#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 -3.26 0.00 3.08 -2.09 -3.46 114.38 108.65 1tko h ARG 8 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1tko h ARG 8 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 1tko h ARG 8 CO 0.00 0.76 -0.16 0.00 -1.07 0.00 0.00 179.97 179.49 1tko s ALA 9 N -2.88 -0.82 -0.12 0.04 0.00 -1.26 -5.16 121.76 111.56 1tko s ALA 9 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1tko s ALA 9 Cb 0.09 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1tko s ALA 9 CO 0.78 -0.49 -0.15 0.99 0.00 0.00 0.00 175.76 176.89 1tko s THR 10 N -2.89 2.86 0.10 0.00 2.01 -1.26 -5.07 115.64 111.39 1tko s THR 10 Ca -0.03 -0.74 -0.36 0.00 0.31 0.00 0.00 61.69 60.87 1tko s THR 10 Cb 0.00 -2.18 -0.16 0.00 0.01 0.00 0.00 72.50 70.18 1tko s THR 10 CO -0.05 0.54 1.39 0.00 -0.69 0.00 0.00 174.62 175.80 1tko n ALA 11 N 3.39 -0.51 0.00 7.40 0.00 -1.26 -0.94 120.51 128.59 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 2.71 2.46 3.79 0.00 0.00 -1.26 -5.07 105.19 107.83 1tko n GLY 12 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.22 4.45 -0.41 1.61 2.02 -0.12 -4.98 118.70 121.05 1tko s GLU 13 Ca 0.00 1.15 0.02 0.00 0.02 0.00 0.00 54.97 56.16 1tko s GLU 13 Cb 0.00 -2.80 0.15 0.00 0.10 0.00 0.00 34.13 31.58 1tko s GLU 13 CO 0.00 0.31 0.27 0.08 0.02 0.00 0.00 175.26 175.94 1tko s VAL 14 N -1.61 0.66 -1.87 2.63 1.01 -1.26 -3.92 120.40 116.05 1tko s VAL 14 Ca 0.48 -2.32 0.16 0.00 0.00 0.00 0.00 61.98 60.30 1tko s VAL 14 Cb -0.17 -1.47 0.42 0.00 0.00 0.00 0.00 36.38 35.15 1tko s VAL 14 CO 0.22 -1.04 1.39 -1.84 0.00 0.00 0.00 175.10 173.84 1tko n GLU 15 N 3.47 0.44 0.00 2.72 0.28 -0.95 -4.67 120.64 121.93 1tko n GLU 15 Ca 0.17 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 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 0.02 -0.23 3.37 -1.84 0.00 -1.14 -4.43 105.19 100.94 1tko n GLY 16 Ca 0.11 -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 -0.54 0.11 1.61 0.15 0.13 -2.97 113.70 108.19 1tko s SER 17 Ca 0.00 1.13 -0.10 0.00 0.70 0.00 0.00 55.95 57.68 1tko s SER 17 Cb 0.00 1.41 -0.15 0.00 -1.71 0.00 0.00 66.02 65.58 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 7.82 0.79 -0.73 5.45 3.32 -1.90 0.69 116.42 131.86 1tko h ASP 18 Ca -0.22 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.22 1tko h ASP 18 Cb 1.13 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1tko h ASP 18 CO 0.16 1.38 0.37 0.00 -1.72 0.00 0.00 179.24 179.43 1tko h ALA 19 N 0.58 0.94 -0.13 3.45 0.00 -1.95 -2.06 119.26 120.08 1tko h ALA 19 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1tko h ALA 19 Cb 1.55 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1tko h ALA 19 CO 0.18 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1tko n LEU 20 N -4.44 1.43 -3.89 0.00 4.77 -1.23 -4.93 117.00 108.72 1tko n LEU 20 Ca 0.06 -0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 55.20 1tko n LEU 20 Cb 0.12 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1tko n LEU 20 CO 0.38 0.29 -0.14 0.54 -1.33 0.00 0.00 177.39 177.14 1tko n ARG 21 N 0.16 -3.98 -4.01 3.23 5.12 -0.77 -4.96 116.66 111.45 1tko n ARG 21 Ca 0.16 0.49 -0.31 0.00 -1.93 0.00 0.00 57.85 56.26 1tko n ARG 21 Cb 0.30 -4.85 -0.16 0.00 -1.16 0.00 0.00 32.46 26.59 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 -6.40 2.07 0.33 5.56 1.75 0.18 -5.03 119.30 117.75 1tko s MET 22 Ca 0.11 -0.93 -0.27 0.00 -1.25 0.00 0.00 55.69 53.35 1tko s MET 22 Cb -0.06 -2.51 -0.09 0.00 2.84 0.00 0.00 34.83 35.01 1tko s MET 22 CO 0.86 -0.45 1.06 0.16 -0.65 0.00 0.00 175.02 176.00 1tko s ASP 23 N 1.35 7.08 0.61 1.11 -4.77 -1.26 -0.69 116.67 120.09 1tko s ASP 23 Ca -0.02 2.14 0.23 0.00 -3.30 0.00 0.00 52.55 51.60 1tko s ASP 23 Cb -0.17 -2.61 1.27 0.00 -1.09 0.00 0.00 42.92 40.32 1tko s ASP 23 CO -0.08 -0.27 1.69 0.00 0.70 0.00 0.00 175.17 177.22 1tko h ALA 24 N 3.27 1.40 0.39 2.11 0.00 -1.83 0.27 119.26 124.85 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 -0.40 -0.19 0.22 0.00 0.00 0.00 179.25 179.54 1tko h ASP 25 N 0.00 -0.44 -0.14 0.00 1.82 -1.91 -2.39 116.42 113.37 1tko h ASP 25 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1tko h ASP 25 Cb 0.83 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 1tko h ASP 25 CO 0.00 0.00 0.06 0.03 -1.61 0.00 0.00 179.24 177.73 1tko h ARG 26 N -1.12 0.20 -0.35 0.28 3.08 -1.70 -3.25 114.38 111.51 1tko h ARG 26 Ca -0.05 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.01 1tko h ARG 26 Cb 0.42 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 1tko h ARG 26 CO 0.09 0.26 -0.56 0.00 -1.07 0.00 0.00 179.97 178.69 1tko h ALA 27 N 0.93 -0.80 -1.27 0.04 0.00 -1.09 -1.69 119.26 115.38 1tko h ALA 27 Ca 0.05 -0.01 0.37 0.00 0.00 0.00 0.00 54.91 55.31 1tko h ALA 27 Cb 0.13 1.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1tko h ALA 27 CO -0.01 -1.06 0.87 1.49 0.00 0.00 0.00 179.25 180.54 1tko h GLU 28 N -0.44 0.13 -0.37 0.00 4.81 -1.46 0.26 114.58 117.51 1tko h GLU 28 Ca 0.07 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1tko h GLU 28 Cb 0.62 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1tko h GLU 28 CO -0.56 0.09 0.09 1.96 -0.73 0.00 0.00 179.01 179.85 1tko h GLN 29 N 0.13 0.60 0.09 1.92 4.20 -1.40 -1.90 115.11 118.76 1tko h GLN 29 Ca 0.67 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 59.23 1tko h GLN 29 Cb 2.29 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.99 1tko h GLN 29 CO -0.18 0.64 -0.04 0.00 -0.67 0.00 0.00 178.83 178.58 1tko h VAL 31 N -0.62 0.54 0.02 0.00 2.07 -1.10 0.56 116.25 117.72 1tko h VAL 31 Ca -0.01 -0.06 -0.25 0.00 0.82 0.00 0.00 66.70 67.19 1tko h VAL 31 Cb 0.50 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1tko h VAL 31 CO 0.02 0.03 -1.03 0.44 0.02 0.00 0.00 177.57 177.05 1tko h ASP 32 N 0.18 0.70 0.17 0.57 5.19 -1.33 -1.71 116.42 120.19 1tko h ASP 32 Ca 0.50 -0.58 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1tko h ASP 32 Cb 1.65 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1tko h ASP 32 CO -0.11 1.39 -0.08 0.00 -3.12 0.00 0.00 179.24 177.31 1tko h ALA 33 N 0.56 -0.23 -0.11 3.45 0.00 -0.14 -2.90 119.26 119.90 1tko h ALA 33 Ca -0.11 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1tko h ALA 33 Cb 1.68 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1tko h ALA 33 CO 0.19 -0.40 -0.06 -0.07 0.00 0.00 0.00 179.25 178.90 1tko h LEU 34 N -0.69 -0.21 -2.22 0.00 3.38 -0.20 -2.09 115.31 113.27 1tko h LEU 34 Ca -0.02 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1tko h LEU 34 Cb 0.49 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1tko h LEU 34 CO 0.04 -0.09 0.02 -1.13 0.09 0.00 0.00 178.44 177.37 1tko h ASN 35 N -0.06 0.00 -0.30 -0.43 -0.73 -1.39 0.14 115.58 112.80 1tko h ASN 35 Ca 0.07 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.12 1tko h ASN 35 Cb 0.16 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1tko h ASN 35 CO -0.15 0.00 -0.26 0.00 -0.37 0.00 0.00 177.43 176.65 1tko h ALA 36 N 1.98 0.44 -0.35 1.57 0.00 -1.17 -3.03 119.26 118.70 1tko h ALA 36 Ca 0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1tko h ALA 36 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1tko h ALA 36 CO -0.00 0.43 -0.22 -0.44 0.00 0.00 0.00 179.25 179.01 1tko h ASP 37 N 0.45 0.81 -0.71 0.00 3.32 -0.73 -3.02 116.42 116.54 1tko h ASP 37 Ca 0.05 -0.43 0.15 0.00 0.02 0.00 0.00 57.03 56.83 1tko h ASP 37 Cb 0.82 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 40.04 1tko h ASP 37 CO 0.07 1.06 0.17 0.25 -1.72 0.00 0.00 179.24 179.07 1tko h LEU 38 N 0.56 0.02 -0.36 1.55 5.85 -0.78 0.17 115.31 122.31 1tko h LEU 38 Ca 0.07 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1tko h LEU 38 Cb 0.78 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1tko h LEU 38 CO 0.06 -0.02 0.13 0.00 -0.34 0.00 0.00 178.44 178.26 1tko h ALA 39 N 1.59 0.46 -0.58 1.25 0.00 -1.50 -0.97 119.26 119.51 1tko h ALA 39 Ca 0.40 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1tko h ALA 39 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1tko h ALA 39 CO -0.49 0.09 0.14 -0.91 0.00 0.00 0.00 179.25 178.08 1tko h ASN 40 N 0.43 0.87 -0.38 0.00 2.35 -1.09 -2.39 115.58 115.37 1tko h ASN 40 Ca 0.12 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 1tko h ASN 40 Cb 0.22 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1tko h ASN 40 CO -0.01 0.88 -0.13 0.58 -1.65 0.00 0.00 177.43 177.11 1tko h VAL 41 N 0.83 1.26 0.00 2.81 2.07 -0.62 -1.60 116.25 121.00 1tko h VAL 41 Ca 0.18 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1tko h VAL 41 Cb 0.34 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1tko h VAL 41 CO 0.00 0.42 -0.38 1.88 0.02 0.00 0.00 177.57 179.51 1tko h TYR 42 N 0.75 0.00 0.02 1.57 0.99 -1.00 0.22 116.97 119.52 1tko h TYR 42 Ca 0.12 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.63 1tko h TYR 42 Cb 0.63 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 1tko h TYR 42 CO 0.04 0.38 -1.04 -0.39 -0.00 0.00 0.00 178.16 177.14 1tko h VAL 43 N 0.00 1.68 -0.75 -2.88 -1.51 -1.26 -2.68 116.25 108.85 1tko h VAL 43 Ca -0.00 -3.36 -0.02 0.00 -1.23 0.00 0.00 66.70 62.08 1tko h VAL 43 Cb 0.83 2.87 -0.04 0.00 -2.13 0.00 0.00 31.29 32.82 1tko h VAL 43 CO 0.05 0.96 0.40 0.25 -1.23 0.00 0.00 177.57 178.01 1tko h LEU 44 N 0.01 0.95 0.14 4.19 5.85 -0.61 -0.50 115.31 125.34 1tko h LEU 44 Ca -0.03 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1tko h LEU 44 Cb 1.81 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 1tko h LEU 44 CO 0.14 0.78 -0.24 0.22 -0.34 0.00 0.00 178.44 179.00 1tko h TYR 45 N 1.04 -0.64 0.00 1.25 3.20 -0.49 -0.07 116.97 121.26 1tko h TYR 45 Ca 0.26 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1tko h TYR 45 Cb 0.05 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1tko h TYR 45 CO 0.00 -0.34 -0.18 0.45 -1.64 0.00 0.00 178.16 176.45 1tko h HIS 46 N -0.46 0.00 -0.02 -3.82 3.86 -1.12 -0.83 115.15 112.75 1tko h HIS 46 Ca 0.02 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.00 1tko h HIS 46 Cb 0.47 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.96 1tko h HIS 46 CO -0.21 0.18 -0.91 0.37 0.86 0.00 0.00 177.93 178.22 1tko h GLN 47 N 0.00 0.66 -0.73 2.45 4.15 -0.67 -1.81 115.11 119.15 1tko h GLN 47 Ca -0.00 -0.68 -0.05 0.00 0.77 0.00 0.00 58.65 58.69 1tko h GLN 47 Cb 0.32 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1tko h GLN 47 CO 0.02 1.27 0.26 -0.07 -1.93 0.00 0.00 178.83 178.38 1tko h LEU 48 N 0.31 1.02 0.31 -2.39 3.38 -0.70 -1.16 115.31 116.08 1tko h LEU 48 Ca -0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1tko h LEU 48 Cb 1.57 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1tko h LEU 48 CO 0.18 0.93 -0.16 0.11 0.09 0.00 0.00 178.44 179.58 1tko h LYS 49 N 1.07 -0.42 -0.52 1.13 1.79 -1.13 0.56 116.57 119.05 1tko h LYS 49 Ca 0.24 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.83 1tko h LYS 49 Cb 0.25 0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 1tko h LYS 49 CO -0.02 -0.28 -0.38 -0.22 -1.08 0.00 0.00 179.45 177.47 1tko h LYS 50 N -0.44 -0.22 0.00 3.15 3.64 -0.87 0.28 116.57 122.11 1tko h LYS 50 Ca -0.04 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1tko h LYS 50 Cb 0.35 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1tko h LYS 50 CO 0.06 -0.15 -0.20 0.45 -2.27 0.00 0.00 179.45 177.34 1tko h HIS 51 N -0.23 0.00 -0.09 1.91 3.86 -1.03 -1.01 115.15 118.56 1tko h HIS 51 Ca 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1tko h HIS 51 Cb 0.56 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1tko h HIS 51 CO -0.64 0.20 0.04 1.25 0.86 0.00 0.00 177.93 179.64 1tko h HIS 52 N 0.00 0.14 -0.55 2.45 -0.00 0.17 -0.80 115.15 116.56 1tko h HIS 52 Ca -0.00 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 1tko h HIS 52 Cb 0.36 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 1tko h HIS 52 CO 0.00 0.25 -0.04 -1.49 -0.00 0.00 0.00 177.93 176.65 1tko h TRP 53 N -0.01 1.11 0.00 5.26 6.55 -0.09 -3.36 115.95 125.41 1tko h TRP 53 Ca 0.03 -0.21 -0.27 0.00 0.95 0.00 0.00 58.89 59.39 1tko h TRP 53 Cb 0.17 -0.28 -0.05 0.00 -0.86 0.00 0.00 29.16 28.14 1tko h TRP 53 CO -0.02 1.01 -1.59 -0.91 -1.05 0.00 0.00 178.44 175.88 1tko h ASN 54 N 0.89 0.00 -1.25 -3.49 2.35 -1.16 -3.48 115.58 109.43 1tko h ASN 54 Ca 0.15 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 55.17 1tko h ASN 54 Cb 0.60 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.03 1tko h ASN 54 CO 0.04 0.97 0.02 0.55 -1.65 0.00 0.00 177.43 177.36 1tko n VAL 55 N -3.07 0.58 -4.26 2.81 3.14 -0.31 -4.98 118.33 112.23 1tko n VAL 55 Ca -0.14 -0.14 -0.15 0.00 -2.96 0.00 0.00 64.34 60.94 1tko n VAL 55 Cb 1.02 -0.25 -0.10 0.00 -1.06 0.00 0.00 33.84 33.45 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 -0.22 1.37 0.00 1.45 2.02 -1.26 -4.94 118.70 117.12 1tko s GLU 56 Ca 0.81 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1tko s GLU 56 Cb -1.09 0.05 0.00 0.00 0.10 0.00 0.00 34.13 33.19 1tko s GLU 56 CO 0.55 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1tko n GLY 57 N -0.41 -0.05 0.21 -1.39 0.00 -1.26 -4.51 105.19 97.80 1tko n GLY 57 Ca 0.02 -2.25 -0.15 0.00 0.00 0.00 0.00 46.02 43.64 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 0.40 -0.86 4.61 0.00 -2.07 -3.15 119.26 118.20 1tko h ALA 58 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 54.91 53.94 1tko h ALA 58 Cb 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 17.53 1tko h ALA 58 CO 0.00 0.70 0.46 0.39 0.00 0.00 0.00 179.25 180.81 1tko n GLU 59 N -3.92 2.85 0.13 0.00 4.71 -1.26 -4.68 120.64 118.47 1tko n GLU 59 Ca -0.06 -3.05 -0.14 0.00 -0.01 0.00 0.00 57.16 53.89 1tko n GLU 59 Cb 0.73 -2.18 -0.08 0.00 -1.01 0.00 0.00 31.44 28.90 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 1.70 -0.25 -0.43 -0.32 3.57 -1.77 -2.30 116.94 117.13 1tko h PHE 60 Ca 0.46 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.86 1tko h PHE 60 Cb 2.60 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 41.40 1tko h PHE 60 CO 1.44 -0.14 -0.12 -0.09 -2.23 0.00 0.00 178.31 177.17 1tko h ARG 61 N -0.28 0.79 -0.43 1.11 2.43 -1.85 0.23 114.38 116.38 1tko h ARG 61 Ca -0.03 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 1tko h ARG 61 Cb 0.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1tko h ARG 61 CO 0.04 0.87 0.22 0.22 -1.51 0.00 0.00 179.97 179.82 1tko h ASP 62 N 0.71 0.55 0.33 -3.80 -0.00 -1.90 -2.41 116.42 109.89 1tko h ASP 62 Ca 0.12 -0.11 -0.16 0.00 -0.00 0.00 0.00 57.03 56.87 1tko h ASP 62 Cb 0.61 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 1tko h ASP 62 CO 0.04 0.50 -0.67 -0.07 -0.00 0.00 0.00 179.24 179.05 1tko h LEU 63 N 0.55 0.36 -0.53 2.28 3.38 -1.16 -2.22 115.31 117.97 1tko h LEU 63 Ca 0.15 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1tko h LEU 63 Cb 0.09 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1tko h LEU 63 CO -0.02 0.92 0.29 -0.74 0.09 0.00 0.00 178.44 178.98 1tko h HIS 64 N 0.22 0.54 -0.11 1.13 2.76 -0.33 0.19 115.15 119.56 1tko h HIS 64 Ca -0.02 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1tko h HIS 64 Cb 1.21 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1tko h HIS 64 CO 0.03 0.28 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.57 1tko h LEU 65 N 0.57 0.45 0.21 0.26 3.38 -1.43 -2.42 115.31 116.33 1tko h LEU 65 Ca 0.23 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1tko h LEU 65 Cb 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1tko h LEU 65 CO -0.13 0.97 -0.23 0.15 0.09 0.00 0.00 178.44 179.28 1tko h PHE 66 N -0.04 -0.61 -0.25 1.13 3.57 -1.15 -1.55 116.94 118.03 1tko h PHE 66 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1tko h PHE 66 Cb 0.92 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1tko h PHE 66 CO 0.11 -0.34 0.13 -0.07 -2.23 0.00 0.00 178.31 175.91 1tko h LEU 67 N -0.48 0.29 -0.18 0.59 3.38 -0.71 -0.60 115.31 117.60 1tko h LEU 67 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1tko h LEU 67 Cb 0.46 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1tko h LEU 67 CO -0.07 0.24 0.07 1.23 0.09 0.00 0.00 178.44 180.00 1tko h GLY 68 N 0.41 0.29 0.99 0.83 0.00 -0.89 0.21 103.07 104.91 1tko h GLY 68 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1tko h GLY 68 CO -0.01 0.15 0.31 0.83 0.00 0.00 0.00 176.54 177.82 1tko h GLU 69 N 0.14 0.72 -0.52 4.80 5.08 -0.70 -1.32 114.58 122.78 1tko h GLU 69 Ca 0.06 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1tko h GLU 69 Cb 0.18 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1tko h GLU 69 CO -0.00 0.54 0.31 0.00 -1.00 0.00 0.00 179.01 178.85 1tko h ALA 70 N 1.14 0.67 -0.61 3.43 0.00 -0.91 0.06 119.26 123.04 1tko h ALA 70 Ca 0.19 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1tko h ALA 70 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1tko h ALA 70 CO -0.03 0.01 0.37 0.00 0.00 0.00 0.00 179.25 179.59 1tko h ALA 71 N 1.24 0.79 -0.59 0.00 0.00 -0.53 -1.19 119.26 118.98 1tko h ALA 71 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1tko h ALA 71 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1tko h ALA 71 CO -0.10 0.11 0.33 1.49 0.00 0.00 0.00 179.25 181.08 1tko h GLU 72 N 0.73 0.82 -0.46 0.00 4.81 -0.35 -1.34 114.58 118.79 1tko h GLU 72 Ca 0.25 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1tko h GLU 72 Cb 0.03 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1tko h GLU 72 CO -0.11 0.61 0.28 1.15 -0.73 0.00 0.00 179.01 180.22 1tko h THR 73 N 0.80 1.14 -0.53 0.32 2.02 -0.58 -1.47 112.91 114.60 1tko h THR 73 Ca 0.21 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1tko h THR 73 Cb 0.03 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1tko h THR 73 CO -0.04 0.14 0.31 0.00 0.37 0.00 0.00 175.52 176.31 1tko h ALA 74 N 1.13 0.69 -0.94 6.16 0.00 -0.85 0.12 119.26 125.56 1tko h ALA 74 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1tko h ALA 74 Cb -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1tko h ALA 74 CO -0.03 0.01 0.57 1.49 0.00 0.00 0.00 179.25 181.29 1tko h GLU 75 N 0.61 1.28 -0.35 0.00 4.81 -0.80 0.10 114.58 120.23 1tko h GLU 75 Ca 0.22 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1tko h GLU 75 Cb 0.05 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1tko h GLU 75 CO -0.11 0.89 -0.06 0.93 -0.73 0.00 0.00 179.01 179.93 1tko h GLU 76 N 1.30 0.65 -0.58 1.92 5.08 -0.68 -1.04 114.58 121.23 1tko h GLU 76 Ca 0.34 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1tko h GLU 76 Cb -0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1tko h GLU 76 CO -0.06 0.81 0.32 0.28 -1.00 0.00 0.00 179.01 179.35 1tko h VAL 77 N 0.44 1.19 -0.70 3.13 2.07 -0.61 -1.15 116.25 120.63 1tko h VAL 77 Ca 0.09 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1tko h VAL 77 Cb 0.55 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1tko h VAL 77 CO 0.03 0.21 0.46 0.00 0.02 0.00 0.00 177.57 178.29 1tko h ALA 78 N 1.15 0.89 -0.80 1.67 0.00 -0.63 -1.33 119.26 120.21 1tko h ALA 78 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1tko h ALA 78 Cb 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1tko h ALA 78 CO -0.03 0.30 0.39 0.22 0.00 0.00 0.00 179.25 180.13 1tko h ASP 79 N 0.94 1.05 -0.38 0.00 3.58 -0.75 -0.29 116.42 120.58 1tko h ASP 79 Ca 0.26 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1tko h ASP 79 Cb -0.10 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.66 1tko h ASP 79 CO -0.06 0.89 0.22 -0.33 -2.88 0.00 0.00 179.24 177.08 1tko h GLU 80 N 1.14 0.52 0.90 0.28 4.39 -0.58 -1.26 114.58 119.97 1tko h GLU 80 Ca 0.28 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1tko h GLU 80 Cb 0.12 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1tko h GLU 80 CO -0.03 0.40 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.71 1tko h LEU 81 N 0.49 -1.03 -0.96 1.33 -0.00 -0.84 -1.17 115.31 113.15 1tko h LEU 81 Ca 0.14 0.03 0.23 0.00 -0.00 0.00 0.00 57.88 58.28 1tko h LEU 81 Cb 0.02 0.27 -0.12 0.00 -0.00 0.00 0.00 40.66 40.82 1tko h LEU 81 CO -0.02 -0.70 0.51 0.00 -0.00 0.00 0.00 178.44 178.22 1tko h ALA 82 N -1.21 1.64 0.00 1.53 0.00 -1.00 0.16 119.26 120.37 1tko h ALA 82 Ca -0.12 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1tko h ALA 82 Cb 0.93 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1tko h ALA 82 CO 0.20 -0.30 -0.53 0.93 0.00 0.00 0.00 179.25 179.55 1tko h GLU 83 N 0.50 0.00 -0.01 0.00 5.08 -1.14 -2.03 114.58 116.97 1tko h GLU 83 Ca 0.61 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.75 1tko h GLU 83 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1tko h GLU 83 CO -0.50 0.53 -0.92 -0.09 -1.00 0.00 0.00 179.01 177.03 1tko h ARG 84 N 0.00 0.43 0.54 2.33 9.65 0.49 -1.59 114.38 126.23 1tko h ARG 84 Ca -0.01 -0.45 -0.03 0.00 -1.10 0.00 0.00 59.98 58.40 1tko h ARG 84 Cb 1.27 0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.98 1tko h ARG 84 CO 0.07 1.10 -0.26 0.28 2.80 0.00 0.00 179.97 183.96 1tko h VAL 85 N 0.25 0.45 -0.31 0.20 2.07 -0.74 -0.89 116.25 117.28 1tko h VAL 85 Ca -0.07 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1tko h VAL 85 Cb 1.55 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1tko h VAL 85 CO 0.16 0.03 0.22 -0.61 0.02 0.00 0.00 177.57 177.39 1tko h GLN 86 N -0.83 0.03 -0.36 1.57 -0.00 -1.39 -0.09 115.11 114.04 1tko h GLN 86 Ca -0.07 -0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.41 1tko h GLN 86 Cb 0.60 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.07 1tko h GLN 86 CO 0.12 0.02 -0.44 0.00 0.00 0.00 0.00 178.83 178.53 1tko h ALA 87 N 1.84 0.54 0.00 3.38 0.00 -0.84 -2.86 119.26 121.33 1tko h ALA 87 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1tko h ALA 87 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1tko h ALA 87 CO -0.01 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1tko n LEU 88 N -4.04 0.70 0.00 0.00 4.77 -0.13 -4.63 117.00 113.66 1tko n LEU 88 Ca -0.03 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1tko n LEU 88 Cb 0.57 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1tko n LEU 88 CO 0.49 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1tko n GLY 89 N 0.15 0.87 0.79 -0.72 0.00 -1.08 -2.88 105.19 102.31 1tko n GLY 89 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.12 -0.09 2.78 -0.02 0.00 -0.69 -2.25 105.19 102.80 1tko n GLY 90 Ca 0.00 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.93 0.97 0.43 1.61 1.01 -1.25 -4.25 120.40 118.00 1tko s VAL 91 Ca 0.14 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1tko s VAL 91 Cb -0.01 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.69 1tko s VAL 91 CO 0.10 -0.48 1.33 -2.16 0.00 0.00 0.00 175.10 173.88 1tko s PRO 92 N 1.60 3.80 0.50 2.72 0.04 -1.26 -4.65 135.00 137.75 1tko s PRO 92 Ca 0.05 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 1tko s PRO 92 Cb -0.18 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.64 1tko s PRO 92 CO -0.18 -0.65 1.41 0.72 0.04 0.00 0.00 177.00 178.35 1tko n HIS 93 N -0.11 2.55 0.03 0.56 8.25 -1.26 -4.94 115.22 120.30 1tko n HIS 93 Ca 0.05 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1tko n HIS 93 Cb 0.44 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.13 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 -0.63 3.00 -1.76 -1.41 0.00 -1.26 -4.97 120.51 113.49 1tko n ALA 94 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1tko n ALA 94 Cb 0.43 0.23 0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 -5.21 5.46 0.29 0.00 1.04 -1.26 -4.81 113.70 109.21 1tko s SER 95 Ca 0.00 2.47 0.01 0.00 0.48 0.00 0.00 55.95 58.92 1tko s SER 95 Cb 0.00 -2.61 0.55 0.00 0.10 0.00 0.00 66.02 64.06 1tko s SER 95 CO 0.00 -1.41 1.85 -0.65 0.98 0.00 0.00 173.24 174.01 1tko h PRO 96 N 1.35 0.98 0.04 4.02 0.11 -1.99 -0.06 132.00 136.45 1tko h PRO 96 Ca -0.50 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 1tko h PRO 96 Cb 1.29 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1tko h PRO 96 CO 0.57 0.65 -0.02 1.49 -0.21 0.00 0.00 178.00 180.48 1tko h GLU 97 N 1.01 -0.05 -0.66 1.05 4.81 -2.00 -1.92 114.58 116.81 1tko h GLU 97 Ca 0.47 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 1tko h GLU 97 Cb 0.43 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1tko h GLU 97 CO -0.23 -0.02 0.30 1.15 -0.73 0.00 0.00 179.01 179.48 1tko h THR 98 N -0.07 1.23 -0.24 0.32 2.02 -1.74 -1.79 112.91 112.64 1tko h THR 98 Ca -0.01 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.51 1tko h THR 98 Cb 0.06 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1tko h THR 98 CO 0.01 0.27 0.13 -0.07 0.37 0.00 0.00 175.52 176.23 1tko h LEU 99 N 0.93 0.20 -0.33 2.58 3.38 -0.82 0.69 115.31 121.93 1tko h LEU 99 Ca 0.23 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1tko h LEU 99 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1tko h LEU 99 CO -0.02 0.15 -0.09 -0.61 0.09 0.00 0.00 178.44 177.95 1tko h GLN 100 N 0.27 0.65 0.03 1.13 4.15 -1.27 -1.75 115.11 118.31 1tko h GLN 100 Ca 0.09 -0.25 0.03 0.00 0.77 0.00 0.00 58.65 59.29 1tko h GLN 100 Cb 0.01 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.62 1tko h GLN 100 CO -0.06 0.83 -0.32 0.00 -1.93 0.00 0.00 178.83 177.35 1tko h ALA 101 N 0.80 -0.49 0.00 3.38 0.00 -1.12 -1.86 119.26 119.97 1tko h ALA 101 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1tko h ALA 101 Cb 0.60 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1tko h ALA 101 CO 0.04 -0.84 0.00 0.39 0.00 0.00 0.00 179.25 178.83 1tko n GLU 102 N -5.41 0.18 -2.64 0.00 -0.58 0.22 -4.76 120.64 107.64 1tko n GLU 102 Ca -0.05 0.47 -0.41 0.00 -0.42 0.00 0.00 57.16 56.75 1tko n GLU 102 Cb 0.33 -1.88 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 1tko n GLU 102 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tko s ALA 103 N -3.36 3.32 -2.29 0.62 0.00 -0.66 -4.82 121.76 114.56 1tko s ALA 103 Ca 0.03 0.69 0.22 0.00 0.00 0.00 0.00 51.96 52.90 1tko s ALA 103 Cb 0.08 -3.30 0.52 0.00 0.00 0.00 0.00 23.12 20.43 1tko s ALA 103 CO 0.34 -0.06 1.45 -1.13 0.00 0.00 0.00 175.76 176.37 1tko n SER 104 N 2.29 3.40 -5.00 0.00 3.41 -1.26 -4.98 113.62 111.49 1tko n SER 104 Ca 0.01 -1.98 -0.18 0.00 -0.26 0.00 0.00 58.87 56.47 1tko n SER 104 Cb 0.47 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.36 3.43 -0.36 -3.33 -7.23 -1.26 -5.07 120.40 105.21 1tko s VAL 105 Ca 0.41 -0.97 -0.23 0.00 -1.81 0.00 0.00 61.98 59.39 1tko s VAL 105 Cb 0.23 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 34.00 1tko s VAL 105 CO 0.31 -0.07 0.75 -1.81 -0.31 0.00 0.00 175.10 173.97 1tko s ASP 106 N -4.28 6.53 -0.11 4.85 1.01 -1.26 -5.05 116.67 118.36 1tko s ASP 106 Ca 0.51 0.31 -0.09 0.00 0.71 0.00 0.00 52.55 53.99 1tko s ASP 106 Cb -0.10 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1tko s ASP 106 CO 0.33 -0.69 0.19 0.54 0.21 0.00 0.00 175.17 175.75 1tko s VAL 107 N 3.00 5.40 0.45 -1.27 0.11 -1.26 -4.92 120.40 121.91 1tko s VAL 107 Ca 0.30 0.34 -0.23 0.00 -2.93 0.00 0.00 61.98 59.45 1tko s VAL 107 Cb -0.14 -3.48 -0.08 0.00 -1.53 0.00 0.00 36.38 31.16 1tko s VAL 107 CO 0.16 0.58 1.16 -1.61 -3.33 0.00 0.00 175.10 172.06 1tko s GLU 108 N -0.77 3.82 0.85 1.54 2.02 -1.26 -5.02 118.70 119.87 1tko s GLU 108 Ca 0.16 1.78 -0.11 0.00 0.02 0.00 0.00 54.97 56.82 1tko s GLU 108 Cb -0.13 -2.46 0.10 0.00 0.10 0.00 0.00 34.13 31.74 1tko s GLU 108 CO 0.05 -0.50 1.09 0.16 0.02 0.00 0.00 175.26 176.08 1tko s ASP 109 N -1.32 3.87 0.00 -0.19 3.84 -1.26 -4.82 116.67 116.79 1tko s ASP 109 Ca 0.62 1.60 0.00 0.00 -0.00 0.00 0.00 52.55 54.77 1tko s ASP 109 Cb -0.29 -2.29 0.00 0.00 -1.38 0.00 0.00 42.92 38.97 1tko s ASP 109 CO 0.35 -2.41 0.00 -0.62 -0.00 0.00 0.00 175.17 172.50 1tko n GLU 110 N -3.74 0.00 -2.99 2.11 -0.58 -1.26 -4.73 120.64 109.45 1tko n GLU 110 Ca 0.08 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.58 1tko n GLU 110 Cb 0.54 -0.98 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 -1.41 5.97 -0.26 1.62 1.01 -1.26 -5.07 116.67 117.26 1tko s ASP 111 Ca 0.00 0.43 -0.08 0.00 0.71 0.00 0.00 52.55 53.62 1tko s ASP 111 Cb 0.00 -1.74 -0.02 0.00 1.01 0.00 0.00 42.92 42.16 1tko s ASP 111 CO 0.00 -0.62 0.08 -0.69 0.21 0.00 0.00 175.17 174.15 1tko s VAL 112 N -2.56 4.36 0.33 -1.27 1.01 -1.26 -5.08 120.40 115.93 1tko s VAL 112 Ca 0.47 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1tko s VAL 112 Cb -0.10 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1tko s VAL 112 CO 0.39 0.29 0.34 -0.31 0.00 0.00 0.00 175.10 175.81 1tko s TYR 113 N 1.61 2.97 1.03 5.22 1.51 -1.26 -5.09 117.35 123.35 1tko s TYR 113 Ca 0.06 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 55.71 1tko s TYR 113 Cb -0.15 -1.84 0.13 0.00 -0.11 0.00 0.00 41.96 39.99 1tko s TYR 113 CO 0.04 0.14 0.58 -0.40 -1.11 0.00 0.00 175.55 174.80 1tko n ASP 114 N -1.44 -1.59 -0.14 2.29 5.75 -1.26 -4.69 116.55 115.47 1tko n ASP 114 Ca -0.02 0.13 -0.05 0.00 -0.01 0.00 0.00 54.79 54.84 1tko n ASP 114 Cb 0.59 -1.21 0.13 0.00 -1.03 0.00 0.00 41.12 39.60 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 -2.00 1.25 -0.55 2.12 6.09 -1.99 -2.40 117.51 120.04 1tko h ILE 115 Ca -0.50 -1.03 -0.07 0.00 -1.37 0.00 0.00 64.86 61.90 1tko h ILE 115 Cb 1.31 0.83 -0.02 0.00 0.47 0.00 0.00 36.82 39.41 1tko h ILE 115 CO 0.40 0.37 0.07 0.03 -3.07 0.00 0.00 178.15 175.95 1tko h ARG 116 N 0.81 0.88 0.17 2.19 3.08 -1.99 1.00 114.38 120.53 1tko h ARG 116 Ca 0.16 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1tko h ARG 116 Cb 0.47 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1tko h ARG 116 CO 0.02 0.83 -0.08 1.15 -1.07 0.00 0.00 179.97 180.82 1tko h THR 117 N 0.83 0.95 0.35 2.04 2.02 -1.88 -1.24 112.91 115.99 1tko h THR 117 Ca 0.17 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1tko h THR 117 Cb 0.39 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1tko h THR 117 CO 0.01 0.14 -0.43 0.28 0.37 0.00 0.00 175.52 175.89 1tko h SER 118 N -0.53 -1.21 -0.67 4.18 0.02 -1.28 0.17 113.55 114.23 1tko h SER 118 Ca -0.02 0.11 0.14 0.00 -0.84 0.00 0.00 61.79 61.17 1tko h SER 118 Cb 0.41 0.42 -0.10 0.00 0.14 0.00 0.00 62.40 63.27 1tko h SER 118 CO 0.04 -0.57 0.15 -0.07 -1.14 0.00 0.00 176.83 175.24 1tko h LEU 119 N -0.83 -0.00 -1.06 5.07 4.07 -0.86 0.13 115.31 121.83 1tko h LEU 119 Ca -0.03 0.13 0.06 0.00 0.08 0.00 0.00 57.88 58.12 1tko h LEU 119 Cb 0.76 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.61 1tko h LEU 119 CO -0.11 -0.01 0.63 0.00 -1.08 0.00 0.00 178.44 177.86 1tko h ALA 120 N 1.55 1.43 -0.55 1.53 0.00 -0.56 -0.30 119.26 122.35 1tko h ALA 120 Ca 0.36 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1tko h ALA 120 Cb 0.58 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1tko h ALA 120 CO -0.46 0.44 -0.07 -0.91 0.00 0.00 0.00 179.25 178.25 1tko h ASN 121 N 1.14 1.02 -0.54 0.00 2.35 0.12 -2.72 115.58 116.96 1tko h ASN 121 Ca 0.41 -0.34 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1tko h ASN 121 Cb 0.14 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1tko h ASN 121 CO -0.15 1.11 0.01 0.44 -1.65 0.00 0.00 177.43 177.19 1tko h ASP 122 N 0.91 0.92 -0.81 5.81 3.32 -0.41 -2.07 116.42 124.08 1tko h ASP 122 Ca 0.15 -0.30 0.10 0.00 0.02 0.00 0.00 57.03 57.00 1tko h ASP 122 Cb 0.63 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1tko h ASP 122 CO 0.04 0.99 0.53 -0.03 -1.72 0.00 0.00 179.24 179.05 1tko h MET 123 N 0.81 0.70 -0.45 3.56 4.05 -0.97 0.18 114.93 122.81 1tko h MET 123 Ca 0.15 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1tko h MET 123 Cb 0.51 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1tko h MET 123 CO 0.03 0.46 0.14 0.00 0.23 0.00 0.00 176.91 177.77 1tko h ALA 124 N 1.60 0.58 -0.59 0.39 0.00 -1.08 -1.35 119.26 118.82 1tko h ALA 124 Ca 0.38 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1tko h ALA 124 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1tko h ALA 124 CO -0.15 0.23 -0.00 0.82 0.00 0.00 0.00 179.25 180.15 1tko h ILE 125 N 0.58 1.27 -0.03 0.00 2.04 -0.43 -2.83 117.51 118.11 1tko h ILE 125 Ca 0.14 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1tko h ILE 125 Cb 0.26 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1tko h ILE 125 CO -0.00 0.42 -0.01 1.88 0.00 0.00 0.00 178.15 180.44 1tko h TYR 126 N 0.94 -0.01 -0.63 1.37 -1.99 -0.53 -2.33 116.97 113.79 1tko h TYR 126 Ca 0.17 0.00 0.12 0.00 2.00 0.00 0.00 58.73 61.02 1tko h TYR 126 Cb 0.56 0.01 -0.09 0.00 2.00 0.00 0.00 36.73 39.21 1tko h TYR 126 CO 0.04 -0.01 0.15 0.78 -0.00 0.00 0.00 178.16 179.12 1tko h GLY 127 N 0.00 0.84 0.99 3.88 0.00 -1.12 0.44 103.07 108.09 1tko h GLY 127 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1tko h GLY 127 CO -0.03 -0.12 0.20 -0.55 0.00 0.00 0.00 176.54 176.04 1tko h ASP 128 N 0.29 0.82 -0.30 0.19 3.32 -1.31 -1.36 116.42 118.06 1tko h ASP 128 Ca 0.34 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1tko h ASP 128 Cb 0.50 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1tko h ASP 128 CO -0.41 0.79 -0.17 0.40 -1.72 0.00 0.00 179.24 178.12 1tko h ILE 129 N 0.80 1.26 -0.57 0.35 2.04 -0.77 -1.39 117.51 119.23 1tko h ILE 129 Ca 0.19 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 1tko h ILE 129 Cb 0.25 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1tko h ILE 129 CO -0.01 0.42 0.02 0.40 0.00 0.00 0.00 178.15 178.98 1tko h ILE 130 N 0.68 1.26 -0.15 -0.67 2.04 0.17 -1.40 117.51 119.44 1tko h ILE 130 Ca 0.10 -1.10 -0.23 0.00 1.00 0.00 0.00 64.86 64.63 1tko h ILE 130 Cb 0.67 0.85 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1tko h ILE 130 CO 0.05 0.40 -0.79 -0.33 0.00 0.00 0.00 178.15 177.48 1tko h GLU 131 N 0.88 0.80 -0.66 2.37 5.08 -1.14 -2.49 114.58 119.42 1tko h GLU 131 Ca 0.16 -0.66 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1tko h GLU 131 Cb 0.52 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1tko h GLU 131 CO 0.03 1.26 0.27 0.00 -1.00 0.00 0.00 179.01 179.57 1tko h ALA 132 N 0.55 1.23 -0.23 3.43 0.00 -1.21 -2.86 119.26 120.17 1tko h ALA 132 Ca -0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1tko h ALA 132 Cb 1.42 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1tko h ALA 132 CO 0.16 0.56 -0.55 1.15 0.00 0.00 0.00 179.25 180.58 1tko h THR 133 N 0.95 1.30 -0.94 0.00 2.02 -1.24 -2.31 112.91 112.69 1tko h THR 133 Ca 0.22 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 1tko h THR 133 Cb 0.17 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 1tko h THR 133 CO -0.02 0.56 0.58 0.03 0.37 0.00 0.00 175.52 177.04 1tko h ARG 134 N 0.53 1.27 -0.24 6.66 3.08 -1.23 -1.90 114.38 122.55 1tko h ARG 134 Ca 0.01 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1tko h ARG 134 Cb 1.12 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1tko h ARG 134 CO 0.11 0.88 -0.25 0.93 -1.07 0.00 0.00 179.97 180.57 1tko h GLU 135 N 1.29 0.60 -0.06 0.04 5.08 -1.46 -3.16 114.58 116.91 1tko h GLU 135 Ca 0.34 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1tko h GLU 135 Cb -0.07 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1tko h GLU 135 CO -0.07 0.92 -0.03 0.45 -1.00 0.00 0.00 179.01 179.28 1tko h HIS 136 N 0.30 0.08 -0.24 4.33 3.86 -1.12 -0.29 115.15 122.08 1tko h HIS 136 Ca 0.04 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1tko h HIS 136 Cb 0.81 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1tko h HIS 136 CO 0.08 0.11 -0.44 1.79 0.86 0.00 0.00 177.93 180.32 1tko h THR 137 N 0.08 1.30 -0.10 2.45 1.35 -1.32 -0.45 112.91 116.23 1tko h THR 137 Ca 0.02 -1.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.23 1tko h THR 137 Cb 0.11 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1tko h THR 137 CO 0.00 0.52 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.45 1tko h GLU 138 N 0.48 0.19 -1.01 4.72 5.08 -1.32 0.14 114.58 122.85 1tko h GLU 138 Ca 0.03 -0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 1tko h GLU 138 Cb 0.97 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 1tko h GLU 138 CO 0.09 0.47 0.62 1.25 -1.00 0.00 0.00 179.01 180.44 1tko h LEU 139 N -0.11 0.85 -0.09 1.33 5.85 -0.92 0.19 115.31 122.40 1tko h LEU 139 Ca 0.03 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1tko h LEU 139 Cb 0.39 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1tko h LEU 139 CO 0.01 0.37 -0.30 0.00 -0.34 0.00 0.00 178.44 178.17 1tko h ALA 140 N 1.60 0.16 -0.85 1.25 0.00 -0.65 -1.45 119.26 119.33 1tko h ALA 140 Ca 0.55 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1tko h ALA 140 Cb 0.73 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1tko h ALA 140 CO -0.33 0.20 0.45 0.93 0.00 0.00 0.00 179.25 180.50 1tko h GLU 141 N -0.08 1.19 -0.47 0.00 4.39 0.02 -0.70 114.58 118.92 1tko h GLU 141 Ca -0.01 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 1tko h GLU 141 Cb 0.93 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1tko h GLU 141 CO 0.06 0.88 0.02 -0.91 -1.16 0.00 0.00 179.01 177.90 1tko h ASN 142 N 1.19 0.79 0.00 1.42 -0.26 -0.66 -1.98 115.58 116.08 1tko h ASN 142 Ca 0.30 -0.30 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1tko h ASN 142 Cb 0.05 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.09 1tko h ASN 142 CO -0.05 0.90 0.00 0.18 -1.06 0.00 0.00 177.43 177.40 1tko n LEU 143 N -4.38 0.00 0.00 1.61 4.77 -0.55 -4.82 117.00 113.63 1tko n LEU 143 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1tko n LEU 143 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 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 0.11 0.88 3.33 -0.72 0.00 -0.74 -4.94 105.19 103.10 1tko n GLY 144 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.01 5.01 0.04 1.61 4.64 -0.30 -4.80 116.55 122.74 1tko n ASP 145 Ca 0.00 -2.97 0.01 0.00 -1.38 0.00 0.00 54.79 50.44 1tko n ASP 145 Cb 0.00 -1.61 0.33 0.00 -1.04 0.00 0.00 41.12 38.81 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 6.90 0.44 0.44 -0.67 3.86 -1.88 -2.32 115.15 121.92 1tko h HIS 146 Ca 0.39 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.54 1tko h HIS 146 Cb 0.81 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1tko h HIS 146 CO 1.24 0.47 -0.23 0.00 0.86 0.00 0.00 177.93 180.28 1tko h ALA 147 N 1.56 -0.61 -0.78 2.45 0.00 -1.94 0.13 119.26 120.07 1tko h ALA 147 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tko h ALA 147 Cb 0.33 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1tko h ALA 147 CO 0.01 -0.85 0.44 1.15 0.00 0.00 0.00 179.25 180.00 1tko h THR 148 N -0.62 1.22 0.29 0.00 2.02 -1.93 -0.96 112.91 112.94 1tko h THR 148 Ca -0.06 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1tko h THR 148 Cb 0.48 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1tko h THR 148 CO 0.08 0.25 -0.14 0.00 0.37 0.00 0.00 175.52 176.08 1tko h ALA 149 N 1.41 -0.38 -0.44 6.16 0.00 -1.16 -1.56 119.26 123.28 1tko h ALA 149 Ca 0.28 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1tko h ALA 149 Cb 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1tko h ALA 149 CO -0.05 -0.68 0.03 1.25 0.00 0.00 0.00 179.25 179.79 1tko h HIS 150 N -0.45 0.02 0.20 0.00 -0.00 -0.35 -1.71 115.15 112.86 1tko h HIS 150 Ca -0.04 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1tko h HIS 150 Cb 0.34 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.77 1tko h HIS 150 CO -0.04 -0.07 -0.35 1.98 -0.00 0.00 0.00 177.93 179.45 1tko h MET 151 N 0.14 -0.60 -0.74 5.26 -1.53 -1.06 -1.44 114.93 114.96 1tko h MET 151 Ca 0.22 0.04 0.16 0.00 -3.44 0.00 0.00 59.70 56.68 1tko h MET 151 Cb 0.31 0.14 -0.11 0.00 -0.55 0.00 0.00 31.60 31.39 1tko h MET 151 CO -0.35 -0.40 0.21 -0.07 0.14 0.00 0.00 176.91 176.45 1tko h LEU 152 N -0.63 0.09 -0.29 3.39 3.38 -0.73 -0.50 115.31 120.02 1tko h LEU 152 Ca 0.01 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1tko h LEU 152 Cb 0.62 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1tko h LEU 152 CO -0.16 -0.01 0.15 0.03 0.09 0.00 0.00 178.44 178.55 1tko h ARG 153 N 0.31 0.40 -0.77 1.13 3.08 -0.99 0.41 114.38 117.96 1tko h ARG 153 Ca 0.42 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.53 1tko h ARG 153 Cb 0.71 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 1tko h ARG 153 CO -0.49 0.35 0.39 0.93 -1.07 0.00 0.00 179.97 180.09 1tko h GLU 154 N 0.34 0.62 -0.01 0.04 4.39 -0.06 0.31 114.58 120.22 1tko h GLU 154 Ca 0.10 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.52 1tko h GLU 154 Cb 0.07 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1tko h GLU 154 CO -0.02 0.41 -0.97 0.78 -1.16 0.00 0.00 179.01 178.05 1tko h GLY 155 N 0.64 0.63 0.52 -3.84 0.00 -0.88 -3.26 103.07 96.88 1tko h GLY 155 Ca 0.39 -1.09 0.08 0.00 0.00 0.00 0.00 47.33 46.71 1tko h GLY 155 CO -0.29 0.96 0.32 -2.00 0.00 0.00 0.00 176.54 175.53 1tko h LEU 156 N 0.33 0.42 -0.96 3.11 5.85 0.82 -0.93 115.31 123.94 1tko h LEU 156 Ca -0.10 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.76 1tko h LEU 156 Cb 1.62 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.56 1tko h LEU 156 CO 0.18 0.25 0.61 -0.29 -0.34 0.00 0.00 178.44 178.85 1tko h ILE 157 N 0.56 1.00 -0.12 4.05 -0.00 -1.02 -0.58 117.51 121.40 1tko h ILE 157 Ca 0.32 -0.36 -0.06 0.00 -0.00 0.00 0.00 64.86 64.76 1tko h ILE 157 Cb 0.31 -0.13 -0.00 0.00 -0.00 0.00 0.00 36.82 37.00 1tko h ILE 157 CO -0.25 0.19 -0.16 -0.33 -0.00 0.00 0.00 178.15 177.60 1tko h GLU 158 N 1.04 0.32 -0.72 2.19 4.39 -1.29 -2.93 114.58 117.59 1tko h GLU 158 Ca 0.44 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 60.01 1tko h GLU 158 Cb 0.30 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 1tko h GLU 158 CO -0.21 0.75 0.43 -0.07 -1.16 0.00 0.00 179.01 178.75 1tko h LEU 159 N -0.08 0.68 -1.20 1.33 4.07 -0.79 -2.23 115.31 117.09 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 0.71 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1tko h LEU 159 CO 0.04 0.45 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.39 1tko h GLU 160 N 0.81 0.40 -0.22 1.13 5.08 -1.15 -1.65 114.58 118.99 1tko h GLU 160 Ca 0.31 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1tko h GLU 160 Cb 0.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1tko h GLU 160 CO -0.15 0.53 -0.49 0.22 -1.00 0.00 0.00 179.01 178.12 1tko h ASP 161 N 0.37 0.64 0.29 1.42 -0.00 -1.22 -1.32 116.42 116.60 1tko h ASP 161 Ca 0.07 -0.32 -0.15 0.00 -0.00 0.00 0.00 57.03 56.63 1tko h ASP 161 Cb 0.45 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.59 1tko h ASP 161 CO 0.03 1.02 -0.61 0.44 -0.00 0.00 0.00 179.24 180.12 1tko h ASP 162 N 0.46 0.36 -0.25 2.28 3.32 -1.18 -1.90 116.42 119.51 1tko h ASP 162 Ca 0.02 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 1tko h ASP 162 Cb 1.02 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1tko h ASP 162 CO 0.09 0.88 -0.23 0.00 -1.72 0.00 0.00 179.24 178.26 1tko h ALA 163 N 1.13 0.36 0.00 3.45 0.00 -1.20 -2.58 119.26 120.42 1tko h ALA 163 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1tko h ALA 163 Cb 1.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1tko h ALA 163 CO 0.10 0.32 -0.14 1.25 0.00 0.00 0.00 179.25 180.78 1tko h HIS 164 N 0.30 0.00 -0.23 0.00 -0.00 -1.17 -1.40 115.15 112.65 1tko h HIS 164 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.32 1tko h HIS 164 Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1tko h HIS 164 CO 0.07 0.14 -0.22 0.45 -0.00 0.00 0.00 177.93 178.38 1tko h HIS 165 N 0.00 0.66 -0.57 5.26 -0.00 -1.15 -2.03 115.15 117.33 1tko h HIS 165 Ca -0.00 -0.20 0.01 0.00 -0.00 0.00 0.00 60.37 60.18 1tko h HIS 165 Cb 0.25 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 1tko h HIS 165 CO 0.00 0.88 0.38 0.82 -0.00 0.00 0.00 177.93 180.01 1tko h ILE 166 N 0.26 1.14 -0.17 2.45 2.04 -0.99 -0.77 117.51 121.46 1tko h ILE 166 Ca 0.04 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1tko h ILE 166 Cb 0.76 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1tko h ILE 166 CO 0.05 0.14 -0.21 -0.08 0.00 0.00 0.00 178.15 178.06 1tko h GLU 167 N 0.76 0.30 0.00 2.37 4.81 -0.97 -2.39 114.58 119.46 1tko h GLU 167 Ca 0.21 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1tko h GLU 167 Cb -0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1tko h GLU 167 CO -0.05 0.50 -0.72 0.45 -0.73 0.00 0.00 179.01 178.47 1tko h HIS 168 N 0.28 0.00 -0.20 0.92 3.86 -0.45 -2.83 115.15 116.72 1tko h HIS 168 Ca 0.05 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1tko h HIS 168 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1tko h HIS 168 CO 0.01 0.72 -0.39 1.88 0.86 0.00 0.00 177.93 181.01 1tko h TYR 169 N 0.00 0.55 0.00 2.45 0.05 -0.92 -3.04 116.97 116.05 1tko h TYR 169 Ca -0.01 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1tko h TYR 169 Cb 1.44 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.06 1tko h TYR 169 CO 0.00 0.79 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.61 1tko h LEU 170 N 0.39 0.00 -9.81 3.88 3.38 -1.39 -3.47 115.31 108.28 1tko h LEU 170 Ca 0.04 -0.06 -0.54 0.00 0.09 0.00 0.00 57.88 57.41 1tko h LEU 170 Cb 0.86 0.00 0.21 0.00 0.09 0.00 0.00 40.66 41.82 1tko h LEU 170 CO 0.07 0.03 -0.45 -0.62 0.09 0.00 0.00 178.44 177.57 1tko n GLU 171 N -2.31 -0.17 -2.53 1.13 -0.58 -1.07 -4.88 120.64 110.23 1tko n GLU 171 Ca 0.05 -0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.36 1tko n GLU 171 Cb 0.45 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.41 5.26 -3.77 1.62 5.75 -1.26 -4.92 116.55 117.82 1tko n ASP 172 Ca 0.08 -3.12 -0.10 0.00 -0.01 0.00 0.00 54.79 51.64 1tko n ASP 172 Cb 0.53 -1.47 -0.05 0.00 -1.03 0.00 0.00 41.12 39.10 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 0.91 -0.18 -0.16 -1.12 -1.08 -1.26 -5.18 116.67 108.60 1tko s ASP 173 Ca 0.39 -0.54 -0.35 0.00 -0.52 0.00 0.00 52.55 51.53 1tko s ASP 173 Cb 0.07 0.53 0.14 0.00 -1.46 0.00 0.00 42.92 42.20 1tko s ASP 173 CO 0.01 -0.98 1.34 0.28 0.52 0.00 0.00 175.17 176.34 1tko s THR 174 N -3.88 0.00 -0.19 1.71 -1.32 -1.26 -5.00 115.64 105.69 1tko s THR 174 Ca 0.10 -0.05 0.21 0.00 -1.21 0.00 0.00 61.69 60.74 1tko s THR 174 Cb 0.00 -1.45 -0.06 0.00 -1.51 0.00 0.00 72.50 69.48 1tko s THR 174 CO -0.04 0.00 0.94 0.18 -2.21 0.00 0.00 174.62 173.49 1tko n LEU 175 N -0.25 0.76 -4.75 9.08 4.77 -1.26 -4.90 117.00 120.45 1tko n LEU 175 Ca -0.02 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 1tko n LEU 175 Cb 0.60 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1tko n LEU 175 CO 0.10 -0.10 1.24 -0.69 -1.33 0.00 0.00 177.39 176.60 1tko s VAL 176 N -3.29 2.15 0.14 4.08 1.01 -1.26 -5.01 120.40 118.22 1tko s VAL 176 Ca -0.02 0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.20 1tko s VAL 176 Cb 0.10 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1tko s VAL 176 CO 0.81 0.02 -0.25 0.42 0.00 0.00 0.00 175.10 176.09 1tko s THR 177 N 0.13 2.35 0.44 3.92 -4.23 -1.26 -5.01 115.64 111.99 1tko s THR 177 Ca 0.64 -1.79 0.19 0.00 -1.18 0.00 0.00 61.69 59.54 1tko s THR 177 Cb -0.47 -2.07 0.38 0.00 1.34 0.00 0.00 72.50 71.68 1tko s THR 177 CO 0.45 0.04 1.90 -0.61 -0.54 0.00 0.00 174.62 175.87 1tko h GLN 178 N 3.70 0.33 0.41 3.99 5.75 -2.01 -1.73 115.11 125.55 1tko h GLN 178 Ca -0.50 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 1tko h GLN 178 Cb 1.18 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 1tko h GLN 178 CO 0.42 0.22 -0.29 0.78 -2.65 0.00 0.00 178.83 177.31 1tko h GLY 179 N 0.34 -0.94 0.30 2.39 0.00 -2.01 -2.66 103.07 100.49 1tko h GLY 179 Ca 0.40 0.40 0.22 0.00 0.00 0.00 0.00 47.33 48.35 1tko h GLY 179 CO -0.12 -0.31 0.64 0.00 0.00 0.00 0.00 176.54 176.75 1tko h ALA 180 N -1.42 2.60 0.00 3.60 0.00 -1.74 -3.55 119.26 118.74 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 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tko h ALA 180 CO 0.03 -1.03 0.00 1.28 0.00 0.00 0.00 179.25 179.54