6.51 0.00 0.00 1.67 -5.15 -1.95 -2.80 116.94 115.23 3koc h PHE 89 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3koc h PHE 89 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 3koc h PHE 89 CO 0.49 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 177.05 3koc n THR 90 N -2.57 0.00 0.77 0.88 -2.24 -1.26 -2.56 114.28 107.29 3koc n THR 90 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3koc n THR 90 Cb 0.18 -0.44 0.50 0.00 -2.10 0.00 0.00 70.33 68.48 3koc n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3koc n LEU 91 N -0.89 0.21 -2.25 3.22 4.77 -1.05 -1.69 117.00 119.31 3koc n LEU 91 Ca 0.17 0.53 -0.30 0.00 -0.03 0.00 0.00 56.01 56.38 3koc n LEU 91 Cb 0.08 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.74 3koc n LEU 91 CO 0.12 -0.14 0.80 0.49 -1.33 0.00 0.00 177.39 177.33 3koc n PHE 92 N -1.70 3.02 -2.31 -1.77 3.72 -1.06 -4.85 117.46 112.50 3koc n PHE 92 Ca 0.06 -2.63 -0.42 0.00 -0.05 0.00 0.00 57.45 54.41 3koc n PHE 92 Cb 0.31 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 3koc n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3koc n GLY 93 N -0.76 4.91 3.71 1.37 0.00 -0.68 -4.22 105.19 109.52 3koc n GLY 93 Ca 0.52 -2.13 -0.63 0.00 0.00 0.00 0.00 46.02 43.78 3koc n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3koc n ASN 94 N 3.20 1.60 -0.01 1.61 2.85 -1.13 -4.80 115.26 118.58 3koc n ASN 94 Ca 0.44 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 56.05 3koc n ASN 94 Cb 0.33 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 40.36 3koc n ASN 94 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3koc n THR 95 N 3.99 0.36 -0.37 -0.44 -2.24 -1.26 -3.06 114.28 111.26 3koc n THR 95 Ca 0.28 -0.36 0.30 0.00 -2.27 0.00 0.00 64.05 61.99 3koc n THR 95 Cb 0.03 0.81 0.59 0.00 -2.10 0.00 0.00 70.33 69.67 3koc n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3koc h LYS 96 N 0.00 0.22 -3.14 -0.78 1.57 -1.98 -3.35 116.57 109.11 3koc h LYS 96 Ca 0.00 -0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 3koc h LYS 96 Cb 0.83 -0.05 -0.40 0.00 0.08 0.00 0.00 32.23 32.69 3koc h LYS 96 CO 0.00 0.15 -0.77 -1.59 -0.57 0.00 0.00 179.45 176.67 3koc s LYS 97 N -5.35 0.46 0.00 3.15 -2.85 -1.26 -5.08 119.74 108.81 3koc s LYS 97 Ca -0.08 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 3koc s LYS 97 Cb 0.27 -1.57 0.00 0.00 -2.06 0.00 0.00 37.83 34.47 3koc s LYS 97 CO 0.81 -1.01 0.00 0.41 0.10 0.00 0.00 175.35 175.66 3koc n GLY 98 N 5.00 -0.38 0.12 0.59 0.00 -1.26 -4.89 105.19 104.37 3koc n GLY 98 Ca -0.03 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.43 3koc n GLY 98 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3koc h ASN 99 N 0.00 0.14 -2.64 1.61 -0.26 -1.95 -3.42 115.58 109.06 3koc h ASN 99 Ca 0.00 -0.11 -0.55 0.00 -0.56 0.00 0.00 56.30 55.09 3koc h ASN 99 Cb 0.00 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 3koc h ASN 99 CO 0.00 0.89 1.07 -0.54 -1.06 0.00 0.00 177.43 177.79 3koc s LYS 100 N -3.26 4.19 -0.46 0.81 1.02 -1.26 -4.97 119.74 115.81 3koc s LYS 100 Ca -0.02 2.15 -0.24 0.00 0.02 0.00 0.00 55.97 57.89 3koc s LYS 100 Cb 0.11 -3.95 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 3koc s LYS 100 CO 0.81 -0.83 0.83 -1.25 -0.92 0.00 0.00 175.35 173.99 3koc s PRO 101 N 3.93 3.43 0.11 -1.68 0.04 -1.26 -4.88 135.00 134.69 3koc s PRO 101 Ca 0.72 -0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 3koc s PRO 101 Cb -0.33 -3.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.21 3koc s PRO 101 CO 0.29 -1.17 1.02 0.16 0.04 0.00 0.00 177.00 177.33 3koc s ASP 102 N 2.22 7.38 -0.54 6.66 1.47 -1.17 -4.84 116.67 127.86 3koc s ASP 102 Ca 0.32 1.87 0.01 0.00 1.18 0.00 0.00 52.55 55.93 3koc s ASP 102 Cb -0.12 -2.59 0.45 0.00 -0.34 0.00 0.00 42.92 40.33 3koc s ASP 102 CO 0.23 -0.17 1.73 0.49 0.68 0.00 0.00 175.17 178.13 3koc n PHE 103 N 2.96 3.06 -0.16 2.11 3.72 -1.26 -2.85 117.46 125.04 3koc n PHE 103 Ca 0.04 -2.74 -0.02 0.00 -0.05 0.00 0.00 57.45 54.68 3koc n PHE 103 Cb 0.48 -1.05 0.06 0.00 -0.94 0.00 0.00 39.48 38.04 3koc n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3koc h HIS 104 N 2.08 -0.03 0.00 1.38 3.86 -1.92 -2.45 115.15 118.06 3koc h HIS 104 Ca 0.52 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.77 3koc h HIS 104 Cb 1.06 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.62 3koc h HIS 104 CO 1.22 -0.12 0.00 1.28 0.86 0.00 0.00 177.93 181.17 3koc n LEU 105 N -5.24 0.52 -4.71 2.43 4.77 -1.26 -4.78 117.00 108.73 3koc n LEU 105 Ca 0.06 0.70 -0.29 0.00 -0.03 0.00 0.00 56.01 56.44 3koc n LEU 105 Cb 0.28 -0.71 0.15 0.00 -2.33 0.00 0.00 43.42 40.80 3koc n LEU 105 CO 0.15 -0.77 0.66 0.00 -1.33 0.00 0.00 177.39 176.10 3koc s ALA 106 N -3.41 1.43 0.31 -1.18 0.00 -0.92 -0.57 121.76 117.41 3koc s ALA 106 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 3koc s ALA 106 Cb 0.07 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 3koc s ALA 106 CO 0.24 -2.45 0.63 0.21 0.00 0.00 0.00 175.76 174.39 3koc s LYS 107 N -4.94 3.76 -0.17 0.00 2.20 -1.20 -3.96 119.74 115.43 3koc s LYS 107 Ca 0.64 0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 3koc s LYS 107 Cb -0.18 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 3koc s LYS 107 CO 0.57 0.17 1.49 -2.00 -0.36 0.00 0.00 175.35 175.22 3koc s GLU 108 N -3.36 4.04 0.11 4.03 -6.30 -1.26 -4.69 118.70 111.28 3koc s GLU 108 Ca 0.48 1.77 -0.03 0.00 -2.50 0.00 0.00 54.97 54.68 3koc s GLU 108 Cb -0.11 -3.93 0.19 0.00 0.00 0.00 0.00 34.13 30.29 3koc s GLU 108 CO 0.26 -0.98 0.64 -2.30 0.02 0.00 0.00 175.26 172.91 3koc n PRO 109 N 7.17 -0.04 0.01 4.30 -0.02 -1.26 0.95 135.00 146.11 3koc n PRO 109 Ca 0.16 0.64 -0.03 0.00 -2.02 0.00 0.00 63.50 62.26 3koc n PRO 109 Cb 0.45 -0.96 0.21 0.00 -0.02 0.00 0.00 33.50 33.18 3koc n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3koc h ASN 110 N 0.00 0.49 0.24 2.55 2.35 -2.00 -1.54 115.58 117.67 3koc h ASN 110 Ca 0.20 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3koc h ASN 110 Cb 0.30 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3koc h ASN 110 CO -0.42 0.71 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.63 3koc h GLU 111 N 0.44 -0.31 -1.03 0.81 5.08 0.20 -3.29 114.58 116.49 3koc h GLU 111 Ca 0.07 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.72 3koc h GLU 111 Cb 0.62 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 3koc h GLU 111 CO 0.04 0.02 0.62 0.00 -1.00 0.00 0.00 179.01 178.69 3koc h ALA 112 N -0.60 1.97 -0.04 3.43 0.00 -1.15 -0.71 119.26 122.17 3koc h ALA 112 Ca -0.03 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3koc h ALA 112 Cb 0.47 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3koc h ALA 112 CO 0.05 -0.46 -0.14 1.25 0.00 0.00 0.00 179.25 179.95 3koc h LEU 113 N 0.47 -0.42 -1.22 0.00 5.85 -1.37 0.20 115.31 118.82 3koc h LEU 113 Ca 0.66 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 59.39 3koc h LEU 113 Cb 1.43 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 3koc h LEU 113 CO -0.45 -0.20 -0.26 -0.29 -0.34 0.00 0.00 178.44 176.90 3koc h ILE 114 N -0.22 0.70 -0.08 4.05 6.09 -1.22 -2.65 117.51 124.18 3koc h ILE 114 Ca 0.06 -1.14 -0.03 0.00 -1.37 0.00 0.00 64.86 62.39 3koc h ILE 114 Cb 0.30 1.73 -0.00 0.00 0.47 0.00 0.00 36.82 39.32 3koc h ILE 114 CO -0.17 0.25 -0.05 0.15 -3.07 0.00 0.00 178.15 175.27 3koc h PHE 115 N 0.00 0.20 -0.60 2.19 3.57 -0.66 -3.23 116.94 118.42 3koc h PHE 115 Ca -0.00 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.55 3koc h PHE 115 Cb 0.71 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3koc h PHE 115 CO 0.00 0.56 0.40 -0.92 -2.23 0.00 0.00 178.31 176.13 3koc h TYR 116 N -0.22 0.39 0.00 0.41 3.20 -0.30 -2.26 116.97 118.19 3koc h TYR 116 Ca 0.02 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3koc h TYR 116 Cb 0.52 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3koc h TYR 116 CO 0.07 0.18 -0.49 -0.91 -1.64 0.00 0.00 178.16 175.38 3koc h ASN 117 N 0.36 0.00 -0.14 -2.11 4.21 -1.50 -0.85 115.58 115.56 3koc h ASN 117 Ca 0.28 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.60 3koc h ASN 117 Cb 0.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 3koc h ASN 117 CO -0.07 0.49 -0.61 0.11 -1.29 0.00 0.00 177.43 176.06 3koc h LYS 118 N 0.00 0.75 -0.35 0.81 1.57 -1.46 -2.21 116.57 115.68 3koc h LYS 118 Ca -0.00 -0.51 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 3koc h LYS 118 Cb 1.17 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 3koc h LYS 118 CO 0.06 1.13 0.21 0.82 -0.57 0.00 0.00 179.45 181.10 3koc h ILE 119 N 0.56 1.04 0.00 1.86 2.04 -1.28 -0.22 117.51 121.50 3koc h ILE 119 Ca -0.00 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3koc h ILE 119 Cb 1.20 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3koc h ILE 119 CO 0.13 0.08 -0.02 0.40 0.00 0.00 0.00 178.15 178.74 3koc h ILE 120 N 0.42 0.06 0.02 -0.67 1.08 -1.18 -2.32 117.51 114.91 3koc h ILE 120 Ca 0.14 -0.41 -0.26 0.00 -0.39 0.00 0.00 64.86 63.93 3koc h ILE 120 Cb -0.00 1.39 0.02 0.00 -3.07 0.00 0.00 36.82 35.15 3koc h ILE 120 CO -0.06 0.02 -1.05 0.44 -0.69 0.00 0.00 178.15 176.81 3koc h ASP 121 N 0.00 0.80 1.13 1.72 5.19 -0.53 -3.06 116.42 121.66 3koc h ASP 121 Ca -0.00 -0.65 -0.12 0.00 -0.62 0.00 0.00 57.03 55.64 3koc h ASP 121 Cb 0.39 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3koc h ASP 121 CO 0.00 1.46 -0.56 -0.08 -3.12 0.00 0.00 179.24 176.94 3koc h GLU 122 N 0.33 0.00 0.24 3.56 4.57 -0.75 -0.65 114.58 121.88 3koc h GLU 122 Ca -0.12 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3koc h GLU 122 Cb 1.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 3koc h GLU 122 CO 0.20 0.56 -0.12 0.74 -1.18 0.00 0.00 179.01 179.21 3koc h PHE 123 N 0.00 -0.30 -0.96 0.92 0.04 -1.50 0.12 116.94 115.26 3koc h PHE 123 Ca -0.01 -0.01 0.19 0.00 2.80 0.00 0.00 57.97 60.94 3koc h PHE 123 Cb 1.27 0.10 -0.18 0.00 2.20 0.00 0.00 35.95 39.35 3koc h PHE 123 CO 0.00 -0.19 -0.26 1.63 -0.60 0.00 0.00 178.31 178.89 3koc n LYS 124 N -3.06 -0.11 0.36 1.51 5.02 -1.16 -0.13 118.16 120.59 3koc n LYS 124 Ca -0.04 1.50 -0.18 0.00 -2.02 0.00 0.00 58.31 57.57 3koc n LYS 124 Cb 0.13 -2.23 -0.09 0.00 -0.02 0.00 0.00 35.03 32.82 3koc n LYS 124 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3koc h LYS 125 N 0.00 -0.90 0.00 1.97 3.64 -1.11 -2.50 116.57 117.66 3koc h LYS 125 Ca 0.44 0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.79 3koc h LYS 125 Cb 0.68 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3koc h LYS 125 CO -0.98 -0.60 -0.44 1.96 -2.27 0.00 0.00 179.45 177.11 3koc h GLN 126 N -0.94 0.00 0.00 1.90 4.20 0.52 -3.42 115.11 117.38 3koc h GLN 126 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3koc h GLN 126 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3koc h GLN 126 CO 0.11 0.44 0.00 0.98 -0.67 0.00 0.00 178.83 179.69 3koc n TYR 127 N -3.67 0.00 -3.81 2.96 9.36 0.82 -5.08 117.16 117.75 3koc n TYR 127 Ca -0.01 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 3koc n TYR 127 Cb 0.52 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.11 3koc n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3koc s ASN 128 N -0.15 -0.15 0.60 2.98 3.84 -0.97 -4.90 114.94 116.19 3koc s ASN 128 Ca 0.00 0.31 0.31 0.00 0.21 0.00 0.00 52.86 53.68 3koc s ASN 128 Cb 0.00 0.29 1.13 0.00 -0.55 0.00 0.00 41.25 42.12 3koc s ASN 128 CO 0.00 -0.07 1.44 -0.78 -2.79 0.00 0.00 177.10 174.90 3koc h ASP 129 N 6.15 0.00 0.34 -4.21 3.58 -1.82 -1.95 116.42 118.52 3koc h ASP 129 Ca -0.28 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.84 3koc h ASP 129 Cb 1.19 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 3koc h ASP 129 CO 0.42 0.00 -1.79 -0.78 -2.88 0.00 0.00 179.24 174.20 3koc h ASP 130 N 0.00 0.23 0.10 2.28 3.58 -1.95 -3.39 116.42 117.27 3koc h ASP 130 Ca 0.51 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3koc h ASP 130 Cb 2.77 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 43.74 3koc h ASP 130 CO -0.01 1.42 -0.06 0.29 -2.88 0.00 0.00 179.24 178.01 3koc n LYS 131 N -3.29 1.20 -3.69 0.28 4.76 -0.73 -4.77 118.16 111.92 3koc n LYS 131 Ca -0.23 -0.54 -0.39 0.00 -2.87 0.00 0.00 58.31 54.28 3koc n LYS 131 Cb 1.05 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 32.63 3koc n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3koc s ILE 132 N -2.17 4.17 0.01 -0.18 -1.09 -1.25 -1.59 121.20 119.10 3koc s ILE 132 Ca 0.36 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3koc s ILE 132 Cb 0.21 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 3koc s ILE 132 CO 0.40 -0.13 0.01 -0.54 -1.23 0.00 0.00 174.94 173.45 3koc s LYS 133 N 1.49 2.80 0.50 2.79 3.01 -0.26 -5.01 119.74 125.06 3koc s LYS 133 Ca 0.01 -0.62 0.02 0.00 -1.01 0.00 0.00 55.97 54.38 3koc s LYS 133 Cb -0.19 -2.68 -0.02 0.00 -1.01 0.00 0.00 37.83 33.93 3koc s LYS 133 CO 0.04 0.62 0.04 0.96 0.51 0.00 0.00 175.35 177.52 3koc s ILE 134 N -1.13 1.34 0.40 2.17 -4.36 -1.26 -1.29 121.20 117.06 3koc s ILE 134 Ca 0.21 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 58.72 3koc s ILE 134 Cb -0.12 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.25 3koc s ILE 134 CO 0.12 0.00 0.14 -0.83 0.24 0.00 0.00 174.94 174.60 3koc s GLY 135 N -3.89 2.29 -0.81 6.27 0.00 -1.11 -4.72 107.32 105.35 3koc s GLY 135 Ca 0.13 -2.09 -0.25 0.00 0.00 0.00 0.00 44.72 42.50 3koc s GLY 135 CO 0.07 -1.92 1.29 0.54 0.00 0.00 0.00 173.10 173.08 3koc s LYS 136 N -3.85 3.29 0.33 2.90 -0.14 -1.26 -4.97 119.74 116.04 3koc s LYS 136 Ca 0.39 -0.55 -0.26 0.00 -1.36 0.00 0.00 55.97 54.19 3koc s LYS 136 Cb 0.04 -4.50 -0.13 0.00 -1.68 0.00 0.00 37.83 31.56 3koc s LYS 136 CO 0.22 -2.13 0.92 0.34 -0.76 0.00 0.00 175.35 173.93 3koc n PHE 137 N 9.05 0.90 0.00 3.18 7.35 -1.26 -2.19 117.46 134.49 3koc n PHE 137 Ca 0.10 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 3koc n PHE 137 Cb 0.49 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 38.13 3koc n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3koc n GLY 138 N 1.33 2.17 3.86 7.13 0.00 -1.26 -5.00 105.19 113.43 3koc n GLY 138 Ca 0.10 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3koc n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3koc s ASN 139 N 0.16 6.67 -0.12 1.61 0.02 -0.93 -5.03 114.94 117.32 3koc s ASN 139 Ca 0.00 1.22 -0.29 0.00 -1.02 0.00 0.00 52.86 52.76 3koc s ASN 139 Cb 0.00 -2.35 -0.03 0.00 0.02 0.00 0.00 41.25 38.89 3koc s ASN 139 CO 0.00 -0.28 1.41 -0.47 0.02 0.00 0.00 177.10 177.78 3koc s TYR 140 N -2.14 2.51 0.09 2.20 5.04 -1.26 -4.92 117.35 118.87 3koc s TYR 140 Ca 0.53 0.69 0.05 0.00 -2.44 0.00 0.00 57.07 55.90 3koc s TYR 140 Cb -0.10 -3.67 -0.04 0.00 0.35 0.00 0.00 41.96 38.50 3koc s TYR 140 CO 0.23 -2.53 -0.03 -1.64 -1.34 0.00 0.00 175.55 170.24 3koc s MET 141 N 3.72 2.42 -0.35 4.97 -1.94 -1.26 -4.42 119.30 122.45 3koc s MET 141 Ca 0.62 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.75 3koc s MET 141 Cb -0.26 -2.47 0.10 0.00 2.01 0.00 0.00 34.83 34.21 3koc s MET 141 CO 0.20 0.53 0.06 1.21 -0.01 0.00 0.00 175.02 177.02 3koc s ASN 142 N -2.25 4.80 -0.29 3.03 2.47 -0.92 -4.91 114.94 116.88 3koc s ASN 142 Ca 0.24 -2.15 -0.06 0.00 0.42 0.00 0.00 52.86 51.30 3koc s ASN 142 Cb -0.11 -1.64 0.01 0.00 -1.45 0.00 0.00 41.25 38.05 3koc s ASN 142 CO 0.17 -0.39 0.07 -0.63 -3.72 0.00 0.00 177.10 172.59 3koc s ILE 143 N 0.91 3.85 0.01 -5.21 1.01 -1.26 -0.15 121.20 120.36 3koc s ILE 143 Ca 0.11 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 3koc s ILE 143 Cb -0.19 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3koc s ILE 143 CO -0.08 0.08 0.84 -1.81 0.00 0.00 0.00 174.94 173.97 3koc s ASP 144 N 1.48 7.24 -0.12 3.58 1.01 0.25 -4.95 116.67 125.16 3koc s ASP 144 Ca 0.02 1.49 -0.03 0.00 0.71 0.00 0.00 52.55 54.74 3koc s ASP 144 Cb -0.17 -2.50 0.04 0.00 1.01 0.00 0.00 42.92 41.30 3koc s ASP 144 CO 0.02 -0.12 0.04 -0.69 0.21 0.00 0.00 175.17 174.63 3koc s VAL 145 N 0.51 0.28 -0.65 -1.27 1.01 -1.26 -1.09 120.40 117.92 3koc s VAL 145 Ca 0.43 -0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 3koc s VAL 145 Cb -0.20 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.59 3koc s VAL 145 CO 0.24 0.01 1.01 -0.89 0.00 0.00 0.00 175.10 175.46 3koc s THR 146 N 1.99 4.24 0.17 3.92 2.01 -0.74 -5.02 115.64 122.21 3koc s THR 146 Ca 0.03 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 3koc s THR 146 Cb -0.14 -4.69 -0.08 0.00 0.01 0.00 0.00 72.50 67.60 3koc s THR 146 CO -0.06 -1.46 1.15 0.20 -0.69 0.00 0.00 174.62 173.76 3koc s ASN 147 N 3.54 7.17 -1.02 3.53 0.01 -1.26 -1.64 114.94 125.27 3koc s ASN 147 Ca 0.25 2.14 -0.04 0.00 -0.71 0.00 0.00 52.86 54.51 3koc s ASN 147 Cb -0.15 -2.60 0.28 0.00 0.41 0.00 0.00 41.25 39.19 3koc s ASN 147 CO 0.13 -0.31 1.20 -0.67 -1.51 0.00 0.00 177.10 175.94 3koc n ASP 148 N 2.56 5.57 0.00 -1.22 -0.08 0.48 -4.73 116.55 119.13 3koc n ASP 148 Ca 0.04 -3.27 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 3koc n ASP 148 Cb 0.46 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.71 3koc n ASP 148 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3koc n GLY 149 N 1.80 1.69 3.86 0.27 0.00 -1.26 -3.79 105.19 107.75 3koc n GLY 149 Ca 0.25 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3koc n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3koc s PRO 150 N 0.00 2.03 -0.13 1.61 0.04 -1.26 -5.15 135.00 132.15 3koc s PRO 150 Ca 0.00 0.30 0.01 0.00 0.04 0.00 0.00 61.00 61.35 3koc s PRO 150 Cb 0.00 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.62 3koc s PRO 150 CO 0.00 -1.58 -0.16 0.08 0.04 0.00 0.00 177.00 175.38 3koc s VAL 151 N -3.41 1.59 -0.10 -0.36 1.01 -1.25 -5.01 120.40 112.86 3koc s VAL 151 Ca 0.61 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3koc s VAL 151 Cb -0.12 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.82 3koc s VAL 151 CO 0.51 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 175.08 3koc s THR 152 N 1.16 1.16 -0.07 3.92 2.01 -1.25 -1.59 115.64 120.98 3koc s THR 152 Ca -0.02 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.61 3koc s THR 152 Cb -0.14 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 3koc s THR 152 CO -0.05 0.38 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.42 3koc s ILE 153 N 1.34 2.45 -0.11 1.82 -1.09 -0.38 -4.96 121.20 120.26 3koc s ILE 153 Ca -0.01 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3koc s ILE 153 Cb -0.14 -1.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 3koc s ILE 153 CO -0.05 0.57 -0.12 -0.47 -1.23 0.00 0.00 174.94 173.64 3koc s TYR 154 N -0.18 2.82 -0.04 3.97 5.04 -1.26 -1.15 117.35 126.56 3koc s TYR 154 Ca -0.02 -0.44 0.01 0.00 -2.44 0.00 0.00 57.07 54.18 3koc s TYR 154 Cb -0.14 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.40 3koc s TYR 154 CO 0.03 -0.05 -0.03 0.42 -1.34 0.00 0.00 175.55 174.58 3koc s ILE 155 N 0.01 0.40 -0.25 3.14 1.01 -0.96 -5.02 121.20 119.53 3koc s ILE 155 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3koc s ILE 155 Cb -0.14 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 41.92 3koc s ILE 155 CO 0.04 0.20 -0.12 -0.62 0.00 0.00 0.00 174.94 174.43 3koc s ASP 156 N 1.00 4.24 0.00 3.58 -1.08 -1.26 -1.47 116.67 121.67 3koc s ASP 156 Ca -0.10 -1.28 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 3koc s ASP 156 Cb -0.14 -1.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.78 3koc s ASP 156 CO -0.01 -0.16 0.93 0.35 0.52 0.00 0.00 175.17 176.80 3koc n THR 157 N 4.46 1.72 1.28 1.71 -2.24 0.02 -2.24 114.28 118.98 3koc n THR 157 Ca -0.15 0.45 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 3koc n THR 157 Cb 0.43 -1.45 0.41 0.00 -2.10 0.00 0.00 70.33 67.63 3koc n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3koc n HIS 158 N -1.43 0.14 1.02 4.78 8.25 -1.26 -4.91 115.22 121.81 3koc n HIS 158 Ca 0.00 -0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.51 3koc n HIS 158 Cb 0.02 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.25 3koc n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73