#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kod s ARG 2 N 0.00 0.04 -0.09 2.12 0.52 -0.12 -2.81 118.95 118.62 3kod s ARG 2 Ca 0.00 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.17 3kod s ARG 2 Cb 0.00 -0.05 0.04 0.00 0.52 0.00 0.00 34.95 35.46 3kod s ARG 2 CO 0.00 0.01 0.06 0.54 0.02 0.00 0.00 175.30 175.93 3kod s VAL 3 N 0.01 -0.02 -0.30 3.52 0.11 -0.96 -0.94 120.40 121.82 3kod s VAL 3 Ca -0.00 0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 3kod s VAL 3 Cb -0.00 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3kod s VAL 3 CO -0.00 0.04 1.17 -0.69 -3.33 0.00 0.00 175.10 172.29 3kod s VAL 4 N 2.13 4.36 -0.20 2.04 1.01 -1.05 -2.51 120.40 126.18 3kod s VAL 4 Ca 0.04 1.56 -0.10 0.00 0.00 0.00 0.00 61.98 63.47 3kod s VAL 4 Cb -0.13 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 3kod s VAL 4 CO -0.05 -0.46 0.14 -0.63 0.00 0.00 0.00 175.10 174.10 3kod s ILE 5 N 3.91 5.40 -0.10 2.22 1.01 0.32 -1.68 121.20 132.28 3kod s ILE 5 Ca 0.50 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.40 3kod s ILE 5 Cb -0.14 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 3kod s ILE 5 CO 0.18 0.42 -0.21 -1.10 0.00 0.00 0.00 174.94 174.23 3kod s GLN 6 N 0.45 3.01 0.25 2.79 -0.21 -0.27 -1.17 119.66 124.51 3kod s GLN 6 Ca 0.08 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.33 3kod s GLN 6 Cb -0.11 -2.35 -0.10 0.00 1.00 0.00 0.00 33.01 31.45 3kod s GLN 6 CO -0.01 0.24 1.37 0.50 -2.12 0.00 0.00 175.29 175.27 3kod s ARG 7 N 0.20 4.33 0.10 2.91 3.52 0.01 -1.30 118.95 128.73 3kod s ARG 7 Ca -0.13 2.20 0.04 0.00 -0.13 0.00 0.00 55.73 57.70 3kod s ARG 7 Cb -0.16 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 3kod s ARG 7 CO 0.07 -0.31 -0.10 0.14 -0.81 0.00 0.00 175.30 174.29 3kod s VAL 8 N -0.18 0.94 -0.77 7.11 -7.23 0.14 -1.65 120.40 118.77 3kod s VAL 8 Ca 0.56 -1.67 0.23 0.00 -1.81 0.00 0.00 61.98 59.29 3kod s VAL 8 Cb -0.40 -1.40 -0.10 0.00 0.56 0.00 0.00 36.38 35.04 3kod s VAL 8 CO 0.43 -0.58 1.11 0.29 -0.31 0.00 0.00 175.10 176.04 3kod n LYS 9 N 0.49 0.17 0.00 4.82 5.02 0.13 -1.70 118.16 127.09 3kod n LYS 9 Ca -0.16 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3kod n LYS 9 Cb 0.58 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3kod n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kod n GLY 10 N 1.42 1.68 3.16 0.72 0.00 -1.13 -1.73 105.19 109.32 3kod n GLY 10 Ca 0.03 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.52 -0.21 4.61 0.00 0.00 -0.49 121.76 123.15 3kod s ALA 11 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 3kod s ALA 11 Cb 0.00 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.29 3kod s ALA 11 CO 0.00 -0.23 0.16 0.42 0.00 0.00 0.00 175.76 176.12 3kod s ILE 12 N -1.33 -0.20 -0.11 0.00 1.01 -0.34 -0.85 121.20 119.39 3kod s ILE 12 Ca -0.14 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 3kod s ILE 12 Cb -0.06 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3kod s ILE 12 CO 0.03 -0.33 0.50 -0.22 0.00 0.00 0.00 174.94 174.92 3kod s LEU 13 N 2.22 4.29 0.13 2.97 0.20 0.13 -2.45 118.68 126.16 3kod s LEU 13 Ca 0.05 0.86 0.03 0.00 0.69 0.00 0.00 54.13 55.77 3kod s LEU 13 Cb -0.16 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 42.82 3kod s LEU 13 CO -0.16 -0.00 -0.09 -0.44 -0.29 0.00 0.00 176.35 175.37 3kod s SER 14 N 0.58 1.51 0.14 3.68 0.01 -0.89 -0.31 113.70 118.43 3kod s SER 14 Ca 0.27 -1.00 -0.00 0.00 1.31 0.00 0.00 55.95 56.53 3kod s SER 14 Cb -0.15 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3kod s SER 14 CO 0.11 -0.39 0.03 0.68 0.41 0.00 0.00 173.24 174.09 3kod s VAL 15 N -3.43 0.29 0.22 3.43 -7.23 0.09 -1.90 120.40 111.88 3kod s VAL 15 Ca 0.14 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 3kod s VAL 15 Cb 0.04 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 3kod s VAL 15 CO -0.02 -0.49 1.38 -0.13 -0.31 0.00 0.00 175.10 175.53 3kod s ARG 16 N -4.00 4.33 -0.09 4.82 0.52 -1.26 0.39 118.95 123.65 3kod s ARG 16 Ca 0.23 2.18 -0.14 0.00 -0.52 0.00 0.00 55.73 57.47 3kod s ARG 16 Cb 0.07 -3.16 -0.11 0.00 0.52 0.00 0.00 34.95 32.27 3kod s ARG 16 CO 0.02 -0.35 0.50 1.57 0.02 0.00 0.00 175.30 177.06 3kod h LYS 17 N 5.34 -0.12 -2.37 3.54 5.09 -2.00 -3.45 116.57 122.60 3kod h LYS 17 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.30 3kod h LYS 17 Cb 1.22 0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.57 3kod h LYS 17 CO 0.78 0.25 -0.20 -1.91 -2.09 0.00 0.00 179.45 176.29 3kod n GLU 26 N -4.82 -0.86 -4.64 0.07 2.13 -1.26 -5.09 120.64 106.17 3kod n GLU 26 Ca -0.05 0.66 -0.28 0.00 0.66 0.00 0.00 57.16 58.15 3kod n GLU 26 Cb 0.21 -1.21 -0.17 0.00 0.27 0.00 0.00 31.44 30.54 3kod n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3kod s LEU 27 N -4.04 1.76 -0.20 4.31 1.43 -1.26 -5.00 118.68 115.68 3kod s LEU 27 Ca 0.00 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 3kod s LEU 27 Cb 0.00 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 3kod s LEU 27 CO 0.00 0.05 0.06 -0.70 0.23 0.00 0.00 176.35 175.98 3kod s GLU 28 N 0.76 3.83 0.10 1.70 2.12 0.16 -4.85 118.70 122.53 3kod s GLU 28 Ca -0.12 -0.41 -0.31 0.00 0.36 0.00 0.00 54.97 54.50 3kod s GLU 28 Cb -0.16 -3.23 -0.08 0.00 0.26 0.00 0.00 34.13 30.92 3kod s GLU 28 CO 0.02 0.10 1.53 0.42 -0.54 0.00 0.00 175.26 176.79 3kod s ILE 29 N 0.82 3.04 0.00 -3.70 1.01 -1.26 -0.73 121.20 120.38 3kod s ILE 29 Ca 0.03 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3kod s ILE 29 Cb -0.14 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.91 3kod s ILE 29 CO 0.02 0.03 0.80 2.30 0.00 0.00 0.00 174.94 178.09 3kod n ILE 30 N 4.27 0.60 -3.64 2.92 -5.35 0.58 -4.93 119.36 113.81 3kod n ILE 30 Ca 0.14 -0.60 -0.04 0.00 -0.27 0.00 0.00 62.75 61.97 3kod n ILE 30 Cb 0.41 0.71 -0.06 0.00 -1.74 0.00 0.00 39.64 38.95 3kod n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3kod s SER 31 N -0.60 -0.14 -0.13 7.28 0.15 -1.01 -4.96 113.70 114.28 3kod s SER 31 Ca 0.00 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 3kod s SER 31 Cb 0.00 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.56 3kod s SER 31 CO 0.00 -0.08 0.35 -1.61 1.20 0.00 0.00 173.24 173.10 3kod s GLU 32 N -0.40 0.40 0.02 5.44 2.02 -1.26 -0.70 118.70 124.23 3kod s GLU 32 Ca 0.06 0.50 0.03 0.00 0.02 0.00 0.00 54.97 55.58 3kod s GLU 32 Cb -0.03 0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.37 3kod s GLU 32 CO -0.10 -0.06 -0.08 0.96 0.02 0.00 0.00 175.26 176.00 3kod s ILE 33 N 0.26 0.61 0.00 -1.63 -4.36 -0.03 -4.97 121.20 111.09 3kod s ILE 33 Ca -0.01 -0.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 3kod s ILE 33 Cb -0.03 -0.59 0.00 0.00 1.25 0.00 0.00 42.46 43.10 3kod s ILE 33 CO -0.00 -0.08 0.00 0.29 0.24 0.00 0.00 174.94 175.39 3kod n LYS 34 N 2.21 0.88 -1.75 0.37 4.76 -1.26 -0.82 118.16 122.56 3kod n LYS 34 Ca -0.17 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.85 3kod n LYS 34 Cb 0.56 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.75 3kod n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kod n ASN 35 N 0.00 3.53 0.00 4.39 3.02 -0.70 -2.82 115.26 122.68 3kod n ASN 35 Ca 0.00 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 3kod n ASN 35 Cb 0.00 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 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 0.85 -0.26 3.47 7.41 0.00 -0.69 -2.66 105.19 113.32 3kod n GLY 36 Ca 0.04 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3kod n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kod s LEU 37 N 0.00 2.65 -0.19 0.99 1.43 -0.87 0.27 118.68 122.97 3kod s LEU 37 Ca 0.00 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3kod s LEU 37 Cb 0.00 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.70 3kod s LEU 37 CO 0.00 0.22 -0.14 -0.51 0.23 0.00 0.00 176.35 176.15 3kod s ILE 38 N -1.02 2.56 -0.71 -0.59 2.07 -0.42 -1.70 121.20 121.39 3kod s ILE 38 Ca 0.16 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.65 3kod s ILE 38 Cb -0.11 -2.11 0.35 0.00 0.13 0.00 0.00 42.46 40.72 3kod s ILE 38 CO 0.07 0.50 1.31 0.00 -1.91 0.00 0.00 174.94 174.91 3kod n PHE 40 N -0.25 1.02 -4.47 0.00 3.72 -0.67 -4.35 117.46 112.46 3kod n PHE 40 Ca 0.39 0.67 -0.34 0.00 -0.05 0.00 0.00 57.45 58.11 3kod n PHE 40 Cb 0.38 -1.82 -0.10 0.00 -0.94 0.00 0.00 39.48 36.99 3kod n PHE 40 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3kod s LEU 41 N 4.33 3.39 -0.15 4.37 2.96 0.74 -2.52 118.68 131.81 3kod s LEU 41 Ca 0.94 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3kod s LEU 41 Cb -1.20 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 43.76 3kod s LEU 41 CO 0.55 0.34 -0.09 -0.83 -1.32 0.00 0.00 176.35 175.01 3kod s GLY 42 N -0.68 0.98 0.02 7.98 0.00 -0.12 0.36 107.32 115.86 3kod s GLY 42 Ca 0.11 -0.78 -0.18 0.00 0.00 0.00 0.00 44.72 43.86 3kod s GLY 42 CO 0.02 0.77 0.53 -0.42 0.00 0.00 0.00 173.10 174.00 3kod s ILE 43 N 1.60 4.89 0.31 0.90 1.01 -1.26 -0.94 121.20 127.71 3kod s ILE 43 Ca 0.03 1.12 -0.11 0.00 0.00 0.00 0.00 60.65 61.68 3kod s ILE 43 Cb -0.14 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3kod s ILE 43 CO -0.09 0.50 0.67 -2.28 0.00 0.00 0.00 174.94 173.75 3kod s HIS 44 N -0.70 3.42 0.27 3.97 2.46 -1.26 -3.06 115.29 120.38 3kod s HIS 44 Ca 0.28 1.02 -0.06 0.00 0.47 0.00 0.00 55.06 56.77 3kod s HIS 44 Cb -0.18 -2.39 0.50 0.00 -0.13 0.00 0.00 32.58 30.38 3kod s HIS 44 CO 0.16 0.11 1.58 1.57 -2.47 0.00 0.00 174.74 175.70 3kod h LYS 45 N 2.07 0.02 -0.47 2.88 -0.00 -0.70 -2.13 116.57 118.24 3kod h LYS 45 Ca -0.47 -0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.03 3kod h LYS 45 Cb 1.18 -0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 33.31 3kod h LYS 45 CO 0.66 0.01 0.09 0.09 -0.00 0.00 0.00 179.45 180.30 3kod n ASN 46 N -5.52 3.69 -4.75 7.07 3.02 -1.26 -4.72 115.26 112.79 3kod n ASN 46 Ca 0.16 -3.35 -0.41 0.00 -0.03 0.00 0.00 54.58 50.95 3kod n ASN 46 Cb 0.54 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.85 6.45 0.27 6.41 1.01 -0.80 -5.01 116.67 123.15 3kod s ASP 47 Ca 0.47 2.87 0.12 0.00 0.71 0.00 0.00 52.55 56.72 3kod s ASP 47 Cb 0.40 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 3kod s ASP 47 CO 0.07 -0.85 -0.18 0.42 0.21 0.00 0.00 175.17 174.84 3kod s THR 48 N -0.00 2.58 0.36 -1.27 -4.23 -1.26 -4.99 115.64 106.83 3kod s THR 48 Ca 0.62 -2.30 0.13 0.00 -1.18 0.00 0.00 61.69 58.96 3kod s THR 48 Cb -0.46 -2.34 0.35 0.00 1.34 0.00 0.00 72.50 71.38 3kod s THR 48 CO 0.47 -0.36 1.78 -0.25 -0.54 0.00 0.00 174.62 175.71 3kod h TRP 49 N 2.34 0.82 -0.65 3.99 -0.00 -2.00 0.64 115.95 121.08 3kod h TRP 49 Ca -0.41 0.03 0.10 0.00 -0.00 0.00 0.00 58.89 58.60 3kod h TRP 49 Cb 1.25 -0.24 -0.11 0.00 -0.00 0.00 0.00 29.16 30.06 3kod h TRP 49 CO 0.78 0.12 -0.42 0.93 -0.00 0.00 0.00 178.44 179.85 3kod h GLU 50 N 0.53 -0.17 0.00 2.65 4.39 -2.00 -1.25 114.58 118.73 3kod h GLU 50 Ca 0.58 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.30 3kod h GLU 50 Cb 1.25 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3kod h GLU 50 CO -0.34 -0.11 0.00 -0.25 -1.16 0.00 0.00 179.01 177.15 3kod n ASP 51 N -5.41 0.00 -0.29 1.42 8.00 0.21 -2.36 116.55 118.11 3kod n ASP 51 Ca 0.03 0.81 0.12 0.00 0.71 0.00 0.00 54.79 56.46 3kod n ASP 51 Cb 0.35 -0.31 0.27 0.00 -0.02 0.00 0.00 41.12 41.41 3kod n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kod h ALA 52 N -1.41 1.25 -1.03 2.24 0.00 -1.39 0.30 119.26 119.22 3kod h ALA 52 Ca 0.00 0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.36 3kod h ALA 52 Cb 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 3kod h ALA 52 CO 0.00 -0.41 0.64 -0.07 0.00 0.00 0.00 179.25 179.41 3kod h LEU 53 N 0.26 0.54 0.14 0.00 3.38 -0.86 -1.00 115.31 117.78 3kod h LEU 53 Ca 0.53 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.59 3kod h LEU 53 Cb 1.02 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3kod h LEU 53 CO -0.60 0.10 -0.07 0.22 0.09 0.00 0.00 178.44 178.19 3kod h TYR 54 N 0.48 -0.17 -0.31 1.13 3.20 -0.28 -1.51 116.97 119.50 3kod h TYR 54 Ca 0.61 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.51 3kod h TYR 54 Cb 1.38 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 39.64 3kod h TYR 54 CO -0.00 0.28 -0.48 0.82 -1.64 0.00 0.00 178.16 177.13 3kod h ILE 55 N -0.73 0.00 -0.98 1.81 1.08 -1.29 0.60 117.51 118.00 3kod h ILE 55 Ca -0.02 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.73 3kod h ILE 55 Cb 0.53 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.14 3kod h ILE 55 CO 0.03 0.00 0.52 0.40 -0.69 0.00 0.00 178.15 178.41 3kod h ILE 56 N -0.38 0.38 0.12 -0.67 2.04 -1.23 0.84 117.51 118.61 3kod h ILE 56 Ca 0.06 -0.13 -0.27 0.00 1.00 0.00 0.00 64.86 65.51 3kod h ILE 56 Cb 0.53 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3kod h ILE 56 CO -0.49 0.07 -1.23 0.03 0.00 0.00 0.00 178.15 176.53 3kod h ARG 57 N 0.39 0.25 0.38 2.37 3.08 0.72 -2.88 114.38 118.68 3kod h ARG 57 Ca 0.67 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3kod h ARG 57 Cb 1.42 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.64 3kod h ARG 57 CO -0.57 1.20 -0.18 0.87 -1.07 0.00 0.00 179.97 180.22 3kod h LYS 58 N 0.07 -0.49 -0.19 0.04 1.79 0.12 -2.80 116.57 115.11 3kod h LYS 58 Ca -0.13 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 3kod h LYS 58 Cb 1.96 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 32.66 3kod h LYS 58 CO 0.20 -0.28 -0.46 0.00 -1.08 0.00 0.00 179.45 177.83 3kod h LEU 60 N -0.43 0.00 -0.91 0.00 3.38 -1.61 -3.28 115.31 112.46 3kod h LEU 60 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kod h LEU 60 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kod h LEU 60 CO -0.41 0.10 -0.09 0.59 0.09 0.00 0.00 178.44 178.72 3kod n ASN 61 N -3.88 1.24 -4.67 -0.43 3.02 -0.98 -3.62 115.26 105.95 3kod n ASN 61 Ca -0.02 -1.12 -0.43 0.00 -0.03 0.00 0.00 54.58 52.98 3kod n ASN 61 Cb 0.20 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 3kod n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kod s LEU 62 N -1.13 4.23 -0.78 3.41 1.43 0.16 -4.75 118.68 121.25 3kod s LEU 62 Ca 0.07 1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 3kod s LEU 62 Cb 0.06 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.77 3kod s LEU 62 CO 0.15 -0.76 1.33 -0.13 0.23 0.00 0.00 176.35 177.17 3kod s ARG 63 N 3.28 3.24 0.00 1.70 0.52 -1.26 -3.59 118.95 122.84 3kod s ARG 63 Ca 0.59 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 3kod s ARG 63 Cb -0.25 -4.39 0.02 0.00 0.52 0.00 0.00 34.95 30.85 3kod s ARG 63 CO 0.19 -2.18 0.59 1.28 0.02 0.00 0.00 175.30 175.20 3kod n LEU 64 N 9.41 1.23 -4.65 2.53 4.77 0.30 -4.05 117.00 126.54 3kod n LEU 64 Ca 0.09 -1.06 -0.31 0.00 -0.03 0.00 0.00 56.01 54.70 3kod n LEU 64 Cb 0.49 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 3kod n LEU 64 CO 0.70 0.29 -0.36 0.26 -1.33 0.00 0.00 177.39 176.95 3kod s TRP 65 N -0.22 2.93 1.34 -1.77 0.51 -1.14 -4.69 118.94 115.90 3kod s TRP 65 Ca 0.03 -0.04 -0.18 0.00 -2.12 0.00 0.00 56.10 53.78 3kod s TRP 65 Cb 0.02 -1.54 0.34 0.00 -0.81 0.00 0.00 33.47 31.48 3kod s TRP 65 CO 0.03 0.45 0.95 -0.80 -0.51 0.00 0.00 176.95 177.07 3kod s ASN 66 N -2.08 -0.42 -0.28 2.95 0.01 -1.26 -0.83 114.94 113.03 3kod s ASN 66 Ca 0.23 1.19 -0.01 0.00 -0.71 0.00 0.00 52.86 53.55 3kod s ASN 66 Cb -0.11 -1.78 0.13 0.00 0.41 0.00 0.00 41.25 39.89 3kod s ASN 66 CO 0.15 -5.02 0.27 0.21 -1.51 0.00 0.00 177.10 171.20 3kod s ASN 67 N -2.73 1.85 0.62 -1.22 3.04 0.30 -4.46 114.94 112.35 3kod s ASN 67 Ca 0.69 -0.73 0.00 0.00 0.04 0.00 0.00 52.86 52.86 3kod s ASN 67 Cb -0.20 0.39 0.00 0.00 -1.54 0.00 0.00 41.25 39.91 3kod s ASN 67 CO 0.62 -0.39 0.00 0.47 -3.04 0.00 0.00 177.10 174.76 3kod n ASP 68 N 5.31 0.00 -0.04 -4.21 10.43 -1.26 -0.71 116.55 126.07 3kod n ASP 68 Ca -0.03 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.38 3kod n ASP 68 Cb 0.46 0.00 0.42 0.00 1.84 0.00 0.00 41.12 43.84 3kod n ASP 68 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3kod h ASN 69 N 0.00 0.49 -2.81 -2.24 2.35 -2.03 -3.43 115.58 107.91 3kod h ASN 69 Ca 0.00 -0.01 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 3kod h ASN 69 Cb 0.00 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.18 3kod h ASN 69 CO 0.00 0.35 1.04 -0.54 -1.65 0.00 0.00 177.43 176.63 3kod s LYS 70 N -5.51 3.34 0.69 0.81 -0.14 0.12 -4.99 119.74 114.06 3kod s LYS 70 Ca -0.08 0.15 -0.12 0.00 -1.36 0.00 0.00 55.97 54.55 3kod s LYS 70 Cb 0.18 -4.10 0.01 0.00 -1.68 0.00 0.00 37.83 32.24 3kod s LYS 70 CO 0.74 -1.92 1.08 0.95 -0.76 0.00 0.00 175.35 175.44 3kod s THR 71 N 5.56 3.59 -0.39 2.17 -4.23 -1.26 0.11 115.64 121.19 3kod s THR 71 Ca 0.43 0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 61.44 3kod s THR 71 Cb -0.08 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.60 3kod s THR 71 CO 0.22 -0.59 0.37 0.79 -0.54 0.00 0.00 174.62 174.87 3kod n TRP 72 N -2.91 -1.37 0.00 3.99 7.02 -1.25 -4.83 117.44 118.09 3kod n TRP 72 Ca 0.09 0.57 0.00 0.00 -1.02 0.00 0.00 57.50 57.14 3kod n TRP 72 Cb 0.53 -1.36 0.00 0.00 -2.42 0.00 0.00 31.31 28.06 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 -0.64 3.18 -4.66 -0.99 2.03 -0.01 -4.86 116.55 110.60 3kod n ASP 73 Ca -0.13 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.87 3kod n ASP 73 Cb 0.41 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.89 2.54 0.43 -0.67 -0.14 -0.87 -4.84 119.74 114.30 3kod s LYS 74 Ca 0.00 -0.80 0.01 0.00 -1.36 0.00 0.00 55.97 53.82 3kod s LYS 74 Cb 0.00 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 3kod s LYS 74 CO 0.00 0.56 0.64 0.54 -0.76 0.00 0.00 175.35 176.34 3kod s ASN 75 N -2.00 5.88 0.20 2.83 2.20 -1.26 -0.54 114.94 122.25 3kod s ASN 75 Ca 0.23 0.25 -0.17 0.00 -0.94 0.00 0.00 52.86 52.23 3kod s ASN 75 Cb -0.11 -1.54 0.18 0.00 -2.00 0.00 0.00 41.25 37.78 3kod s ASN 75 CO 0.14 -0.65 1.61 1.62 -2.94 0.00 0.00 177.10 176.89 3kod h VAL 76 N 0.47 0.31 -0.62 3.54 3.04 -1.69 -0.93 116.25 120.37 3kod h VAL 76 Ca -0.46 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.35 3kod h VAL 76 Cb 1.25 0.31 -0.09 0.00 -2.01 0.00 0.00 31.29 30.74 3kod h VAL 76 CO 0.57 0.00 0.09 0.11 -1.01 0.00 0.00 177.57 177.33 3kod h LYS 77 N -0.08 0.20 -0.13 4.17 6.56 -1.87 -2.23 116.57 123.19 3kod h LYS 77 Ca 0.26 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.88 3kod h LYS 77 Cb 0.49 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 3kod h LYS 77 CO -0.63 0.13 0.48 -0.44 -2.06 0.00 0.00 179.45 176.93 3kod h ASP 78 N 0.21 0.00 -0.17 0.86 3.32 -1.49 0.48 116.42 119.63 3kod h ASP 78 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3kod h ASP 78 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kod h ASP 78 CO -0.46 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.24 3kod n LEU 79 N -3.02 2.37 -3.56 1.55 4.77 -0.85 -4.99 117.00 113.27 3kod n LEU 79 Ca 0.01 -1.82 -0.26 0.00 -0.03 0.00 0.00 56.01 53.92 3kod n LEU 79 Cb 0.56 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3kod n LEU 79 CO 0.15 0.58 -0.03 0.59 -1.33 0.00 0.00 177.39 177.35 3kod n ASN 80 N 0.15 -5.76 -4.73 -1.43 3.02 0.16 -5.01 115.26 101.66 3kod n ASN 80 Ca 0.06 -0.87 -0.23 0.00 -0.03 0.00 0.00 54.58 53.51 3kod n ASN 80 Cb 0.32 -3.71 -0.06 0.00 -0.61 0.00 0.00 39.78 35.71 3kod n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kod s TYR 81 N -3.37 2.69 0.24 3.10 2.02 -1.19 -5.07 117.35 115.78 3kod s TYR 81 Ca 0.39 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 3kod s TYR 81 Cb -0.12 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3kod s TYR 81 CO 0.84 0.33 0.41 -1.21 -1.57 0.00 0.00 175.55 174.35 3kod s GLU 82 N -3.84 3.48 -0.08 -0.62 2.02 -1.09 -4.80 118.70 113.78 3kod s GLU 82 Ca 0.38 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.93 3kod s GLU 82 Cb -0.02 -2.82 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 3kod s GLU 82 CO 0.22 0.36 -0.22 -0.51 0.02 0.00 0.00 175.26 175.14 3kod s LEU 83 N -3.73 2.00 -0.26 1.80 1.02 -0.71 -2.04 118.68 116.75 3kod s LEU 83 Ca 0.37 -0.49 -0.15 0.00 0.02 0.00 0.00 54.13 53.88 3kod s LEU 83 Cb -0.10 -1.26 -0.04 0.00 0.02 0.00 0.00 46.19 44.81 3kod s LEU 83 CO 0.31 0.16 0.40 -0.22 0.02 0.00 0.00 176.35 177.01 3kod s LEU 84 N 0.23 4.05 -0.21 1.79 2.96 -0.69 -0.91 118.68 125.90 3kod s LEU 84 Ca -0.13 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 3kod s LEU 84 Cb -0.16 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 3kod s LEU 84 CO 0.06 -0.19 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.26 3kod s ILE 85 N 2.02 3.72 0.14 6.68 -1.09 0.14 -1.77 121.20 131.04 3kod s ILE 85 Ca 0.16 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.27 3kod s ILE 85 Cb -0.16 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 3kod s ILE 85 CO 0.10 0.42 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.38 3kod s VAL 86 N 1.26 1.49 -0.43 2.92 1.01 -1.26 -3.88 120.40 121.50 3kod s VAL 86 Ca 0.03 -1.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.04 3kod s VAL 86 Cb -0.15 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.62 3kod s VAL 86 CO 0.00 -0.39 0.52 -0.55 0.00 0.00 0.00 175.10 174.69 3kod s SER 87 N -2.53 6.24 -0.54 3.32 0.15 -1.26 -0.19 113.70 118.89 3kod s SER 87 Ca 0.11 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.22 3kod s SER 87 Cb -0.05 -2.26 0.14 0.00 -1.71 0.00 0.00 66.02 62.14 3kod s SER 87 CO 0.04 -0.68 0.32 -1.58 1.20 0.00 0.00 173.24 172.54 3kod s GLN 88 N 2.41 1.92 0.41 5.44 2.00 1.11 -4.83 119.66 128.12 3kod s GLN 88 Ca 0.16 -2.66 0.29 0.00 -2.00 0.00 0.00 55.36 51.15 3kod s GLN 88 Cb -0.16 -3.08 1.21 0.00 0.80 0.00 0.00 33.01 31.77 3kod s GLN 88 CO 0.15 -1.17 1.86 0.27 -0.50 0.00 0.00 175.29 175.90 3kod h PHE 89 N 6.24 0.00 0.00 1.67 -5.15 -1.96 -2.85 116.94 114.90 3kod h PHE 89 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3kod h PHE 89 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.04 3kod h PHE 89 CO 0.54 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 177.10 3kod n THR 90 N -2.67 0.00 0.17 0.88 -2.24 -1.26 -3.00 114.28 106.16 3kod n THR 90 Ca 0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.81 3kod n THR 90 Cb 0.26 -0.52 0.34 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.05 -6.55 3.22 3.38 -1.88 -1.70 115.31 111.83 3kod h LEU 91 Ca 0.00 -0.02 -0.78 0.00 0.09 0.00 0.00 57.88 57.17 3kod h LEU 91 Cb 0.02 -0.01 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 3kod h LEU 91 CO 0.00 0.41 1.50 0.49 0.09 0.00 0.00 178.44 180.93 3kod n PHE 92 N -4.09 2.59 -3.28 1.13 3.72 -1.16 -4.90 117.46 111.46 3kod n PHE 92 Ca -0.02 -2.68 -0.46 0.00 -0.05 0.00 0.00 57.45 54.24 3kod n PHE 92 Cb 0.41 -1.61 -0.03 0.00 -0.94 0.00 0.00 39.48 37.31 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 -0.42 2.39 -0.38 1.37 0.00 -0.64 -4.37 107.32 105.26 3kod s GLY 93 Ca 0.37 -2.98 -0.28 0.00 0.00 0.00 0.00 44.72 41.83 3kod s GLY 93 CO 0.03 1.32 1.86 0.21 0.00 0.00 0.00 173.10 176.52 3kod s ASN 94 N 2.78 5.69 -0.01 1.64 2.47 0.56 -4.76 114.94 123.31 3kod s ASN 94 Ca 0.14 1.14 0.01 0.00 0.42 0.00 0.00 52.86 54.57 3kod s ASN 94 Cb -0.16 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.13 3kod s ASN 94 CO -0.04 -1.90 0.77 0.35 -3.72 0.00 0.00 177.10 172.55 3kod n THR 95 N 7.42 0.51 -0.06 -5.21 -2.24 -1.26 -1.03 114.28 112.41 3kod n THR 95 Ca 0.23 -0.53 -0.08 0.00 -2.27 0.00 0.00 64.05 61.41 3kod n THR 95 Cb 0.48 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.21 -5.10 -0.78 1.57 -1.95 -3.38 116.57 106.72 3kod h LYS 96 Ca 0.00 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.15 3kod h LYS 96 Cb 0.82 0.05 -0.21 0.00 0.08 0.00 0.00 32.23 32.96 3kod h LYS 96 CO 0.00 -0.14 -0.63 -1.59 -0.57 0.00 0.00 179.45 176.53 3kod s LYS 97 N -6.10 3.71 0.09 3.15 -2.85 -1.26 -5.02 119.74 111.46 3kod s LYS 97 Ca -0.15 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 3kod s LYS 97 Cb 0.12 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 3kod s LYS 97 CO 0.68 0.01 0.00 0.41 0.10 0.00 0.00 175.35 176.55 3kod n GLY 98 N 4.30 -3.19 1.55 0.59 0.00 -1.26 -4.62 105.19 102.56 3kod n GLY 98 Ca -0.17 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.18 4.58 -3.76 1.61 4.13 -1.26 -4.49 115.26 114.88 3kod n ASN 99 Ca 0.00 -2.21 -0.24 0.00 1.68 0.00 0.00 54.58 53.81 3kod n ASN 99 Cb 0.02 -0.96 -0.17 0.00 -1.54 0.00 0.00 39.78 37.12 3kod n ASN 99 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3kod s LYS 100 N 0.26 0.63 1.02 3.52 2.20 -1.26 -5.15 119.74 120.95 3kod s LYS 100 Ca 0.00 0.00 -0.12 0.00 -0.36 0.00 0.00 55.97 55.49 3kod s LYS 100 Cb 0.00 -1.21 0.20 0.00 -1.51 0.00 0.00 37.83 35.31 3kod s LYS 100 CO 0.00 -0.37 1.08 -2.14 -0.36 0.00 0.00 175.35 173.56 3kod s PRO 101 N 1.95 0.25 -0.07 4.03 0.02 -1.26 -4.85 135.00 135.08 3kod s PRO 101 Ca 0.04 0.64 -0.03 0.00 0.02 0.00 0.00 61.00 61.67 3kod s PRO 101 Cb -0.13 -1.71 0.04 0.00 0.02 0.00 0.00 34.50 32.72 3kod s PRO 101 CO -0.06 -2.88 0.15 0.34 -0.33 0.00 0.00 177.00 174.22 3kod s ASP 102 N -3.24 0.14 -0.64 2.53 2.15 -0.20 -4.92 116.67 112.49 3kod s ASP 102 Ca 0.66 0.30 0.06 0.00 0.43 0.00 0.00 52.55 54.00 3kod s ASP 102 Cb -0.20 0.20 0.25 0.00 -0.30 0.00 0.00 42.92 42.88 3kod s ASP 102 CO 0.59 -0.18 0.75 0.49 -0.17 0.00 0.00 175.17 176.66 3kod n PHE 103 N 4.52 3.63 -0.11 -5.34 3.72 -1.26 -0.32 117.46 122.29 3kod n PHE 103 Ca -0.20 -4.15 -0.19 0.00 -0.05 0.00 0.00 57.45 52.86 3kod n PHE 103 Cb 0.51 -0.56 -0.07 0.00 -0.94 0.00 0.00 39.48 38.42 3kod n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kod n HIS 104 N 0.82 0.37 0.00 1.38 8.25 -1.26 -4.37 115.22 120.41 3kod n HIS 104 Ca 0.30 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 3kod n HIS 104 Cb 0.41 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.67 3kod n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kod n LEU 105 N -4.40 0.00 -4.44 2.41 4.77 -1.26 -4.50 117.00 109.58 3kod n LEU 105 Ca -0.31 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.24 3kod n LEU 105 Cb 0.65 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 3kod n LEU 105 CO 0.12 -0.01 -0.00 0.00 -1.33 0.00 0.00 177.39 176.17 3kod s ALA 106 N -1.77 3.49 0.14 -1.18 0.00 -1.26 -0.01 121.76 121.17 3kod s ALA 106 Ca 0.00 -1.81 -0.24 0.00 0.00 0.00 0.00 51.96 49.92 3kod s ALA 106 Cb 0.00 -2.98 -0.14 0.00 0.00 0.00 0.00 23.12 20.00 3kod s ALA 106 CO 0.00 -1.57 0.47 1.17 0.00 0.00 0.00 175.76 175.82 3kod n LYS 107 N 5.27 0.00 -2.63 0.00 4.81 -1.17 -4.64 118.16 119.80 3kod n LYS 107 Ca -0.11 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.94 3kod n LYS 107 Cb 0.46 -0.85 -0.05 0.00 0.02 0.00 0.00 35.03 34.61 3kod n LYS 107 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3kod s GLU 108 N -0.72 4.70 0.05 1.64 -6.30 -1.26 -4.81 118.70 112.00 3kod s GLU 108 Ca 0.54 1.60 -0.04 0.00 -2.50 0.00 0.00 54.97 54.58 3kod s GLU 108 Cb -0.78 -3.15 0.05 0.00 0.00 0.00 0.00 34.13 30.24 3kod s GLU 108 CO 0.45 0.33 0.31 -2.30 0.02 0.00 0.00 175.26 174.07 3kod n PRO 109 N 1.18 -0.05 -0.04 4.30 -0.02 -1.26 -1.62 135.00 137.49 3kod n PRO 109 Ca -0.01 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 3kod n PRO 109 Cb 0.47 -0.46 -0.09 0.00 -0.02 0.00 0.00 33.50 33.40 3kod n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kod h ASN 110 N 0.00 0.31 -0.41 2.55 2.35 -1.98 3.34 115.58 121.74 3kod h ASN 110 Ca 0.07 -0.60 -0.06 0.00 -0.55 0.00 0.00 56.30 55.16 3kod h ASN 110 Cb 0.12 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3kod h ASN 110 CO -0.20 0.86 0.06 -0.33 -1.65 0.00 0.00 177.43 176.17 3kod h GLU 111 N -0.22 0.76 0.35 0.81 3.07 -1.91 -3.08 114.58 114.36 3kod h GLU 111 Ca -0.01 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 3kod h GLU 111 Cb 0.82 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3kod h GLU 111 CO 0.05 0.73 -0.17 0.00 -1.40 0.00 0.00 179.01 178.22 3kod h ALA 112 N 1.34 -0.83 -0.87 3.43 0.00 -0.72 -0.40 119.26 121.22 3kod h ALA 112 Ca 0.15 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.27 3kod h ALA 112 Cb 0.36 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.17 3kod h ALA 112 CO 0.01 -0.79 0.27 -0.11 0.00 0.00 0.00 179.25 178.63 3kod n LEU 113 N -3.66 0.13 -0.03 0.00 7.94 1.10 0.19 117.00 122.68 3kod n LEU 113 Ca -0.06 1.45 -0.15 0.00 -1.11 0.00 0.00 56.01 56.14 3kod n LEU 113 Cb 0.18 -0.63 -0.09 0.00 0.53 0.00 0.00 43.42 43.41 3kod n LEU 113 CO 0.14 -1.56 0.44 0.16 -1.11 0.00 0.00 177.39 175.46 3kod h ILE 114 N 0.00 1.41 0.24 1.96 -0.00 -1.47 -0.44 117.51 119.20 3kod h ILE 114 Ca 0.65 -1.71 -0.01 0.00 -0.00 0.00 0.00 64.86 63.79 3kod h ILE 114 Cb 1.58 2.26 0.00 0.00 -0.00 0.00 0.00 36.82 40.65 3kod h ILE 114 CO -0.73 0.50 -0.12 0.15 -0.00 0.00 0.00 178.15 177.94 3kod h PHE 115 N -0.09 -0.32 -0.29 0.16 3.57 0.20 0.65 116.94 120.83 3kod h PHE 115 Ca -0.02 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3kod h PHE 115 Cb 0.98 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 3kod h PHE 115 CO 0.12 -0.19 -0.31 -0.92 -2.23 0.00 0.00 178.31 174.78 3kod h TYR 116 N -0.33 -0.95 -0.80 0.41 3.20 0.21 -0.57 116.97 118.14 3kod h TYR 116 Ca -0.03 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.00 3kod h TYR 116 Cb 0.26 0.45 -0.06 0.00 1.54 0.00 0.00 36.73 38.93 3kod h TYR 116 CO -0.07 -0.25 0.52 -0.91 -1.64 0.00 0.00 178.16 175.81 3kod h ASN 117 N -0.17 0.62 -0.43 -2.11 4.21 -0.93 0.33 115.58 117.10 3kod h ASN 117 Ca 0.05 0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.66 3kod h ASN 117 Cb 0.30 -0.10 -0.07 0.00 -1.12 0.00 0.00 38.32 37.33 3kod h ASN 117 CO -0.37 0.35 0.01 0.11 -1.29 0.00 0.00 177.43 176.25 3kod h LYS 118 N 0.67 0.12 0.49 0.81 1.57 0.20 -0.32 116.57 120.11 3kod h LYS 118 Ca 0.38 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 3kod h LYS 118 Cb 0.55 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3kod h LYS 118 CO -0.15 0.08 -0.40 0.82 -0.57 0.00 0.00 179.45 179.23 3kod h ILE 119 N 0.12 0.00 -0.98 1.86 2.04 0.11 -0.93 117.51 119.73 3kod h ILE 119 Ca 0.21 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.41 3kod h ILE 119 Cb 0.30 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.22 3kod h ILE 119 CO -0.34 0.00 0.43 0.40 0.00 0.00 0.00 178.15 178.63 3kod h ILE 120 N -0.87 0.15 -0.20 -0.67 1.08 -0.73 0.51 117.51 116.78 3kod h ILE 120 Ca -0.06 -0.05 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 3kod h ILE 120 Cb 0.73 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3kod h ILE 120 CO 0.00 0.03 -0.04 0.44 -0.69 0.00 0.00 178.15 177.88 3kod h ASP 121 N 0.14 0.39 -0.84 1.72 3.32 -0.40 0.38 116.42 121.14 3kod h ASP 121 Ca 0.73 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 57.45 3kod h ASP 121 Cb 1.73 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 41.12 3kod h ASP 121 CO -0.72 0.66 0.53 -0.08 -1.72 0.00 0.00 179.24 177.91 3kod h GLU 122 N 0.11 1.00 0.29 3.56 4.57 0.12 0.62 114.58 124.85 3kod h GLU 122 Ca 0.05 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3kod h GLU 122 Cb 0.49 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3kod h GLU 122 CO 0.02 0.66 -0.17 0.74 -1.18 0.00 0.00 179.01 179.08 3kod h PHE 123 N 1.03 -0.45 -1.22 0.92 0.04 -0.27 1.13 116.94 118.12 3kod h PHE 123 Ca 0.34 -0.01 0.37 0.00 2.80 0.00 0.00 57.97 61.47 3kod h PHE 123 Cb 0.03 0.16 -0.11 0.00 2.20 0.00 0.00 35.95 38.24 3kod h PHE 123 CO -0.03 -0.26 0.80 0.87 -0.60 0.00 0.00 178.31 179.10 3kod h LYS 124 N -0.43 0.19 -0.03 1.51 1.57 -0.83 0.24 116.57 118.80 3kod h LYS 124 Ca -0.04 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 3kod h LYS 124 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3kod h LYS 124 CO 0.05 0.12 -0.79 0.87 -0.57 0.00 0.00 179.45 179.13 3kod h LYS 125 N 0.19 0.25 -0.64 3.15 1.57 0.12 -2.95 116.57 118.26 3kod h LYS 125 Ca 0.71 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3kod h LYS 125 Cb 2.18 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.55 3kod h LYS 125 CO -0.32 0.92 0.00 0.94 -0.57 0.00 0.00 179.45 180.42 3kod n GLN 126 N -3.75 3.53 0.00 3.15 7.27 0.38 -4.83 117.38 123.13 3kod n GLN 126 Ca -0.04 -2.83 0.00 0.00 0.07 0.00 0.00 57.00 54.21 3kod n GLN 126 Cb 0.75 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.58 3kod n GLN 126 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3kod n TYR 127 N 1.15 0.00 -3.64 3.69 9.36 0.46 -5.01 117.16 123.18 3kod n TYR 127 Ca 0.25 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.37 3kod n TYR 127 Cb 0.83 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.47 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 1.16 -0.58 0.28 2.98 2.47 -1.12 -5.03 114.94 115.10 3kod s ASN 128 Ca 0.00 1.09 0.02 0.00 0.42 0.00 0.00 52.86 54.39 3kod s ASN 128 Cb 0.00 1.13 0.63 0.00 -1.45 0.00 0.00 41.25 41.55 3kod s ASN 128 CO 0.00 -0.19 1.76 -0.78 -3.72 0.00 0.00 177.10 174.18 3kod h ASP 129 N 4.78 0.62 0.71 -4.21 1.82 -1.93 -2.86 116.42 115.35 3kod h ASP 129 Ca -0.29 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.42 3kod h ASP 129 Cb 1.18 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 41.19 3kod h ASP 129 CO 0.10 0.23 -0.34 0.44 -1.61 0.00 0.00 179.24 178.06 3kod h ASP 130 N 0.67 -0.81 0.00 2.28 3.32 -1.96 -3.31 116.42 116.61 3kod h ASP 130 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3kod h ASP 130 Cb 0.77 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3kod h ASP 130 CO -0.38 -0.51 0.00 0.29 -1.72 0.00 0.00 179.24 176.91 3kod n LYS 131 N -5.47 0.51 -4.10 3.56 4.76 -1.08 -4.51 118.16 111.83 3kod n LYS 131 Ca -0.13 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.96 3kod n LYS 131 Cb 0.39 -1.48 -0.13 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.00 3.75 0.12 -0.18 -1.09 -1.23 -1.74 121.20 118.82 3kod s ILE 132 Ca 0.23 -0.38 0.11 0.00 -2.23 0.00 0.00 60.65 58.38 3kod s ILE 132 Cb 0.11 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 3kod s ILE 132 CO 0.18 0.43 -0.27 -0.54 -1.23 0.00 0.00 174.94 173.52 3kod s LYS 133 N 1.05 1.45 0.17 2.79 3.01 -0.09 -5.00 119.74 123.12 3kod s LYS 133 Ca 0.01 -1.32 0.00 0.00 -1.01 0.00 0.00 55.97 53.66 3kod s LYS 133 Cb -0.14 -1.90 -0.00 0.00 -1.01 0.00 0.00 37.83 34.77 3kod s LYS 133 CO 0.01 0.46 0.01 0.44 0.51 0.00 0.00 175.35 176.78 3kod n ILE 134 N 1.03 0.00 -4.37 2.17 -5.35 -1.26 0.24 119.36 111.81 3kod n ILE 134 Ca -0.18 -0.83 -0.21 0.00 -0.27 0.00 0.00 62.75 61.26 3kod n ILE 134 Cb 0.53 0.20 -0.07 0.00 -1.74 0.00 0.00 39.64 38.56 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 2.49 3.21 3.58 3.28 0.00 -1.25 -4.75 105.19 111.75 3kod n GLY 135 Ca -0.06 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.33 3.25 0.04 1.61 -0.14 -1.26 -4.94 119.74 114.97 3kod s LYS 136 Ca 0.25 0.55 -0.35 0.00 -1.36 0.00 0.00 55.97 55.06 3kod s LYS 136 Cb 0.01 -4.15 -0.14 0.00 -1.68 0.00 0.00 37.83 31.88 3kod s LYS 136 CO 0.18 -1.99 1.66 0.34 -0.76 0.00 0.00 175.35 174.77 3kod n PHE 137 N 9.89 2.18 -1.64 3.18 7.35 -1.26 -1.58 117.46 135.59 3kod n PHE 137 Ca 0.14 0.24 -0.12 0.00 -0.76 0.00 0.00 57.45 56.95 3kod n PHE 137 Cb 0.49 -2.55 -0.04 0.00 0.35 0.00 0.00 39.48 37.73 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 3.68 0.86 3.45 7.13 0.00 -1.26 -5.01 105.19 114.04 3kod n GLY 138 Ca 0.20 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3kod n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kod s ASN 139 N -2.73 4.02 -0.31 1.61 0.01 -0.61 -5.08 114.94 111.85 3kod s ASN 139 Ca 0.00 -0.23 -0.37 0.00 -0.71 0.00 0.00 52.86 51.55 3kod s ASN 139 Cb 0.00 -1.05 -0.13 0.00 0.41 0.00 0.00 41.25 40.47 3kod s ASN 139 CO 0.00 0.30 2.01 0.00 -1.51 0.00 0.00 177.10 177.90 3kod n TYR 140 N 2.63 1.80 -3.85 2.20 9.36 -1.26 -4.89 117.16 123.15 3kod n TYR 140 Ca -0.17 0.36 -0.11 0.00 3.32 0.00 0.00 57.90 61.30 3kod n TYR 140 Cb 0.52 -2.51 -0.01 0.00 -0.63 0.00 0.00 39.34 36.72 3kod n TYR 140 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3kod n MET 141 N 7.10 1.30 -3.17 2.98 2.81 -1.26 -4.40 117.12 122.49 3kod n MET 141 Ca 0.35 -1.32 0.03 0.00 -1.81 0.00 0.00 57.70 54.95 3kod n MET 141 Cb 0.19 0.22 -0.01 0.00 -0.71 0.00 0.00 33.22 32.90 3kod n MET 141 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3kod s ASN 142 N -2.16 -1.34 -0.23 7.83 2.47 -0.80 -4.98 114.94 115.73 3kod s ASN 142 Ca 0.08 0.51 -0.01 0.00 0.42 0.00 0.00 52.86 53.86 3kod s ASN 142 Cb -0.01 2.02 0.02 0.00 -1.45 0.00 0.00 41.25 41.84 3kod s ASN 142 CO 0.05 -0.28 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.43 3kod s ILE 143 N 2.82 2.72 -0.01 -5.21 1.01 -1.26 -2.09 121.20 119.19 3kod s ILE 143 Ca 0.16 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 3kod s ILE 143 Cb -0.13 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3kod s ILE 143 CO -0.23 0.26 0.99 -1.81 0.00 0.00 0.00 174.94 174.15 3kod s ASP 144 N 1.32 7.35 -0.04 3.58 1.01 -1.03 -4.94 116.67 123.92 3kod s ASP 144 Ca 0.01 1.66 0.01 0.00 0.71 0.00 0.00 52.55 54.94 3kod s ASP 144 Cb -0.16 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.22 3kod s ASP 144 CO -0.06 -0.29 -0.04 -0.69 0.21 0.00 0.00 175.17 174.30 3kod s VAL 145 N 1.11 0.52 -1.03 -1.27 1.01 -1.26 -1.20 120.40 118.27 3kod s VAL 145 Ca 0.52 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 3kod s VAL 145 Cb -0.21 -0.54 0.26 0.00 0.00 0.00 0.00 36.38 35.89 3kod s VAL 145 CO 0.27 0.22 1.01 -0.89 0.00 0.00 0.00 175.10 175.70 3kod s THR 146 N 0.84 5.77 0.22 3.92 2.01 0.35 -5.01 115.64 123.74 3kod s THR 146 Ca -0.11 -3.27 -0.32 0.00 0.31 0.00 0.00 61.69 58.30 3kod s THR 146 Cb -0.14 -4.49 -0.14 0.00 0.01 0.00 0.00 72.50 67.74 3kod s THR 146 CO 0.00 -1.14 1.33 0.59 -0.69 0.00 0.00 174.62 174.71 3kod n ASN 147 N 2.93 2.31 -3.83 3.53 3.02 -1.26 -0.69 115.26 121.27 3kod n ASN 147 Ca 0.21 1.14 -0.29 0.00 -0.03 0.00 0.00 54.58 55.61 3kod n ASN 147 Cb 0.41 -1.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.11 3kod n ASN 147 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kod n ASP 148 N 2.11 3.42 0.00 6.41 2.03 -0.66 -4.73 116.55 125.13 3kod n ASP 148 Ca 0.13 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 52.18 3kod n ASP 148 Cb 0.29 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 3kod n ASP 148 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kod n GLY 149 N 1.75 -0.02 3.91 0.27 0.00 -1.26 -4.16 105.19 105.68 3kod n GLY 149 Ca 0.22 0.22 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 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 1.92 -0.14 1.61 0.05 -1.26 -5.17 135.00 132.02 3kod s PRO 150 Ca 0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 61.00 61.02 3kod s PRO 150 Cb 0.00 -2.00 0.04 0.00 0.05 0.00 0.00 34.50 32.59 3kod s PRO 150 CO 0.00 -1.57 -0.02 0.08 0.05 0.00 0.00 177.00 175.54 3kod s VAL 151 N -3.52 0.73 -0.36 -0.36 1.01 -1.26 -5.04 120.40 111.61 3kod s VAL 151 Ca 0.62 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.28 3kod s VAL 151 Cb -0.10 -0.96 0.11 0.00 0.00 0.00 0.00 36.38 35.42 3kod s VAL 151 CO 0.48 0.12 0.12 -0.89 0.00 0.00 0.00 175.10 174.94 3kod s THR 152 N 1.80 1.55 -0.08 3.92 2.01 -1.26 -0.81 115.64 122.77 3kod s THR 152 Ca 0.02 -2.08 -0.20 0.00 0.31 0.00 0.00 61.69 59.74 3kod s THR 152 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3kod s THR 152 CO -0.07 -0.71 0.57 -0.63 -0.69 0.00 0.00 174.62 173.09 3kod s ILE 153 N 0.99 5.10 -0.15 1.82 -1.09 -0.32 -4.91 121.20 122.65 3kod s ILE 153 Ca 0.12 1.16 -0.01 0.00 -2.23 0.00 0.00 60.65 59.69 3kod s ILE 153 Cb -0.20 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 3kod s ILE 153 CO -0.13 0.31 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.32 3kod s TYR 154 N 0.56 2.87 0.08 3.97 5.04 -1.26 -0.52 117.35 128.09 3kod s TYR 154 Ca 0.31 -0.67 0.08 0.00 -2.44 0.00 0.00 57.07 54.35 3kod s TYR 154 Cb -0.16 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 40.20 3kod s TYR 154 CO 0.14 -0.26 -0.20 0.42 -1.34 0.00 0.00 175.55 174.31 3kod s ILE 155 N 0.58 1.62 -0.03 3.14 1.01 -1.04 -5.03 121.20 121.44 3kod s ILE 155 Ca -0.06 -1.42 0.02 0.00 0.00 0.00 0.00 60.65 59.18 3kod s ILE 155 Cb -0.15 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.87 3kod s ILE 155 CO 0.03 -0.01 -0.06 -0.62 0.00 0.00 0.00 174.94 174.28 3kod s ASP 156 N -1.69 0.97 0.29 3.58 -1.08 -1.26 -2.26 116.67 115.22 3kod s ASP 156 Ca 0.06 -0.14 0.24 0.00 -0.52 0.00 0.00 52.55 52.18 3kod s ASP 156 Cb -0.10 -0.37 0.42 0.00 -1.46 0.00 0.00 42.92 41.41 3kod s ASP 156 CO 0.03 -0.00 1.52 0.71 0.52 0.00 0.00 175.17 177.95 3kod h THR 157 N 5.79 0.00 0.00 1.71 1.35 -1.93 -3.30 112.91 116.53 3kod h THR 157 Ca -0.36 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3kod h THR 157 Cb 1.16 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3kod h THR 157 CO 0.48 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.16 3kod n HIS 158 N -2.65 0.00 -0.91 4.73 8.25 -1.26 -4.99 115.22 118.40 3kod n HIS 158 Ca 0.04 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 3kod n HIS 158 Cb 0.49 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3kod n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73