#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tko h ARG 8 N 0.00 0.00 -3.46 0.00 3.08 -2.09 -3.45 114.38 108.47 1tko h ARG 8 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1tko h ARG 8 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1tko h ARG 8 CO 0.00 0.38 -0.26 0.00 -1.07 0.00 0.00 179.97 179.02 1tko s ALA 9 N -4.10 -0.59 -0.12 0.04 0.00 -1.26 -5.16 121.76 110.58 1tko s ALA 9 Ca -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1tko s ALA 9 Cb 0.14 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1tko s ALA 9 CO 0.72 -0.47 -0.16 0.99 0.00 0.00 0.00 175.76 176.83 1tko s THR 10 N -3.10 2.80 0.11 0.00 2.01 -1.26 -5.07 115.64 111.12 1tko s THR 10 Ca -0.01 -0.76 -0.36 0.00 0.31 0.00 0.00 61.69 60.87 1tko s THR 10 Cb 0.01 -2.15 -0.16 0.00 0.01 0.00 0.00 72.50 70.21 1tko s THR 10 CO -0.07 0.54 1.38 0.00 -0.69 0.00 0.00 174.62 175.77 1tko n ALA 11 N 3.46 -0.50 0.00 7.40 0.00 -1.26 -0.80 120.51 128.81 1tko n ALA 11 Ca -0.18 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1tko n ALA 11 Cb 0.53 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1tko n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tko n GLY 12 N 2.66 2.50 3.79 0.00 0.00 -1.26 -5.07 105.19 107.81 1tko n GLY 12 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1tko n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tko s GLU 13 N -0.23 4.48 -0.41 1.61 2.02 0.02 -4.98 118.70 121.21 1tko s GLU 13 Ca 0.00 1.17 0.02 0.00 0.02 0.00 0.00 54.97 56.18 1tko s GLU 13 Cb 0.00 -2.86 0.15 0.00 0.10 0.00 0.00 34.13 31.51 1tko s GLU 13 CO 0.00 0.34 0.26 0.08 0.02 0.00 0.00 175.26 175.96 1tko s VAL 14 N -1.55 0.67 -1.86 2.63 1.01 -1.26 -3.90 120.40 116.14 1tko s VAL 14 Ca 0.47 -2.28 0.17 0.00 0.00 0.00 0.00 61.98 60.34 1tko s VAL 14 Cb -0.18 -1.48 0.44 0.00 0.00 0.00 0.00 36.38 35.16 1tko s VAL 14 CO 0.23 -1.02 1.44 -1.84 0.00 0.00 0.00 175.10 173.92 1tko n GLU 15 N 3.54 0.46 0.00 2.72 0.28 -0.93 -4.68 120.64 122.03 1tko n GLU 15 Ca 0.15 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1tko n GLU 15 Cb 0.39 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1tko n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tko n GLY 16 N 0.09 -0.25 3.39 -1.84 0.00 -1.14 -4.43 105.19 101.00 1tko n GLY 16 Ca 0.12 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1tko n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tko s SER 17 N -4.00 -0.58 0.11 1.61 0.15 0.12 -3.03 113.70 108.08 1tko s SER 17 Ca 0.00 1.16 -0.09 0.00 0.70 0.00 0.00 55.95 57.72 1tko s SER 17 Cb 0.00 1.44 -0.14 0.00 -1.71 0.00 0.00 66.02 65.61 1tko s SER 17 CO 0.00 -0.22 1.27 0.44 1.20 0.00 0.00 173.24 175.93 1tko h ASP 18 N 7.79 0.72 -0.73 5.45 3.32 -1.90 0.11 116.42 131.18 1tko h ASP 18 Ca -0.22 -0.55 -0.04 0.00 0.02 0.00 0.00 57.03 56.24 1tko h ASP 18 Cb 1.14 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 1tko h ASP 18 CO 0.16 1.35 0.31 0.00 -1.72 0.00 0.00 179.24 179.33 1tko h ALA 19 N 0.61 0.94 -0.14 3.45 0.00 -1.95 -2.06 119.26 120.11 1tko h ALA 19 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1tko h ALA 19 Cb 1.58 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1tko h ALA 19 CO 0.18 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.25 1tko n LEU 20 N -4.36 1.47 -3.89 0.00 4.77 -1.23 -4.93 117.00 108.83 1tko n LEU 20 Ca 0.06 -0.61 -0.26 0.00 -0.03 0.00 0.00 56.01 55.17 1tko n LEU 20 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1tko n LEU 20 CO 0.40 0.30 -0.10 0.54 -1.33 0.00 0.00 177.39 177.20 1tko n ARG 21 N 0.19 -4.19 -4.02 3.23 5.12 -0.77 -4.96 116.66 111.25 1tko n ARG 21 Ca 0.16 0.51 -0.31 0.00 -1.93 0.00 0.00 57.85 56.27 1tko n ARG 21 Cb 0.30 -4.96 -0.16 0.00 -1.16 0.00 0.00 32.46 26.49 1tko n ARG 21 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1tko s MET 22 N -6.41 2.13 0.33 5.56 1.75 0.33 -5.03 119.30 117.97 1tko s MET 22 Ca 0.18 -1.01 -0.27 0.00 -1.25 0.00 0.00 55.69 53.34 1tko s MET 22 Cb -0.09 -2.59 -0.09 0.00 2.84 0.00 0.00 34.83 34.89 1tko s MET 22 CO 0.86 -0.47 1.07 0.16 -0.65 0.00 0.00 175.02 175.98 1tko s ASP 23 N 1.30 7.07 0.65 1.11 -4.77 -1.26 -0.71 116.67 120.07 1tko s ASP 23 Ca -0.03 2.15 0.25 0.00 -3.30 0.00 0.00 52.55 51.61 1tko s ASP 23 Cb -0.17 -2.61 1.35 0.00 -1.09 0.00 0.00 42.92 40.40 1tko s ASP 23 CO -0.07 -0.27 1.76 0.00 0.70 0.00 0.00 175.17 177.28 1tko h ALA 24 N 3.26 1.43 0.39 2.11 0.00 -1.83 -0.22 119.26 124.40 1tko h ALA 24 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1tko h ALA 24 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1tko h ALA 24 CO 0.65 -0.43 -0.19 0.22 0.00 0.00 0.00 179.25 179.50 1tko h ASP 25 N 0.00 -0.44 -0.08 0.00 1.82 -1.91 -2.33 116.42 113.48 1tko h ASP 25 Ca 0.00 -0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1tko h ASP 25 Cb 0.87 0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.99 1tko h ASP 25 CO 0.00 0.00 0.03 0.03 -1.61 0.00 0.00 179.24 177.70 1tko h ARG 26 N -1.09 0.11 -0.39 0.28 3.08 -1.67 -3.25 114.38 111.44 1tko h ARG 26 Ca -0.05 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1tko h ARG 26 Cb 0.46 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 1tko h ARG 26 CO 0.09 0.21 -0.54 0.00 -1.07 0.00 0.00 179.97 178.65 1tko h ALA 27 N 0.90 -0.78 -1.28 0.04 0.00 -1.19 -1.54 119.26 115.41 1tko h ALA 27 Ca 0.03 -0.00 0.37 0.00 0.00 0.00 0.00 54.91 55.30 1tko h ALA 27 Cb 0.14 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1tko h ALA 27 CO -0.00 -1.04 0.88 1.49 0.00 0.00 0.00 179.25 180.58 1tko h GLU 28 N -0.39 0.11 -0.34 0.00 4.81 -1.45 0.22 114.58 117.54 1tko h GLU 28 Ca 0.07 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1tko h GLU 28 Cb 0.58 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1tko h GLU 28 CO -0.58 0.07 0.07 1.96 -0.73 0.00 0.00 179.01 179.80 1tko h GLN 29 N 0.11 0.55 0.18 1.92 4.20 -1.37 -2.03 115.11 118.67 1tko h GLN 29 Ca 0.67 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1tko h GLN 29 Cb 2.34 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.05 1tko h GLN 29 CO -0.15 0.62 -0.09 0.00 -0.67 0.00 0.00 178.83 178.55 1tko h VAL 31 N -0.71 0.50 0.05 0.00 2.07 -1.15 0.55 116.25 117.55 1tko h VAL 31 Ca -0.02 -0.04 -0.25 0.00 0.82 0.00 0.00 66.70 67.21 1tko h VAL 31 Cb 0.50 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1tko h VAL 31 CO 0.04 0.02 -1.06 0.44 0.02 0.00 0.00 177.57 177.04 1tko h ASP 32 N 0.11 0.57 0.13 0.57 5.19 -1.34 -1.89 116.42 119.77 1tko h ASP 32 Ca 0.52 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1tko h ASP 32 Cb 1.85 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 41.19 1tko h ASP 32 CO -0.08 1.32 -0.06 0.00 -3.12 0.00 0.00 179.24 177.30 1tko h ALA 33 N 0.63 -0.18 -0.00 3.45 0.00 -0.03 -2.96 119.26 120.16 1tko h ALA 33 Ca -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1tko h ALA 33 Cb 1.72 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1tko h ALA 33 CO 0.18 -0.34 -0.11 -0.07 0.00 0.00 0.00 179.25 178.92 1tko h LEU 34 N -0.70 -0.31 -2.29 0.00 3.38 -0.25 -2.33 115.31 112.80 1tko h LEU 34 Ca -0.02 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1tko h LEU 34 Cb 0.51 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1tko h LEU 34 CO 0.03 -0.15 0.04 -1.13 0.09 0.00 0.00 178.44 177.32 1tko h ASN 35 N -0.18 0.00 -0.26 -0.43 -0.73 -1.44 0.18 115.58 112.72 1tko h ASN 35 Ca 0.04 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.08 1tko h ASN 35 Cb 0.23 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 1tko h ASN 35 CO -0.11 0.00 -0.34 0.00 -0.37 0.00 0.00 177.43 176.61 1tko h ALA 36 N 1.95 0.39 -0.26 1.57 0.00 -1.25 -3.08 119.26 118.57 1tko h ALA 36 Ca 0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1tko h ALA 36 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1tko h ALA 36 CO -0.00 0.44 -0.19 -0.44 0.00 0.00 0.00 179.25 179.07 1tko h ASP 37 N 0.41 0.62 -0.80 0.00 3.32 -0.69 -3.03 116.42 116.25 1tko h ASP 37 Ca 0.03 -0.44 0.19 0.00 0.02 0.00 0.00 57.03 56.83 1tko h ASP 37 Cb 0.93 -0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.18 1tko h ASP 37 CO 0.08 0.93 0.20 0.25 -1.72 0.00 0.00 179.24 178.98 1tko h LEU 38 N 0.32 0.00 -0.43 1.55 5.85 -0.75 0.17 115.31 122.02 1tko h LEU 38 Ca 0.05 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1tko h LEU 38 Cb 0.72 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1tko h LEU 38 CO 0.05 -0.08 0.11 0.00 -0.34 0.00 0.00 178.44 178.18 1tko h ALA 39 N 1.68 0.57 -0.42 1.25 0.00 -1.50 -1.13 119.26 119.72 1tko h ALA 39 Ca 0.47 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1tko h ALA 39 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1tko h ALA 39 CO -0.57 0.25 0.05 -0.91 0.00 0.00 0.00 179.25 178.07 1tko h ASN 40 N 0.56 0.68 -0.42 0.00 2.35 -0.92 -2.46 115.58 115.37 1tko h ASN 40 Ca 0.14 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 1tko h ASN 40 Cb 0.32 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1tko h ASN 40 CO 0.00 0.78 -0.04 0.58 -1.65 0.00 0.00 177.43 177.10 1tko h VAL 41 N 0.55 1.25 0.00 2.81 2.07 -0.70 -1.09 116.25 121.15 1tko h VAL 41 Ca 0.12 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 1tko h VAL 41 Cb 0.40 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1tko h VAL 41 CO 0.01 0.38 -0.30 1.88 0.02 0.00 0.00 177.57 179.57 1tko h TYR 42 N 0.78 0.00 0.05 1.57 0.99 -1.07 0.23 116.97 119.52 1tko h TYR 42 Ca 0.14 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.62 1tko h TYR 42 Cb 0.52 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.24 1tko h TYR 42 CO 0.03 0.30 -1.20 -0.39 -0.00 0.00 0.00 178.16 176.90 1tko h VAL 43 N 0.00 1.50 -0.71 -2.88 -1.51 -1.19 -2.80 116.25 108.67 1tko h VAL 43 Ca -0.00 -3.18 -0.00 0.00 -1.23 0.00 0.00 66.70 62.29 1tko h VAL 43 Cb 0.78 2.83 -0.03 0.00 -2.13 0.00 0.00 31.29 32.74 1tko h VAL 43 CO 0.04 0.89 0.43 0.25 -1.23 0.00 0.00 177.57 177.95 1tko h LEU 44 N 0.03 0.86 0.04 4.19 5.85 -0.61 -0.55 115.31 125.12 1tko h LEU 44 Ca -0.10 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1tko h LEU 44 Cb 1.88 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 1tko h LEU 44 CO 0.15 0.67 -0.25 0.22 -0.34 0.00 0.00 178.44 178.89 1tko h TYR 45 N 0.97 -0.66 -0.02 1.25 3.20 -0.51 0.07 116.97 121.28 1tko h TYR 45 Ca 0.26 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1tko h TYR 45 Cb -0.03 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1tko h TYR 45 CO -0.01 -0.34 -0.19 0.45 -1.64 0.00 0.00 178.16 176.43 1tko h HIS 46 N -0.41 0.03 -0.04 -3.82 3.86 -1.19 -0.74 115.15 112.83 1tko h HIS 46 Ca 0.05 -0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.05 1tko h HIS 46 Cb 0.47 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.95 1tko h HIS 46 CO -0.27 0.21 -0.79 0.37 0.86 0.00 0.00 177.93 178.32 1tko h GLN 47 N 0.03 0.61 -0.84 2.45 4.15 -0.62 -1.70 115.11 119.19 1tko h GLN 47 Ca 0.00 -0.60 -0.03 0.00 0.77 0.00 0.00 58.65 58.80 1tko h GLN 47 Cb 0.35 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 1tko h GLN 47 CO 0.02 1.21 0.41 -0.07 -1.93 0.00 0.00 178.83 178.48 1tko h LEU 48 N 0.24 1.09 0.24 -2.39 3.38 -0.68 -0.96 115.31 116.23 1tko h LEU 48 Ca -0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1tko h LEU 48 Cb 1.45 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1tko h LEU 48 CO 0.16 0.91 -0.14 0.11 0.09 0.00 0.00 178.44 179.56 1tko h LYS 49 N 1.19 -0.36 -0.43 1.13 1.79 -1.09 0.27 116.57 119.07 1tko h LYS 49 Ca 0.29 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.87 1tko h LYS 49 Cb 0.10 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.74 1tko h LYS 49 CO -0.04 -0.24 -0.35 -0.22 -1.08 0.00 0.00 179.45 177.53 1tko h LYS 50 N -0.37 -0.24 -0.04 3.15 3.64 -0.73 0.20 116.57 122.17 1tko h LYS 50 Ca -0.03 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1tko h LYS 50 Cb 0.31 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1tko h LYS 50 CO 0.03 -0.16 -0.13 0.45 -2.27 0.00 0.00 179.45 177.36 1tko h HIS 51 N -0.25 0.07 -0.11 1.91 3.86 -1.04 -1.16 115.15 118.44 1tko h HIS 51 Ca 0.18 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1tko h HIS 51 Cb 0.55 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 1tko h HIS 51 CO -0.57 0.20 0.05 1.25 0.86 0.00 0.00 177.93 179.72 1tko h HIS 52 N 0.06 0.16 -0.44 2.45 -0.00 0.14 -0.53 115.15 116.99 1tko h HIS 52 Ca 0.01 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1tko h HIS 52 Cb 0.28 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1tko h HIS 52 CO 0.00 0.22 -0.17 -1.49 -0.00 0.00 0.00 177.93 176.49 1tko h TRP 53 N 0.04 1.02 0.00 5.26 6.55 -0.18 -3.36 115.95 125.28 1tko h TRP 53 Ca 0.04 -0.24 -0.27 0.00 0.95 0.00 0.00 58.89 59.36 1tko h TRP 53 Cb 0.13 -0.24 -0.04 0.00 -0.86 0.00 0.00 29.16 28.14 1tko h TRP 53 CO -0.03 1.02 -1.54 -0.91 -1.05 0.00 0.00 178.44 175.94 1tko h ASN 54 N 0.73 0.01 -1.21 -3.49 2.35 -1.18 -3.48 115.58 109.31 1tko h ASN 54 Ca 0.10 -0.03 -0.73 0.00 -0.55 0.00 0.00 56.30 55.10 1tko h ASN 54 Cb 0.73 -0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.16 1tko h ASN 54 CO 0.06 1.02 -0.02 0.55 -1.65 0.00 0.00 177.43 177.39 1tko n VAL 55 N -3.13 0.63 -4.25 2.81 3.14 -0.21 -4.98 118.33 112.34 1tko n VAL 55 Ca -0.13 -0.16 -0.14 0.00 -2.96 0.00 0.00 64.34 60.95 1tko n VAL 55 Cb 1.02 -0.20 -0.10 0.00 -1.06 0.00 0.00 33.84 33.50 1tko n VAL 55 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1tko s GLU 56 N -0.27 1.32 0.00 1.45 2.02 -1.26 -4.94 118.70 117.02 1tko s GLU 56 Ca 0.81 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1tko s GLU 56 Cb -1.09 0.10 0.00 0.00 0.10 0.00 0.00 34.13 33.24 1tko s GLU 56 CO 0.55 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1tko n GLY 57 N -0.37 0.06 0.21 -1.39 0.00 -1.26 -4.50 105.19 97.94 1tko n GLY 57 Ca 0.02 -2.26 -0.16 0.00 0.00 0.00 0.00 46.02 43.62 1tko n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tko h ALA 58 N 0.00 0.37 -0.82 4.61 0.00 -2.06 -3.17 119.26 118.19 1tko h ALA 58 Ca 0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 54.91 53.96 1tko h ALA 58 Cb 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.57 1tko h ALA 58 CO 0.00 0.70 0.41 0.39 0.00 0.00 0.00 179.25 180.75 1tko n GLU 59 N -3.91 2.96 0.18 0.00 4.71 -1.26 -4.68 120.64 118.64 1tko n GLU 59 Ca -0.07 -3.06 -0.14 0.00 -0.01 0.00 0.00 57.16 53.87 1tko n GLU 59 Cb 0.75 -2.17 -0.08 0.00 -1.01 0.00 0.00 31.44 28.93 1tko n GLU 59 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1tko h PHE 60 N 1.83 -0.43 -0.39 -0.32 3.57 -1.78 -2.22 116.94 117.20 1tko h PHE 60 Ca 0.42 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.83 1tko h PHE 60 Cb 2.51 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 41.38 1tko h PHE 60 CO 1.39 -0.26 -0.08 -0.09 -2.23 0.00 0.00 178.31 177.03 1tko h ARG 61 N -0.43 0.67 -0.41 1.11 2.43 -1.86 0.28 114.38 116.17 1tko h ARG 61 Ca -0.03 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 1tko h ARG 61 Cb 0.35 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1tko h ARG 61 CO 0.04 0.74 0.15 0.22 -1.51 0.00 0.00 179.97 179.62 1tko h ASP 62 N 0.61 0.57 0.42 -3.80 -0.00 -1.90 -2.55 116.42 109.79 1tko h ASP 62 Ca 0.11 -0.18 -0.17 0.00 -0.00 0.00 0.00 57.03 56.79 1tko h ASP 62 Cb 0.51 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.68 1tko h ASP 62 CO 0.03 0.60 -0.72 -0.07 -0.00 0.00 0.00 179.24 179.07 1tko h LEU 63 N 0.52 0.30 -0.44 2.28 3.38 -1.07 -2.23 115.31 118.06 1tko h LEU 63 Ca 0.14 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1tko h LEU 63 Cb 0.21 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1tko h LEU 63 CO -0.01 0.92 0.20 -0.74 0.09 0.00 0.00 178.44 178.91 1tko h HIS 64 N 0.17 0.37 -0.18 1.13 2.76 -0.29 0.21 115.15 119.32 1tko h HIS 64 Ca -0.02 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1tko h HIS 64 Cb 1.28 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1tko h HIS 64 CO 0.03 0.18 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.46 1tko h LEU 65 N 0.41 0.58 0.19 0.26 3.38 -1.44 -2.20 115.31 116.49 1tko h LEU 65 Ca 0.19 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1tko h LEU 65 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1tko h LEU 65 CO -0.15 1.01 -0.16 0.15 0.09 0.00 0.00 178.44 179.37 1tko h PHE 66 N 0.17 -0.43 -0.23 1.13 3.57 -1.13 -1.60 116.94 118.43 1tko h PHE 66 Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1tko h PHE 66 Cb 0.90 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1tko h PHE 66 CO 0.09 -0.25 0.04 -0.07 -2.23 0.00 0.00 178.31 175.89 1tko h LEU 67 N -0.38 0.29 -0.21 0.59 3.38 -0.66 -0.52 115.31 117.81 1tko h LEU 67 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1tko h LEU 67 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1tko h LEU 67 CO -0.02 0.32 0.08 1.23 0.09 0.00 0.00 178.44 180.13 1tko h GLY 68 N 0.55 0.34 0.99 0.83 0.00 -0.94 -0.34 103.07 104.50 1tko h GLY 68 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1tko h GLY 68 CO -0.00 0.18 0.29 0.83 0.00 0.00 0.00 176.54 177.84 1tko h GLU 69 N 0.18 0.80 -0.53 4.80 5.08 -0.71 -1.48 114.58 122.72 1tko h GLU 69 Ca 0.07 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1tko h GLU 69 Cb 0.19 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1tko h GLU 69 CO -0.00 0.63 0.32 0.00 -1.00 0.00 0.00 179.01 178.95 1tko h ALA 70 N 1.13 0.68 -0.57 3.43 0.00 -0.93 -0.10 119.26 122.90 1tko h ALA 70 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1tko h ALA 70 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1tko h ALA 70 CO -0.03 0.02 0.34 0.00 0.00 0.00 0.00 179.25 179.58 1tko h ALA 71 N 1.24 0.74 -0.68 0.00 0.00 -0.66 -1.01 119.26 118.88 1tko h ALA 71 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1tko h ALA 71 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1tko h ALA 71 CO -0.10 0.05 0.38 1.49 0.00 0.00 0.00 179.25 181.07 1tko h GLU 72 N 0.66 0.94 -0.55 0.00 4.81 -0.39 -1.08 114.58 118.97 1tko h GLU 72 Ca 0.23 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1tko h GLU 72 Cb 0.05 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1tko h GLU 72 CO -0.11 0.70 0.24 1.15 -0.73 0.00 0.00 179.01 180.25 1tko h THR 73 N 0.93 1.21 -0.59 0.32 2.02 -0.60 -1.65 112.91 114.55 1tko h THR 73 Ca 0.24 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1tko h THR 73 Cb 0.02 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1tko h THR 73 CO -0.04 0.25 0.39 0.00 0.37 0.00 0.00 175.52 176.49 1tko h ALA 74 N 1.08 0.75 -0.93 6.16 0.00 -0.73 0.17 119.26 125.76 1tko h ALA 74 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1tko h ALA 74 Cb 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1tko h ALA 74 CO -0.02 0.17 0.55 1.49 0.00 0.00 0.00 179.25 181.45 1tko h GLU 75 N 0.79 1.28 -0.37 0.00 4.81 -0.84 0.26 114.58 120.51 1tko h GLU 75 Ca 0.22 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1tko h GLU 75 Cb -0.08 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.03 1tko h GLU 75 CO -0.05 0.90 -0.07 0.93 -0.73 0.00 0.00 179.01 179.98 1tko h GLU 76 N 1.29 0.71 -0.53 1.92 5.08 -0.77 -0.97 114.58 121.32 1tko h GLU 76 Ca 0.33 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1tko h GLU 76 Cb -0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1tko h GLU 76 CO -0.06 0.85 0.29 0.28 -1.00 0.00 0.00 179.01 179.36 1tko h VAL 77 N 0.51 1.18 -0.90 3.13 2.07 -0.63 -1.31 116.25 120.30 1tko h VAL 77 Ca 0.10 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1tko h VAL 77 Cb 0.58 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1tko h VAL 77 CO 0.03 0.19 0.59 0.00 0.02 0.00 0.00 177.57 178.41 1tko h ALA 78 N 1.12 1.14 -0.70 1.67 0.00 -0.74 -1.28 119.26 120.47 1tko h ALA 78 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1tko h ALA 78 Cb 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1tko h ALA 78 CO -0.03 0.54 0.21 0.22 0.00 0.00 0.00 179.25 180.19 1tko h ASP 79 N 1.22 1.02 -0.42 0.00 3.58 -0.71 -0.51 116.42 120.60 1tko h ASP 79 Ca 0.33 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1tko h ASP 79 Cb -0.14 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.63 1tko h ASP 79 CO -0.07 0.96 0.20 -0.33 -2.88 0.00 0.00 179.24 177.12 1tko h GLU 80 N 1.05 0.60 0.92 0.28 4.39 -0.54 -1.61 114.58 119.66 1tko h GLU 80 Ca 0.23 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 1tko h GLU 80 Cb 0.31 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1tko h GLU 80 CO -0.01 0.52 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.85 1tko h LEU 81 N 0.54 -1.04 -1.04 1.33 -0.00 -0.90 -1.31 115.31 112.88 1tko h LEU 81 Ca 0.14 0.04 0.24 0.00 -0.00 0.00 0.00 57.88 58.30 1tko h LEU 81 Cb 0.12 0.27 -0.12 0.00 -0.00 0.00 0.00 40.66 40.93 1tko h LEU 81 CO -0.02 -0.70 0.60 0.00 -0.00 0.00 0.00 178.44 178.33 1tko h ALA 82 N -1.34 1.83 0.00 1.53 0.00 -1.09 0.18 119.26 120.36 1tko h ALA 82 Ca -0.13 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1tko h ALA 82 Cb 0.94 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1tko h ALA 82 CO 0.21 -0.29 -0.46 0.93 0.00 0.00 0.00 179.25 179.64 1tko h GLU 83 N 0.58 0.00 0.03 0.00 5.08 -1.21 -2.13 114.58 116.93 1tko h GLU 83 Ca 0.64 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.76 1tko h GLU 83 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1tko h GLU 83 CO -0.45 0.46 -1.02 -0.09 -1.00 0.00 0.00 179.01 176.91 1tko h ARG 84 N 0.00 0.40 0.46 2.33 9.65 0.43 -1.79 114.38 125.87 1tko h ARG 84 Ca -0.00 -0.48 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 1tko h ARG 84 Cb 1.29 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 1tko h ARG 84 CO 0.06 1.15 -0.22 0.28 2.80 0.00 0.00 179.97 184.04 1tko h VAL 85 N 0.21 0.54 -0.22 0.20 2.07 -0.77 -1.06 116.25 117.21 1tko h VAL 85 Ca -0.10 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1tko h VAL 85 Cb 1.67 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1tko h VAL 85 CO 0.18 0.03 0.16 -0.61 0.02 0.00 0.00 177.57 177.35 1tko h GLN 86 N -0.72 0.02 -0.27 1.57 -0.00 -1.42 -0.24 115.11 114.05 1tko h GLN 86 Ca -0.06 -0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.40 1tko h GLN 86 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1tko h GLN 86 CO 0.10 0.01 -0.54 0.00 0.00 0.00 0.00 178.83 178.40 1tko h ALA 87 N 1.89 0.51 -0.00 3.38 0.00 -0.92 -2.87 119.26 121.25 1tko h ALA 87 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1tko h ALA 87 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1tko h ALA 87 CO -0.00 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.21 1tko n LEU 88 N -4.00 0.69 0.00 0.00 4.77 -0.21 -4.63 117.00 113.62 1tko n LEU 88 Ca -0.04 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1tko n LEU 88 Cb 0.62 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1tko n LEU 88 CO 0.50 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1tko n GLY 89 N 0.16 0.83 0.96 -0.72 0.00 -1.08 -2.90 105.19 102.44 1tko n GLY 89 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1tko n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tko n GLY 90 N -2.24 0.06 2.81 -0.02 0.00 -0.57 -2.20 105.19 103.04 1tko n GLY 90 Ca 0.00 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1tko n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tko s VAL 91 N -0.98 1.13 0.43 1.61 1.01 -1.25 -4.23 120.40 118.12 1tko s VAL 91 Ca 0.17 -1.37 -0.25 0.00 0.00 0.00 0.00 61.98 60.53 1tko s VAL 91 Cb -0.01 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 1tko s VAL 91 CO 0.12 -0.49 1.34 -2.16 0.00 0.00 0.00 175.10 173.90 1tko s PRO 92 N 1.52 3.83 0.53 2.72 0.04 -1.26 -4.65 135.00 137.72 1tko s PRO 92 Ca 0.05 2.22 -0.22 0.00 0.04 0.00 0.00 61.00 63.09 1tko s PRO 92 Cb -0.18 -2.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1tko s PRO 92 CO -0.17 -0.63 1.35 0.72 0.04 0.00 0.00 177.00 178.31 1tko n HIS 93 N -0.06 2.28 0.04 0.56 8.25 -1.26 -4.94 115.22 120.09 1tko n HIS 93 Ca 0.05 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1tko n HIS 93 Cb 0.43 -2.37 0.00 0.00 1.12 0.00 0.00 29.99 29.18 1tko n HIS 93 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tko n ALA 94 N -0.91 3.00 -1.75 -1.41 0.00 -1.26 -4.97 120.51 113.21 1tko n ALA 94 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.17 1tko n ALA 94 Cb 0.44 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.10 1tko n ALA 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1tko s SER 95 N -5.19 5.27 0.29 0.00 1.04 -1.26 -4.81 113.70 109.03 1tko s SER 95 Ca 0.00 2.49 0.01 0.00 0.48 0.00 0.00 55.95 58.93 1tko s SER 95 Cb 0.00 -2.61 0.52 0.00 0.10 0.00 0.00 66.02 64.03 1tko s SER 95 CO 0.00 -1.55 1.88 -0.65 0.98 0.00 0.00 173.24 173.90 1tko h PRO 96 N 1.13 1.01 0.06 4.02 0.11 -1.99 -0.01 132.00 136.34 1tko h PRO 96 Ca -0.50 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1tko h PRO 96 Cb 1.30 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1tko h PRO 96 CO 0.56 0.67 -0.03 1.49 -0.21 0.00 0.00 178.00 180.48 1tko h GLU 97 N 1.04 -0.08 -0.52 1.05 4.81 -2.00 -1.98 114.58 116.90 1tko h GLU 97 Ca 0.44 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1tko h GLU 97 Cb 0.31 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1tko h GLU 97 CO -0.19 -0.04 0.28 1.15 -0.73 0.00 0.00 179.01 179.47 1tko h THR 98 N -0.09 1.18 -0.21 0.32 2.02 -1.76 -1.88 112.91 112.49 1tko h THR 98 Ca -0.01 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.72 1tko h THR 98 Cb 0.07 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1tko h THR 98 CO 0.01 0.20 0.02 -0.07 0.37 0.00 0.00 175.52 176.05 1tko h LEU 99 N 0.69 -0.03 -0.38 2.58 3.38 -0.82 0.99 115.31 121.73 1tko h LEU 99 Ca 0.18 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1tko h LEU 99 Cb 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1tko h LEU 99 CO -0.03 0.01 -0.04 -0.61 0.09 0.00 0.00 178.44 177.87 1tko h GLN 100 N 0.10 0.69 0.13 1.13 4.15 -1.29 -1.50 115.11 118.52 1tko h GLN 100 Ca 0.10 -0.24 0.02 0.00 0.77 0.00 0.00 58.65 59.30 1tko h GLN 100 Cb 0.10 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 1tko h GLN 100 CO -0.14 0.81 -0.31 0.00 -1.93 0.00 0.00 178.83 177.26 1tko h ALA 101 N 0.86 -0.53 0.00 3.38 0.00 -1.09 -1.89 119.26 119.99 1tko h ALA 101 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1tko h ALA 101 Cb 0.52 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1tko h ALA 101 CO 0.03 -0.85 0.00 0.93 0.00 0.00 0.00 179.25 179.35 1tko h GLU 102 N -0.54 0.00 -6.69 0.00 4.39 -0.74 -3.44 114.58 107.56 1tko h GLU 102 Ca 0.03 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.22 1tko h GLU 102 Cb 0.56 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1tko h GLU 102 CO -0.18 0.00 0.43 0.00 -1.16 0.00 0.00 179.01 178.10 1tko s ALA 103 N -3.49 3.35 -2.17 3.43 0.00 -0.57 -4.83 121.76 117.47 1tko s ALA 103 Ca 0.01 0.75 0.23 0.00 0.00 0.00 0.00 51.96 52.95 1tko s ALA 103 Cb 0.09 -3.30 0.58 0.00 0.00 0.00 0.00 23.12 20.48 1tko s ALA 103 CO 0.36 -0.07 1.50 -1.13 0.00 0.00 0.00 175.76 176.42 1tko n SER 104 N 2.00 3.80 -5.00 0.00 3.41 -1.26 -4.98 113.62 111.59 1tko n SER 104 Ca 0.01 -2.00 -0.18 0.00 -0.26 0.00 0.00 58.87 56.44 1tko n SER 104 Cb 0.47 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1tko n SER 104 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1tko s VAL 105 N -1.18 3.22 -0.38 -3.33 -7.23 -1.26 -5.07 120.40 105.17 1tko s VAL 105 Ca 0.46 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 59.39 1tko s VAL 105 Cb 0.25 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 34.11 1tko s VAL 105 CO 0.33 -0.04 0.73 -1.81 -0.31 0.00 0.00 175.10 174.00 1tko s ASP 106 N -4.30 6.48 -0.10 4.85 1.01 -1.26 -5.05 116.67 118.30 1tko s ASP 106 Ca 0.52 0.18 -0.10 0.00 0.71 0.00 0.00 52.55 53.87 1tko s ASP 106 Cb -0.10 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 1tko s ASP 106 CO 0.32 -0.72 0.22 0.54 0.21 0.00 0.00 175.17 175.74 1tko s VAL 107 N 2.99 5.36 0.45 -1.27 0.11 -1.26 -4.92 120.40 121.86 1tko s VAL 107 Ca 0.28 0.39 -0.23 0.00 -2.93 0.00 0.00 61.98 59.49 1tko s VAL 107 Cb -0.13 -3.50 -0.08 0.00 -1.53 0.00 0.00 36.38 31.13 1tko s VAL 107 CO 0.17 0.57 1.15 -1.61 -3.33 0.00 0.00 175.10 172.05 1tko s GLU 108 N -0.79 3.84 0.87 1.54 2.02 -1.26 -5.02 118.70 119.90 1tko s GLU 108 Ca 0.17 1.74 -0.11 0.00 0.02 0.00 0.00 54.97 56.79 1tko s GLU 108 Cb -0.13 -2.45 0.11 0.00 0.10 0.00 0.00 34.13 31.76 1tko s GLU 108 CO 0.06 -0.47 1.09 0.16 0.02 0.00 0.00 175.26 176.12 1tko s ASP 109 N -1.37 3.67 0.00 -0.19 3.84 -1.26 -4.83 116.67 116.54 1tko s ASP 109 Ca 0.62 1.59 0.00 0.00 -0.00 0.00 0.00 52.55 54.77 1tko s ASP 109 Cb -0.28 -2.27 0.00 0.00 -1.38 0.00 0.00 42.92 38.99 1tko s ASP 109 CO 0.34 -2.53 0.00 -0.62 -0.00 0.00 0.00 175.17 172.36 1tko n GLU 110 N -3.82 0.00 -2.81 2.11 -0.58 -1.26 -4.74 120.64 109.54 1tko n GLU 110 Ca 0.08 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.57 1tko n GLU 110 Cb 0.55 -0.99 0.01 0.00 -0.57 0.00 0.00 31.44 30.44 1tko n GLU 110 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1tko s ASP 111 N -1.49 5.86 -0.25 1.62 1.01 -1.26 -5.07 116.67 117.09 1tko s ASP 111 Ca 0.00 0.49 -0.07 0.00 0.71 0.00 0.00 52.55 53.69 1tko s ASP 111 Cb 0.00 -1.71 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 1tko s ASP 111 CO 0.00 -0.75 0.05 -0.69 0.21 0.00 0.00 175.17 173.99 1tko s VAL 112 N -2.68 4.16 0.31 -1.27 1.01 -1.26 -5.08 120.40 115.59 1tko s VAL 112 Ca 0.49 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1tko s VAL 112 Cb -0.10 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1tko s VAL 112 CO 0.41 0.35 0.30 -0.31 0.00 0.00 0.00 175.10 175.84 1tko s TYR 113 N 1.59 3.00 1.00 5.22 1.51 -1.26 -5.09 117.35 123.32 1tko s TYR 113 Ca 0.06 -0.24 -0.13 0.00 -1.01 0.00 0.00 57.07 55.75 1tko s TYR 113 Cb -0.15 -1.73 0.09 0.00 -0.11 0.00 0.00 41.96 40.06 1tko s TYR 113 CO 0.03 0.24 0.51 -0.40 -1.11 0.00 0.00 175.55 174.81 1tko n ASP 114 N -1.37 -1.69 -0.07 2.29 5.75 -1.26 -4.67 116.55 115.52 1tko n ASP 114 Ca -0.03 0.20 -0.02 0.00 -0.01 0.00 0.00 54.79 54.93 1tko n ASP 114 Cb 0.59 -1.21 0.23 0.00 -1.03 0.00 0.00 41.12 39.70 1tko n ASP 114 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1tko h ILE 115 N -1.84 1.22 -0.53 2.12 6.09 -1.99 -2.34 117.51 120.24 1tko h ILE 115 Ca -0.47 -0.85 -0.09 0.00 -1.37 0.00 0.00 64.86 62.08 1tko h ILE 115 Cb 1.30 0.83 -0.02 0.00 0.47 0.00 0.00 36.82 39.40 1tko h ILE 115 CO 0.38 0.30 -0.01 0.03 -3.07 0.00 0.00 178.15 175.78 1tko h ARG 116 N 0.67 0.92 0.22 2.19 3.08 -1.99 0.33 114.38 119.79 1tko h ARG 116 Ca 0.14 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1tko h ARG 116 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1tko h ARG 116 CO 0.01 0.92 -0.10 1.15 -1.07 0.00 0.00 179.97 180.87 1tko h THR 117 N 0.84 0.86 0.19 2.04 2.02 -1.87 -0.96 112.91 116.04 1tko h THR 117 Ca 0.16 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1tko h THR 117 Cb 0.52 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1tko h THR 117 CO 0.03 0.13 -0.38 0.28 0.37 0.00 0.00 175.52 175.95 1tko h SER 118 N -0.59 -1.09 -0.76 4.18 0.02 -1.34 0.68 113.55 114.66 1tko h SER 118 Ca -0.03 0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.16 1tko h SER 118 Cb 0.43 0.40 -0.09 0.00 0.14 0.00 0.00 62.40 63.28 1tko h SER 118 CO 0.05 -0.48 0.34 -0.07 -1.14 0.00 0.00 176.83 175.54 1tko h LEU 119 N -0.66 0.38 -1.16 5.07 4.07 -0.97 0.61 115.31 122.65 1tko h LEU 119 Ca 0.01 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.08 1tko h LEU 119 Cb 0.66 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.39 1tko h LEU 119 CO -0.18 0.18 0.57 0.00 -1.08 0.00 0.00 178.44 177.93 1tko h ALA 120 N 1.51 1.40 -0.50 1.53 0.00 -0.24 -0.37 119.26 122.59 1tko h ALA 120 Ca 0.40 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1tko h ALA 120 Cb 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1tko h ALA 120 CO -0.35 0.54 -0.10 -0.91 0.00 0.00 0.00 179.25 178.43 1tko h ASN 121 N 1.15 0.96 -0.56 0.00 2.35 0.13 -2.74 115.58 116.87 1tko h ASN 121 Ca 0.32 -0.35 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 1tko h ASN 121 Cb -0.10 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 1tko h ASN 121 CO -0.08 1.09 -0.03 0.44 -1.65 0.00 0.00 177.43 177.21 1tko h ASP 122 N 0.82 1.00 -0.86 5.81 3.32 -0.54 -1.98 116.42 123.99 1tko h ASP 122 Ca 0.13 -0.29 0.08 0.00 0.02 0.00 0.00 57.03 56.97 1tko h ASP 122 Cb 0.66 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1tko h ASP 122 CO 0.05 1.07 0.56 -0.03 -1.72 0.00 0.00 179.24 179.16 1tko h MET 123 N 0.93 0.85 -0.33 3.56 4.05 -0.99 0.11 114.93 123.11 1tko h MET 123 Ca 0.16 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1tko h MET 123 Cb 0.58 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1tko h MET 123 CO 0.03 0.57 0.14 0.00 0.23 0.00 0.00 176.91 177.88 1tko h ALA 124 N 1.56 0.43 -0.72 0.39 0.00 -1.07 -1.20 119.26 118.64 1tko h ALA 124 Ca 0.39 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1tko h ALA 124 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1tko h ALA 124 CO -0.15 0.02 0.25 0.82 0.00 0.00 0.00 179.25 180.19 1tko h ILE 125 N 0.39 1.26 -0.15 0.00 2.04 -0.56 -2.77 117.51 117.71 1tko h ILE 125 Ca 0.11 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1tko h ILE 125 Cb 0.17 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1tko h ILE 125 CO -0.01 0.34 0.09 1.88 0.00 0.00 0.00 178.15 180.45 1tko h TYR 126 N 1.05 0.17 -0.57 1.37 -1.99 -0.60 -2.18 116.97 114.23 1tko h TYR 126 Ca 0.24 0.01 0.10 0.00 2.00 0.00 0.00 58.73 61.08 1tko h TYR 126 Cb 0.27 -0.06 -0.08 0.00 2.00 0.00 0.00 36.73 38.86 1tko h TYR 126 CO 0.02 0.11 0.12 0.78 -0.00 0.00 0.00 178.16 179.19 1tko h GLY 127 N 0.19 0.72 0.99 3.88 0.00 -1.02 0.44 103.07 108.27 1tko h GLY 127 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1tko h GLY 127 CO -0.02 -0.10 0.13 -0.55 0.00 0.00 0.00 176.54 176.00 1tko h ASP 128 N 0.25 0.80 -0.37 0.19 3.32 -1.28 -1.22 116.42 118.12 1tko h ASP 128 Ca 0.30 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1tko h ASP 128 Cb 0.43 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1tko h ASP 128 CO -0.38 0.82 -0.09 0.40 -1.72 0.00 0.00 179.24 178.27 1tko h ILE 129 N 0.74 1.26 -0.52 0.35 2.04 -0.72 -1.28 117.51 119.37 1tko h ILE 129 Ca 0.17 -1.16 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 1tko h ILE 129 Cb 0.33 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1tko h ILE 129 CO 0.00 0.40 0.07 0.40 0.00 0.00 0.00 178.15 179.02 1tko h ILE 130 N 0.73 1.25 -0.21 -0.67 2.04 0.19 -1.25 117.51 119.59 1tko h ILE 130 Ca 0.13 -0.97 -0.19 0.00 1.00 0.00 0.00 64.86 64.82 1tko h ILE 130 Cb 0.58 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1tko h ILE 130 CO 0.04 0.35 -0.62 -0.33 0.00 0.00 0.00 178.15 177.58 1tko h GLU 131 N 0.74 0.79 -0.77 2.37 5.08 -1.10 -2.50 114.58 119.21 1tko h GLU 131 Ca 0.15 -0.57 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1tko h GLU 131 Cb 0.42 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1tko h GLU 131 CO 0.01 1.19 0.40 0.00 -1.00 0.00 0.00 179.01 179.62 1tko h ALA 132 N 0.60 1.26 -0.28 3.43 0.00 -1.21 -2.79 119.26 120.28 1tko h ALA 132 Ca -0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1tko h ALA 132 Cb 1.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1tko h ALA 132 CO 0.13 0.59 -0.45 1.15 0.00 0.00 0.00 179.25 180.67 1tko h THR 133 N 1.08 1.29 -0.89 0.00 2.02 -1.19 -2.24 112.91 112.98 1tko h THR 133 Ca 0.27 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 1tko h THR 133 Cb 0.06 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1tko h THR 133 CO -0.04 0.53 0.55 0.03 0.37 0.00 0.00 175.52 176.96 1tko h ARG 134 N 0.57 1.19 -0.24 6.66 3.08 -1.18 -1.76 114.38 122.70 1tko h ARG 134 Ca 0.04 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1tko h ARG 134 Cb 1.00 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1tko h ARG 134 CO 0.10 0.82 -0.40 0.93 -1.07 0.00 0.00 179.97 180.35 1tko h GLU 135 N 1.21 0.69 -0.05 0.04 5.08 -1.40 -3.17 114.58 116.98 1tko h GLU 135 Ca 0.32 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1tko h GLU 135 Cb -0.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1tko h GLU 135 CO -0.06 1.04 -0.11 0.45 -1.00 0.00 0.00 179.01 179.33 1tko h HIS 136 N 0.41 0.07 -0.23 4.33 3.86 -1.01 -0.14 115.15 122.43 1tko h HIS 136 Ca 0.02 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 1tko h HIS 136 Cb 0.99 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 1tko h HIS 136 CO 0.08 0.18 -0.46 1.79 0.86 0.00 0.00 177.93 180.38 1tko h THR 137 N 0.07 1.31 -0.15 2.45 1.35 -1.31 -0.61 112.91 116.02 1tko h THR 137 Ca 0.02 -1.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.18 1tko h THR 137 Cb 0.24 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1tko h THR 137 CO 0.02 0.52 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.47 1tko h GLU 138 N 0.48 0.27 -0.97 4.72 5.08 -1.33 0.68 114.58 123.51 1tko h GLU 138 Ca 0.03 -0.09 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1tko h GLU 138 Cb 0.99 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.13 1tko h GLU 138 CO 0.09 0.51 0.58 1.25 -1.00 0.00 0.00 179.01 180.44 1tko h LEU 139 N -0.00 0.79 -0.09 1.33 5.85 -0.89 0.18 115.31 122.47 1tko h LEU 139 Ca 0.04 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1tko h LEU 139 Cb 0.39 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1tko h LEU 139 CO 0.01 0.36 -0.27 0.00 -0.34 0.00 0.00 178.44 178.20 1tko h ALA 140 N 1.58 0.16 -0.91 1.25 0.00 -0.73 -1.28 119.26 119.32 1tko h ALA 140 Ca 0.52 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1tko h ALA 140 Cb 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1tko h ALA 140 CO -0.33 0.17 0.54 0.93 0.00 0.00 0.00 179.25 180.56 1tko h GLU 141 N -0.11 1.24 -0.47 0.00 4.39 -0.20 -0.29 114.58 119.13 1tko h GLU 141 Ca -0.01 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 1tko h GLU 141 Cb 0.89 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1tko h GLU 141 CO 0.06 0.88 0.05 -0.91 -1.16 0.00 0.00 179.01 177.92 1tko h ASN 142 N 1.26 0.77 0.00 1.42 -0.26 -0.66 -1.83 115.58 116.28 1tko h ASN 142 Ca 0.32 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1tko h ASN 142 Cb -0.03 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.02 1tko h ASN 142 CO -0.06 0.86 0.00 0.18 -1.06 0.00 0.00 177.43 177.35 1tko n LEU 143 N -4.41 0.00 0.00 1.61 4.77 -0.49 -4.81 117.00 113.67 1tko n LEU 143 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1tko n LEU 143 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1tko n LEU 143 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1tko n GLY 144 N 0.13 0.70 3.35 -0.72 0.00 -0.69 -4.94 105.19 103.03 1tko n GLY 144 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1tko n GLY 144 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tko n ASP 145 N -0.05 5.15 0.03 1.61 4.64 -0.16 -4.81 116.55 122.96 1tko n ASP 145 Ca 0.00 -3.00 0.00 0.00 -1.38 0.00 0.00 54.79 50.41 1tko n ASP 145 Cb 0.03 -1.57 0.31 0.00 -1.04 0.00 0.00 41.12 38.84 1tko n ASP 145 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 1tko h HIS 146 N 6.88 0.48 0.39 -0.67 3.86 -1.88 -2.29 115.15 121.91 1tko h HIS 146 Ca 0.35 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 1tko h HIS 146 Cb 0.82 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1tko h HIS 146 CO 1.16 0.52 -0.19 0.00 0.86 0.00 0.00 177.93 180.27 1tko h ALA 147 N 1.51 -0.53 -0.82 2.45 0.00 -1.94 0.19 119.26 120.11 1tko h ALA 147 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1tko h ALA 147 Cb 0.38 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1tko h ALA 147 CO 0.02 -0.80 0.44 1.15 0.00 0.00 0.00 179.25 180.06 1tko h THR 148 N -0.53 1.24 0.24 0.00 2.02 -1.93 -0.70 112.91 113.25 1tko h THR 148 Ca -0.05 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1tko h THR 148 Cb 0.41 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1tko h THR 148 CO 0.08 0.28 -0.11 0.00 0.37 0.00 0.00 175.52 176.13 1tko h ALA 149 N 1.33 -0.32 -0.39 6.16 0.00 -1.16 -1.38 119.26 123.50 1tko h ALA 149 Ca 0.29 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1tko h ALA 149 Cb 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1tko h ALA 149 CO -0.04 -0.66 0.01 1.25 0.00 0.00 0.00 179.25 179.81 1tko h HIS 150 N -0.36 -0.01 0.22 0.00 -0.00 -0.23 -1.81 115.15 112.96 1tko h HIS 150 Ca -0.03 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1tko h HIS 150 Cb 0.28 0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.72 1tko h HIS 150 CO -0.05 -0.07 -0.39 1.98 -0.00 0.00 0.00 177.93 179.41 1tko h MET 151 N 0.11 -0.66 -0.89 5.26 -1.53 -0.99 -1.45 114.93 114.78 1tko h MET 151 Ca 0.19 0.05 0.21 0.00 -3.44 0.00 0.00 59.70 56.70 1tko h MET 151 Cb 0.27 0.15 -0.12 0.00 -0.55 0.00 0.00 31.60 31.35 1tko h MET 151 CO -0.32 -0.44 0.41 -0.07 0.14 0.00 0.00 176.91 176.63 1tko h LEU 152 N -0.69 0.38 -0.29 3.39 3.38 -0.73 -0.01 115.31 120.74 1tko h LEU 152 Ca 0.00 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1tko h LEU 152 Cb 0.67 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1tko h LEU 152 CO -0.16 0.04 0.07 0.03 0.09 0.00 0.00 178.44 178.51 1tko h ARG 153 N 0.45 0.47 -0.81 1.13 3.08 -0.89 0.35 114.38 118.15 1tko h ARG 153 Ca 0.54 -0.11 0.09 0.00 0.07 0.00 0.00 59.98 60.57 1tko h ARG 153 Cb 0.99 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.90 1tko h ARG 153 CO -0.49 0.55 0.46 0.93 -1.07 0.00 0.00 179.97 180.35 1tko h GLU 154 N 0.31 0.76 0.02 0.04 4.39 0.01 0.02 114.58 120.13 1tko h GLU 154 Ca 0.09 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.51 1tko h GLU 154 Cb 0.29 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1tko h GLU 154 CO 0.00 0.50 -1.00 0.78 -1.16 0.00 0.00 179.01 178.13 1tko h GLY 155 N 0.78 0.50 0.70 -3.84 0.00 -0.99 -3.27 103.07 96.95 1tko h GLY 155 Ca 0.39 -0.91 0.05 0.00 0.00 0.00 0.00 47.33 46.86 1tko h GLY 155 CO -0.24 0.81 0.26 -2.00 0.00 0.00 0.00 176.54 175.36 1tko h LEU 156 N 0.24 0.37 -0.91 3.11 5.85 0.56 -1.20 115.31 123.34 1tko h LEU 156 Ca -0.10 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.77 1tko h LEU 156 Cb 1.65 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.56 1tko h LEU 156 CO 0.18 0.25 0.54 -0.29 -0.34 0.00 0.00 178.44 178.78 1tko h ILE 157 N 0.51 0.87 -0.10 4.05 -0.00 -1.08 -0.58 117.51 121.18 1tko h ILE 157 Ca 0.23 -0.29 -0.04 0.00 -0.00 0.00 0.00 64.86 64.77 1tko h ILE 157 Cb 0.15 -0.04 -0.00 0.00 -0.00 0.00 0.00 36.82 36.93 1tko h ILE 157 CO -0.17 0.15 -0.09 -0.33 -0.00 0.00 0.00 178.15 177.72 1tko h GLU 158 N 0.84 0.24 -0.74 2.19 4.39 -1.40 -2.86 114.58 117.25 1tko h GLU 158 Ca 0.46 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 60.09 1tko h GLU 158 Cb 0.49 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 1tko h GLU 158 CO -0.28 0.65 0.44 -0.07 -1.16 0.00 0.00 179.01 178.59 1tko h LEU 159 N -0.16 0.69 -1.17 1.33 4.07 -0.81 -2.12 115.31 117.15 1tko h LEU 159 Ca 0.02 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 1tko h LEU 159 Cb 0.60 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1tko h LEU 159 CO 0.02 0.45 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.39 1tko h GLU 160 N 0.82 0.44 -0.28 1.13 5.08 -1.13 -1.63 114.58 119.03 1tko h GLU 160 Ca 0.32 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.42 1tko h GLU 160 Cb 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1tko h GLU 160 CO -0.16 0.56 -0.42 0.22 -1.00 0.00 0.00 179.01 178.21 1tko h ASP 161 N 0.42 0.72 0.28 1.42 -0.00 -1.16 -1.19 116.42 116.91 1tko h ASP 161 Ca 0.08 -0.33 -0.14 0.00 -0.00 0.00 0.00 57.03 56.64 1tko h ASP 161 Cb 0.45 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.57 1tko h ASP 161 CO 0.03 1.05 -0.55 0.44 -0.00 0.00 0.00 179.24 180.21 1tko h ASP 162 N 0.55 0.32 -0.21 2.28 3.32 -1.15 -1.70 116.42 119.84 1tko h ASP 162 Ca 0.04 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1tko h ASP 162 Cb 0.95 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1tko h ASP 162 CO 0.09 0.81 -0.24 0.00 -1.72 0.00 0.00 179.24 178.18 1tko h ALA 163 N 1.20 0.31 0.00 3.45 0.00 -1.17 -2.60 119.26 120.44 1tko h ALA 163 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1tko h ALA 163 Cb 1.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1tko h ALA 163 CO 0.09 0.28 -0.13 1.25 0.00 0.00 0.00 179.25 180.74 1tko h HIS 164 N 0.21 0.00 -0.23 0.00 -0.00 -1.13 -1.39 115.15 112.60 1tko h HIS 164 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 1tko h HIS 164 Cb 0.80 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.21 1tko h HIS 164 CO 0.08 0.13 -0.25 0.45 -0.00 0.00 0.00 177.93 178.34 1tko h HIS 165 N 0.00 0.70 -0.66 5.26 -0.00 -1.15 -2.20 115.15 117.10 1tko h HIS 165 Ca -0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1tko h HIS 165 Cb 0.22 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1tko h HIS 165 CO 0.00 0.92 0.42 0.82 -0.00 0.00 0.00 177.93 180.09 1tko h ILE 166 N 0.28 1.17 -0.22 2.45 2.04 -1.00 -1.13 117.51 121.10 1tko h ILE 166 Ca 0.03 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1tko h ILE 166 Cb 0.81 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1tko h ILE 166 CO 0.06 0.17 -0.10 -0.08 0.00 0.00 0.00 178.15 178.21 1tko h GLU 167 N 0.90 0.35 0.00 2.37 4.81 -1.03 -2.45 114.58 119.53 1tko h GLU 167 Ca 0.24 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.23 1tko h GLU 167 Cb -0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1tko h GLU 167 CO -0.05 0.46 -0.75 0.45 -0.73 0.00 0.00 179.01 178.39 1tko h HIS 168 N 0.34 0.00 -0.18 0.92 3.86 -0.61 -2.74 115.15 116.74 1tko h HIS 168 Ca 0.07 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 1tko h HIS 168 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1tko h HIS 168 CO 0.01 0.75 -0.39 1.88 0.86 0.00 0.00 177.93 181.04 1tko h TYR 169 N 0.00 0.47 0.00 2.45 0.05 -0.88 -3.05 116.97 116.01 1tko h TYR 169 Ca -0.01 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1tko h TYR 169 Cb 1.45 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.09 1tko h TYR 169 CO 0.00 0.73 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.55 1tko h LEU 170 N 0.34 0.00 -9.81 3.88 3.38 -1.38 -3.47 115.31 108.25 1tko h LEU 170 Ca 0.03 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 1tko h LEU 170 Cb 0.83 0.00 0.21 0.00 0.09 0.00 0.00 40.66 41.79 1tko h LEU 170 CO 0.07 0.03 -0.51 -0.62 0.09 0.00 0.00 178.44 177.49 1tko n GLU 171 N -2.36 -0.26 -2.55 1.13 -0.58 -1.04 -4.88 120.64 110.10 1tko n GLU 171 Ca 0.04 -0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 1tko n GLU 171 Cb 0.45 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1tko n GLU 171 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1tko n ASP 172 N -1.43 5.36 -3.72 1.62 5.75 -1.26 -4.93 116.55 117.95 1tko n ASP 172 Ca 0.07 -3.15 -0.10 0.00 -0.01 0.00 0.00 54.79 51.60 1tko n ASP 172 Cb 0.53 -1.45 -0.05 0.00 -1.03 0.00 0.00 41.12 39.13 1tko n ASP 172 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1tko s ASP 173 N 0.60 -0.21 -0.15 -1.12 -1.08 -1.26 -5.18 116.67 108.27 1tko s ASP 173 Ca 0.38 -0.46 -0.34 0.00 -0.52 0.00 0.00 52.55 51.61 1tko s ASP 173 Cb 0.07 0.51 0.14 0.00 -1.46 0.00 0.00 42.92 42.18 1tko s ASP 173 CO 0.02 -0.94 1.29 0.28 0.52 0.00 0.00 175.17 176.34 1tko s THR 174 N -3.85 0.00 -0.19 1.71 -1.32 -1.26 -5.00 115.64 105.72 1tko s THR 174 Ca 0.07 -0.07 0.20 0.00 -1.21 0.00 0.00 61.69 60.69 1tko s THR 174 Cb 0.01 -1.42 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 1tko s THR 174 CO -0.07 0.00 0.98 -0.07 -2.21 0.00 0.00 174.62 173.25 1tko h LEU 175 N 2.00 0.00 -9.79 9.08 3.38 -2.04 -3.46 115.31 114.47 1tko h LEU 175 Ca -0.17 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.26 1tko h LEU 175 Cb 1.17 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.01 1tko h LEU 175 CO 0.24 0.23 0.85 0.52 0.09 0.00 0.00 178.44 180.38 1tko n VAL 176 N -2.78 1.11 -4.38 1.22 0.31 -1.26 -5.01 118.33 107.55 1tko n VAL 176 Ca -0.04 -0.28 -0.28 0.00 -0.01 0.00 0.00 64.34 63.74 1tko n VAL 176 Cb 0.66 -1.93 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 1tko n VAL 176 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1tko s THR 177 N -0.11 2.16 0.43 2.52 -4.23 -1.26 -5.01 115.64 110.13 1tko s THR 177 Ca 0.63 -1.71 0.19 0.00 -1.18 0.00 0.00 61.69 59.61 1tko s THR 177 Cb -0.50 -1.91 0.39 0.00 1.34 0.00 0.00 72.50 71.81 1tko s THR 177 CO 0.50 0.07 1.86 -0.61 -0.54 0.00 0.00 174.62 175.90 1tko h GLN 178 N 3.93 0.36 0.39 3.99 5.75 -2.01 -1.61 115.11 125.92 1tko h GLN 178 Ca -0.50 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 1tko h GLN 178 Cb 1.17 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 1tko h GLN 178 CO 0.39 0.24 -0.28 0.78 -2.65 0.00 0.00 178.83 177.31 1tko h GLY 179 N 0.37 -0.94 0.03 2.39 0.00 -2.01 -2.65 103.07 100.27 1tko h GLY 179 Ca 0.46 0.40 0.27 0.00 0.00 0.00 0.00 47.33 48.46 1tko h GLY 179 CO -0.16 -0.31 0.73 0.00 0.00 0.00 0.00 176.54 176.79 1tko h ALA 180 N -1.41 2.84 0.00 3.60 0.00 -1.72 -3.55 119.26 119.01 1tko h ALA 180 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tko h ALA 180 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tko h ALA 180 CO 0.02 -1.21 0.00 1.28 0.00 0.00 0.00 179.25 179.35