#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 -3.40 0.00 3.08 -2.09 -3.45 114.38 108.52 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 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 1tko h ARG 8 CO 0.00 0.55 -0.24 0.00 -1.07 0.00 0.00 179.97 179.21 1tko s ALA 9 N -3.66 -0.64 -0.12 0.04 0.00 -1.26 -5.16 121.76 110.96 1tko s ALA 9 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1tko s ALA 9 Cb 0.12 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1tko s ALA 9 CO 0.74 -0.46 -0.15 0.99 0.00 0.00 0.00 175.76 176.88 1tko s THR 10 N -2.96 2.88 0.09 0.00 2.01 -1.26 -5.07 115.64 111.33 1tko s THR 10 Ca -0.02 -0.72 -0.36 0.00 0.31 0.00 0.00 61.69 60.89 1tko s THR 10 Cb 0.01 -2.19 -0.16 0.00 0.01 0.00 0.00 72.50 70.16 1tko s THR 10 CO -0.06 0.53 1.38 0.00 -0.69 0.00 0.00 174.62 175.78 1tko n ALA 11 N 3.51 -0.63 0.00 7.40 0.00 -1.26 -0.73 120.51 128.80 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 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 2.68 2.59 3.79 0.00 0.00 -1.26 -5.07 105.19 107.92 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 -0.30 4.49 -0.41 1.61 2.02 0.09 -4.98 118.70 121.21 1tko s GLU 13 Ca 0.00 1.16 0.02 0.00 0.02 0.00 0.00 54.97 56.17 1tko s GLU 13 Cb 0.00 -2.94 0.15 0.00 0.10 0.00 0.00 34.13 31.43 1tko s GLU 13 CO 0.00 0.39 0.27 0.08 0.02 0.00 0.00 175.26 176.01 1tko s VAL 14 N -1.47 0.74 -1.78 2.63 1.01 -1.26 -3.88 120.40 116.39 1tko s VAL 14 Ca 0.45 -2.34 0.16 0.00 0.00 0.00 0.00 61.98 60.25 1tko s VAL 14 Cb -0.19 -1.52 0.40 0.00 0.00 0.00 0.00 36.38 35.06 1tko s VAL 14 CO 0.24 -1.02 1.42 -1.84 0.00 0.00 0.00 175.10 173.91 1tko n GLU 15 N 3.49 0.41 0.00 2.72 0.28 -0.97 -4.67 120.64 121.90 1tko n GLU 15 Ca 0.15 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 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 0.05 -0.34 3.39 -1.84 0.00 -1.13 -4.41 105.19 100.91 1tko n GLY 16 Ca 0.11 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.56 0.10 1.61 0.15 0.17 -2.96 113.70 108.21 1tko s SER 17 Ca 0.00 1.15 -0.10 0.00 0.70 0.00 0.00 55.95 57.70 1tko s SER 17 Cb 0.00 1.45 -0.15 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 7.82 0.82 -0.76 5.45 3.32 -1.90 0.67 116.42 131.84 1tko h ASP 18 Ca -0.22 -0.60 -0.02 0.00 0.02 0.00 0.00 57.03 56.22 1tko h ASP 18 Cb 1.13 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 1tko h ASP 18 CO 0.15 1.40 0.42 0.00 -1.72 0.00 0.00 179.24 179.49 1tko h ALA 19 N 0.57 0.98 -0.12 3.45 0.00 -1.95 -1.92 119.26 120.26 1tko h ALA 19 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1tko h ALA 19 Cb 1.54 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1tko h ALA 19 CO 0.18 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1tko n LEU 20 N -4.44 1.43 -3.87 0.00 4.77 -1.23 -4.93 117.00 108.73 1tko n LEU 20 Ca 0.07 -0.58 -0.25 0.00 -0.03 0.00 0.00 56.01 55.22 1tko n LEU 20 Cb 0.09 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1tko n LEU 20 CO 0.38 0.29 -0.11 0.54 -1.33 0.00 0.00 177.39 177.16 1tko n ARG 21 N 0.16 -4.23 -4.01 3.23 5.12 -0.72 -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 56.29 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 -6.37 2.06 0.32 5.56 1.75 0.17 -5.03 119.30 117.75 1tko s MET 22 Ca 0.15 -0.96 -0.28 0.00 -1.25 0.00 0.00 55.69 53.36 1tko s MET 22 Cb -0.08 -2.54 -0.09 0.00 2.84 0.00 0.00 34.83 34.96 1tko s MET 22 CO 0.85 -0.47 1.08 0.16 -0.65 0.00 0.00 175.02 175.99 1tko s ASP 23 N 1.34 7.11 0.61 1.11 -4.77 -1.26 -0.65 116.67 120.15 1tko s ASP 23 Ca -0.03 2.18 0.22 0.00 -3.30 0.00 0.00 52.55 51.62 1tko s ASP 23 Cb -0.17 -2.61 1.19 0.00 -1.09 0.00 0.00 42.92 40.23 1tko s ASP 23 CO -0.08 -0.25 1.65 0.00 0.70 0.00 0.00 175.17 177.20 1tko h ALA 24 N 3.40 1.43 0.39 2.11 0.00 -1.83 0.29 119.26 125.05 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 0.00 179.25 179.51 1tko h ASP 25 N 0.00 -0.45 -0.13 0.00 1.82 -1.91 -2.42 116.42 113.33 1tko h ASP 25 Ca 0.00 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1tko h ASP 25 Cb 0.90 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.02 1tko h ASP 25 CO 0.00 -0.01 0.06 0.03 -1.61 0.00 0.00 179.24 177.71 1tko h ARG 26 N -1.13 0.19 -0.36 0.28 3.08 -1.66 -3.25 114.38 111.53 1tko h ARG 26 Ca -0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1tko h ARG 26 Cb 0.43 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 1tko h ARG 26 CO 0.09 0.24 -0.54 0.00 -1.07 0.00 0.00 179.97 178.69 1tko h ALA 27 N 0.94 -0.79 -1.30 0.04 0.00 -1.09 -1.59 119.26 115.46 1tko h ALA 27 Ca 0.04 -0.01 0.38 0.00 0.00 0.00 0.00 54.91 55.32 1tko h ALA 27 Cb 0.11 1.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1tko h ALA 27 CO -0.01 -1.04 0.90 1.49 0.00 0.00 0.00 179.25 180.59 1tko h GLU 28 N -0.41 0.11 -0.36 0.00 4.81 -1.46 0.28 114.58 117.55 1tko h GLU 28 Ca 0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1tko h GLU 28 Cb 0.59 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1tko h GLU 28 CO -0.56 0.07 0.06 1.96 -0.73 0.00 0.00 179.01 179.82 1tko h GLN 29 N 0.11 0.60 0.13 1.92 4.20 -1.38 -1.91 115.11 118.78 1tko h GLN 29 Ca 0.68 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 59.23 1tko h GLN 29 Cb 2.38 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.09 1tko h GLN 29 CO -0.16 0.66 -0.06 0.00 -0.67 0.00 0.00 178.83 178.60 1tko h VAL 31 N -0.66 0.53 0.05 0.00 2.07 -1.12 0.56 116.25 117.68 1tko h VAL 31 Ca -0.02 -0.04 -0.26 0.00 0.82 0.00 0.00 66.70 67.20 1tko h VAL 31 Cb 0.50 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1tko h VAL 31 CO 0.03 0.02 -1.07 0.44 0.02 0.00 0.00 177.57 177.01 1tko h ASP 32 N 0.13 0.64 0.22 0.57 5.19 -1.33 -1.87 116.42 119.97 1tko h ASP 32 Ca 0.49 -0.56 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1tko h ASP 32 Cb 1.73 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.04 1tko h ASP 32 CO -0.08 1.37 -0.11 0.00 -3.12 0.00 0.00 179.24 177.31 1tko h ALA 33 N 0.57 -0.30 -0.14 3.45 0.00 -0.13 -2.91 119.26 119.81 1tko h ALA 33 Ca -0.12 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1tko h ALA 33 Cb 1.74 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1tko h ALA 33 CO 0.19 -0.45 -0.07 -0.07 0.00 0.00 0.00 179.25 178.86 1tko h LEU 34 N -0.74 -0.22 -2.24 0.00 3.38 -0.21 -2.19 115.31 113.10 1tko h LEU 34 Ca -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1tko h LEU 34 Cb 0.50 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1tko h LEU 34 CO 0.05 -0.09 -0.03 -1.13 0.09 0.00 0.00 178.44 177.34 1tko h ASN 35 N -0.05 0.00 -0.26 -0.43 -0.73 -1.42 0.13 115.58 112.81 1tko h ASN 35 Ca 0.08 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.14 1tko h ASN 35 Cb 0.17 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 1tko h ASN 35 CO -0.17 0.03 -0.25 0.00 -0.37 0.00 0.00 177.43 176.66 1tko h ALA 36 N 1.97 0.39 -0.30 1.57 0.00 -1.19 -3.08 119.26 118.61 1tko h ALA 36 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1tko h ALA 36 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tko h ALA 36 CO 0.00 0.37 -0.18 -0.44 0.00 0.00 0.00 179.25 179.00 1tko h ASP 37 N 0.36 0.68 -0.77 0.00 3.32 -0.80 -3.01 116.42 116.20 1tko h ASP 37 Ca 0.04 -0.42 0.18 0.00 0.02 0.00 0.00 57.03 56.85 1tko h ASP 37 Cb 0.81 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.05 1tko h ASP 37 CO 0.06 0.96 0.19 0.25 -1.72 0.00 0.00 179.24 178.98 1tko h LEU 38 N 0.41 0.01 -0.44 1.55 5.85 -0.80 0.18 115.31 122.07 1tko h LEU 38 Ca 0.06 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1tko h LEU 38 Cb 0.71 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1tko h LEU 38 CO 0.05 -0.06 0.07 0.00 -0.34 0.00 0.00 178.44 178.16 1tko h ALA 39 N 1.65 0.58 -0.44 1.25 0.00 -1.49 -1.21 119.26 119.60 1tko h ALA 39 Ca 0.45 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1tko h ALA 39 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1tko h ALA 39 CO -0.55 0.30 0.07 -0.91 0.00 0.00 0.00 179.25 178.16 1tko h ASN 40 N 0.58 0.71 -0.31 0.00 2.35 -0.98 -2.47 115.58 115.46 1tko h ASN 40 Ca 0.13 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1tko h ASN 40 Cb 0.37 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1tko h ASN 40 CO 0.01 0.79 -0.10 0.58 -1.65 0.00 0.00 177.43 177.05 1tko h VAL 41 N 0.60 1.25 0.00 2.81 2.07 -0.65 -1.39 116.25 120.93 1tko h VAL 41 Ca 0.14 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1tko h VAL 41 Cb 0.38 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1tko h VAL 41 CO 0.01 0.38 -0.28 1.88 0.02 0.00 0.00 177.57 179.58 1tko h TYR 42 N 0.66 0.00 0.04 1.57 0.99 -1.08 0.22 116.97 119.37 1tko h TYR 42 Ca 0.12 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.60 1tko h TYR 42 Cb 0.56 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.26 1tko h TYR 42 CO 0.03 0.28 -1.26 -0.39 -0.00 0.00 0.00 178.16 176.82 1tko h VAL 43 N 0.00 1.43 -0.68 -2.88 -1.51 -1.24 -2.79 116.25 108.57 1tko h VAL 43 Ca -0.00 -3.13 -0.00 0.00 -1.23 0.00 0.00 66.70 62.33 1tko h VAL 43 Cb 0.82 2.76 -0.03 0.00 -2.13 0.00 0.00 31.29 32.71 1tko h VAL 43 CO 0.04 0.85 0.41 0.25 -1.23 0.00 0.00 177.57 177.88 1tko h LEU 44 N 0.02 0.82 0.15 4.19 5.85 -0.68 -0.38 115.31 125.28 1tko h LEU 44 Ca -0.12 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1tko h LEU 44 Cb 1.88 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 1tko h LEU 44 CO 0.14 0.64 -0.29 0.22 -0.34 0.00 0.00 178.44 178.80 1tko h TYR 45 N 0.93 -0.78 0.00 1.25 3.20 -0.54 0.04 116.97 121.07 1tko h TYR 45 Ca 0.24 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1tko h TYR 45 Cb -0.03 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1tko h TYR 45 CO -0.01 -0.40 -0.15 0.45 -1.64 0.00 0.00 178.16 176.40 1tko h HIS 46 N -0.53 0.00 -0.07 -3.82 3.86 -1.18 -0.93 115.15 112.48 1tko h HIS 46 Ca 0.02 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.02 1tko h HIS 46 Cb 0.54 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.02 1tko h HIS 46 CO -0.25 0.15 -0.80 0.37 0.86 0.00 0.00 177.93 178.26 1tko h GLN 47 N 0.00 0.67 -0.80 2.45 4.15 -0.57 -1.69 115.11 119.32 1tko h GLN 47 Ca -0.00 -0.63 -0.04 0.00 0.77 0.00 0.00 58.65 58.75 1tko h GLN 47 Cb 0.27 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1tko h GLN 47 CO 0.02 1.23 0.35 -0.07 -1.93 0.00 0.00 178.83 178.43 1tko h LEU 48 N 0.34 1.07 0.18 -2.39 3.38 -0.65 -1.02 115.31 116.22 1tko h LEU 48 Ca -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1tko h LEU 48 Cb 1.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1tko h LEU 48 CO 0.16 0.93 -0.09 0.11 0.09 0.00 0.00 178.44 179.64 1tko h LYS 49 N 1.15 -0.24 -0.39 1.13 1.79 -1.12 0.98 116.57 119.86 1tko h LYS 49 Ca 0.27 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.83 1tko h LYS 49 Cb 0.17 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.79 1tko h LYS 49 CO -0.03 -0.16 -0.36 -0.22 -1.08 0.00 0.00 179.45 177.60 1tko h LYS 50 N -0.25 -0.28 -0.13 3.15 3.64 -0.74 0.23 116.57 122.19 1tko h LYS 50 Ca -0.02 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1tko h LYS 50 Cb 0.20 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1tko h LYS 50 CO 0.04 -0.18 -0.09 0.45 -2.27 0.00 0.00 179.45 177.39 1tko h HIS 51 N -0.29 0.20 -0.07 1.91 3.86 -1.01 -0.96 115.15 118.80 1tko h HIS 51 Ca 0.16 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1tko h HIS 51 Cb 0.56 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1tko h HIS 51 CO -0.57 0.29 0.04 1.25 0.86 0.00 0.00 177.93 179.81 1tko h HIS 52 N 0.19 0.09 -0.44 2.45 -0.00 0.19 -0.52 115.15 117.10 1tko h HIS 52 Ca 0.04 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.32 1tko h HIS 52 Cb 0.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1tko h HIS 52 CO 0.00 0.11 -0.07 -1.49 -0.00 0.00 0.00 177.93 176.48 1tko h TRP 53 N 0.04 0.92 0.03 5.26 6.55 -0.19 -3.36 115.95 125.19 1tko h TRP 53 Ca 0.02 -0.19 -0.27 0.00 0.95 0.00 0.00 58.89 59.41 1tko h TRP 53 Cb 0.05 -0.23 -0.03 0.00 -0.86 0.00 0.00 29.16 28.09 1tko h TRP 53 CO -0.05 0.91 -1.46 -0.91 -1.05 0.00 0.00 178.44 175.88 1tko h ASN 54 N 0.65 0.09 -1.17 -3.49 2.35 -1.12 -3.48 115.58 109.41 1tko h ASN 54 Ca 0.11 -0.14 -0.72 0.00 -0.55 0.00 0.00 56.30 55.00 1tko h ASN 54 Cb 0.60 -0.03 0.08 0.00 0.05 0.00 0.00 38.32 39.01 1tko h ASN 54 CO 0.04 1.12 -0.10 0.55 -1.65 0.00 0.00 177.43 177.39 1tko n VAL 55 N -3.24 0.83 -4.21 2.81 3.14 -0.21 -4.98 118.33 112.48 1tko n VAL 55 Ca -0.12 -0.21 -0.13 0.00 -2.96 0.00 0.00 64.34 60.92 1tko n VAL 55 Cb 1.01 -0.15 -0.10 0.00 -1.06 0.00 0.00 33.84 33.54 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 -0.40 1.26 0.00 1.45 2.02 -1.26 -4.94 118.70 116.82 1tko s GLU 56 Ca 0.79 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1tko s GLU 56 Cb -1.08 0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.43 1tko s GLU 56 CO 0.56 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.83 1tko n GLY 57 N -0.30 0.09 0.18 -1.39 0.00 -1.26 -4.51 105.19 98.00 1tko n GLY 57 Ca 0.03 -2.25 -0.18 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 0.21 -0.88 4.61 0.00 -2.06 -3.21 119.26 117.93 1tko h ALA 58 Ca 0.00 -0.70 -0.39 0.00 0.00 0.00 0.00 54.91 53.81 1tko h ALA 58 Cb 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 17.59 1tko h ALA 58 CO 0.00 0.73 0.49 0.39 0.00 0.00 0.00 179.25 180.86 1tko n GLU 59 N -3.81 2.78 0.21 0.00 4.71 -1.26 -4.68 120.64 118.59 1tko n GLU 59 Ca -0.10 -3.05 -0.15 0.00 -0.01 0.00 0.00 57.16 53.85 1tko n GLU 59 Cb 0.87 -2.18 -0.08 0.00 -1.01 0.00 0.00 31.44 29.04 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 1.62 -0.45 -0.55 -0.32 3.57 -1.78 -2.32 116.94 116.71 1tko h PHE 60 Ca 0.48 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.90 1tko h PHE 60 Cb 2.63 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 41.49 1tko h PHE 60 CO 1.46 -0.27 0.05 -0.09 -2.23 0.00 0.00 178.31 177.23 1tko h ARG 61 N -0.50 0.91 -0.40 1.11 2.43 -1.86 0.23 114.38 116.31 1tko h ARG 61 Ca -0.05 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1tko h ARG 61 Cb 0.38 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1tko h ARG 61 CO 0.08 0.87 0.23 0.22 -1.51 0.00 0.00 179.97 179.86 1tko h ASP 62 N 0.85 0.48 0.31 -3.80 -0.00 -1.90 -2.41 116.42 109.95 1tko h ASP 62 Ca 0.17 -0.07 -0.16 0.00 -0.00 0.00 0.00 57.03 56.97 1tko h ASP 62 Cb 0.43 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.63 1tko h ASP 62 CO 0.02 0.41 -0.66 -0.07 -0.00 0.00 0.00 179.24 178.94 1tko h LEU 63 N 0.52 0.37 -0.34 2.28 3.38 -1.12 -2.01 115.31 118.39 1tko h LEU 63 Ca 0.14 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1tko h LEU 63 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1tko h LEU 63 CO -0.03 0.93 0.12 -0.74 0.09 0.00 0.00 178.44 178.81 1tko h HIS 64 N 0.23 0.21 -0.22 1.13 2.76 -0.32 0.31 115.15 119.25 1tko h HIS 64 Ca -0.02 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1tko h HIS 64 Cb 1.20 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 1tko h HIS 64 CO 0.03 0.09 -0.25 -0.07 -1.30 0.00 0.00 177.93 176.43 1tko h LEU 65 N 0.26 0.60 0.17 0.26 3.38 -1.41 -2.14 115.31 116.42 1tko h LEU 65 Ca 0.16 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1tko h LEU 65 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1tko h LEU 65 CO -0.16 0.97 -0.13 0.15 0.09 0.00 0.00 178.44 179.36 1tko h PHE 66 N 0.24 -0.33 -0.19 1.13 3.57 -1.01 -1.61 116.94 118.74 1tko h PHE 66 Ca 0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1tko h PHE 66 Cb 0.81 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1tko h PHE 66 CO 0.08 -0.20 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.89 1tko h LEU 67 N -0.30 0.25 -0.19 0.59 3.38 -0.44 -0.71 115.31 117.89 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 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1tko h LEU 67 CO -0.01 0.31 0.08 1.23 0.09 0.00 0.00 178.44 180.14 1tko h GLY 68 N 0.56 0.31 0.98 0.83 0.00 -0.94 -0.13 103.07 104.69 1tko h GLY 68 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1tko h GLY 68 CO 0.00 0.16 0.28 0.83 0.00 0.00 0.00 176.54 177.82 1tko h GLU 69 N 0.16 0.68 -0.57 4.80 5.08 -0.75 -1.22 114.58 122.76 1tko h GLU 69 Ca 0.07 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1tko h GLU 69 Cb 0.17 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1tko h GLU 69 CO -0.01 0.52 0.33 0.00 -1.00 0.00 0.00 179.01 178.86 1tko h ALA 70 N 1.13 0.74 -0.73 3.43 0.00 -0.98 0.24 119.26 123.09 1tko h ALA 70 Ca 0.18 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1tko h ALA 70 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1tko h ALA 70 CO -0.03 0.04 0.47 0.00 0.00 0.00 0.00 179.25 179.73 1tko h ALA 71 N 1.27 0.94 -0.54 0.00 0.00 -0.56 -1.09 119.26 119.28 1tko h ALA 71 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1tko h ALA 71 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1tko h ALA 71 CO -0.12 0.29 0.26 1.49 0.00 0.00 0.00 179.25 181.17 1tko h GLU 72 N 0.94 0.78 -0.37 0.00 4.81 -0.18 -1.41 114.58 119.16 1tko h GLU 72 Ca 0.28 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1tko h GLU 72 Cb -0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1tko h GLU 72 CO -0.09 0.64 0.23 1.15 -0.73 0.00 0.00 179.01 180.22 1tko h THR 73 N 0.73 1.11 -0.56 0.32 2.02 -0.53 -1.50 112.91 114.51 1tko h THR 73 Ca 0.19 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1tko h THR 73 Cb 0.12 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1tko h THR 73 CO -0.02 0.11 0.32 0.00 0.37 0.00 0.00 175.52 176.29 1tko h ALA 74 N 1.12 0.72 -0.93 6.16 0.00 -0.92 0.17 119.26 125.58 1tko h ALA 74 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1tko h ALA 74 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1tko h ALA 74 CO -0.03 0.02 0.56 1.49 0.00 0.00 0.00 179.25 181.29 1tko h GLU 75 N 0.62 1.26 -0.32 0.00 4.81 -0.79 0.11 114.58 120.28 1tko h GLU 75 Ca 0.23 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1tko h GLU 75 Cb 0.07 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1tko h GLU 75 CO -0.12 0.88 -0.07 0.93 -0.73 0.00 0.00 179.01 179.90 1tko h GLU 76 N 1.28 0.61 -0.69 1.92 5.08 -0.67 -0.92 114.58 121.18 1tko h GLU 76 Ca 0.33 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 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 0.79 0.41 0.28 -1.00 0.00 0.00 179.01 179.42 1tko h VAL 77 N 0.38 1.20 -0.64 3.13 2.07 -0.55 -1.19 116.25 120.64 1tko h VAL 77 Ca 0.08 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1tko h VAL 77 Cb 0.56 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1tko h VAL 77 CO 0.03 0.21 0.40 0.00 0.02 0.00 0.00 177.57 178.23 1tko h ALA 78 N 1.21 0.82 -0.76 1.67 0.00 -0.58 -1.48 119.26 120.14 1tko h ALA 78 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1tko h ALA 78 Cb -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1tko h ALA 78 CO -0.05 0.27 0.41 0.22 0.00 0.00 0.00 179.25 180.11 1tko h ASP 79 N 0.87 0.95 -0.52 0.00 3.58 -0.69 -0.23 116.42 120.38 1tko h ASP 79 Ca 0.23 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1tko h ASP 79 Cb -0.06 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.72 1tko h ASP 79 CO -0.05 0.78 0.34 -0.33 -2.88 0.00 0.00 179.24 177.10 1tko h GLU 80 N 1.05 0.69 0.59 0.28 4.39 -0.72 -1.20 114.58 119.66 1tko h GLU 80 Ca 0.27 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1tko h GLU 80 Cb 0.04 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1tko h GLU 80 CO -0.04 0.47 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.92 1tko h LEU 81 N 0.71 -0.67 -0.98 1.33 -0.00 -0.86 -1.42 115.31 113.42 1tko h LEU 81 Ca 0.19 -0.03 0.20 0.00 -0.00 0.00 0.00 57.88 58.24 1tko h LEU 81 Cb -0.07 0.17 -0.11 0.00 -0.00 0.00 0.00 40.66 40.65 1tko h LEU 81 CO -0.04 -0.35 0.57 0.00 -0.00 0.00 0.00 178.44 178.61 1tko h ALA 82 N -0.71 1.63 0.00 1.53 0.00 -1.00 0.92 119.26 121.64 1tko h ALA 82 Ca -0.08 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1tko h ALA 82 Cb 0.66 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1tko h ALA 82 CO 0.13 -0.13 -0.54 0.93 0.00 0.00 0.00 179.25 179.65 1tko h GLU 83 N 0.67 0.00 -0.01 0.00 5.08 -1.17 -2.06 114.58 117.10 1tko h GLU 83 Ca 0.58 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.72 1tko h GLU 83 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1tko h GLU 83 CO -0.42 0.54 -0.92 -0.09 -1.00 0.00 0.00 179.01 177.12 1tko h ARG 84 N 0.00 0.43 0.55 2.33 9.65 0.10 -1.47 114.38 125.97 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 0.44 -0.27 0.20 2.07 -0.81 -0.66 116.25 117.46 1tko h VAL 85 Ca -0.08 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1tko h VAL 85 Cb 1.55 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1tko h VAL 85 CO 0.16 0.02 0.19 -0.61 0.02 0.00 0.00 177.57 177.36 1tko h GLN 86 N -0.83 0.03 -0.32 1.57 -0.00 -1.40 -0.04 115.11 114.12 1tko h GLN 86 Ca -0.08 -0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.40 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 -0.47 0.00 0.00 0.00 0.00 178.83 178.51 1tko h ALA 87 N 1.86 0.49 0.00 3.38 0.00 -0.82 -2.91 119.26 121.26 1tko h ALA 87 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1tko h ALA 87 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tko h ALA 87 CO -0.01 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.17 1tko n LEU 88 N -4.06 0.66 0.00 0.00 4.77 -0.13 -4.63 117.00 113.61 1tko n LEU 88 Ca -0.04 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1tko n LEU 88 Cb 0.59 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1tko n LEU 88 CO 0.49 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1tko n GLY 89 N 0.15 0.86 0.96 -0.72 0.00 -1.10 -2.85 105.19 102.48 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 -2.14 0.06 2.82 -0.02 0.00 -0.59 -2.30 105.19 103.02 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 -0.97 1.17 0.43 1.61 1.01 -1.25 -4.20 120.40 118.20 1tko s VAL 91 Ca 0.17 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.49 1tko s VAL 91 Cb -0.01 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 1tko s VAL 91 CO 0.12 -0.50 1.34 -2.16 0.00 0.00 0.00 175.10 173.89 1tko s PRO 92 N 1.50 3.81 0.49 2.72 0.04 -1.26 -4.65 135.00 137.65 1tko s PRO 92 Ca 0.06 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 1tko s PRO 92 Cb -0.18 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 1tko s PRO 92 CO -0.17 -0.64 1.38 0.72 0.04 0.00 0.00 177.00 178.33 1tko n HIS 93 N -0.08 2.45 0.05 0.56 8.25 -1.26 -4.94 115.22 120.24 1tko n HIS 93 Ca 0.05 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1tko n HIS 93 Cb 0.43 -2.41 0.00 0.00 1.12 0.00 0.00 29.99 29.14 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 -0.57 3.00 -1.75 -1.41 0.00 -1.26 -4.97 120.51 113.56 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 0.20 0.05 0.00 0.00 0.00 0.00 19.45 20.12 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 -5.29 5.02 0.28 0.00 1.04 -1.26 -4.80 113.70 108.70 1tko s SER 95 Ca 0.00 2.53 -0.00 0.00 0.48 0.00 0.00 55.95 58.96 1tko s SER 95 Cb 0.00 -2.61 0.49 0.00 0.10 0.00 0.00 66.02 63.99 1tko s SER 95 CO 0.00 -1.72 1.89 -0.65 0.98 0.00 0.00 173.24 173.74 1tko h PRO 96 N 0.89 1.05 0.05 4.02 0.11 -1.99 -0.23 132.00 135.92 1tko h PRO 96 Ca -0.51 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1tko h PRO 96 Cb 1.31 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1tko h PRO 96 CO 0.55 0.70 -0.03 1.49 -0.21 0.00 0.00 178.00 180.50 1tko h GLU 97 N 1.09 -0.07 -0.59 1.05 4.81 -2.00 -1.85 114.58 117.01 1tko h GLU 97 Ca 0.43 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 1tko h GLU 97 Cb 0.24 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1tko h GLU 97 CO -0.18 -0.02 0.31 1.15 -0.73 0.00 0.00 179.01 179.54 1tko h THR 98 N -0.10 1.20 -0.19 0.32 2.02 -1.78 -1.82 112.91 112.56 1tko h THR 98 Ca -0.01 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1tko h THR 98 Cb 0.08 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1tko h THR 98 CO 0.01 0.22 0.06 -0.07 0.37 0.00 0.00 175.52 176.12 1tko h LEU 99 N 0.80 0.06 -0.33 2.58 3.38 -0.86 0.68 115.31 121.62 1tko h LEU 99 Ca 0.21 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1tko h LEU 99 Cb 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1tko h LEU 99 CO -0.03 0.06 -0.03 -0.61 0.09 0.00 0.00 178.44 177.93 1tko h GLN 100 N 0.15 0.60 -0.01 1.13 4.15 -1.26 -1.43 115.11 118.43 1tko h GLN 100 Ca 0.08 -0.20 0.03 0.00 0.77 0.00 0.00 58.65 59.33 1tko h GLN 100 Cb 0.06 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1tko h GLN 100 CO -0.09 0.74 -0.31 0.00 -1.93 0.00 0.00 178.83 177.24 1tko h ALA 101 N 0.83 -0.44 0.00 3.38 0.00 -1.12 -1.57 119.26 120.35 1tko h ALA 101 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1tko h ALA 101 Cb 0.49 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1tko h ALA 101 CO 0.02 -0.82 0.00 0.39 0.00 0.00 0.00 179.25 178.84 1tko n GLU 102 N -5.41 0.17 -2.64 0.00 -0.58 0.21 -4.75 120.64 107.65 1tko n GLU 102 Ca -0.05 0.47 -0.41 0.00 -0.42 0.00 0.00 57.16 56.76 1tko n GLU 102 Cb 0.32 -1.88 -0.05 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.26 0.62 0.00 -0.54 -4.82 121.76 114.72 1tko s ALA 103 Ca 0.03 0.69 0.23 0.00 0.00 0.00 0.00 51.96 52.90 1tko s ALA 103 Cb 0.08 -3.29 0.53 0.00 0.00 0.00 0.00 23.12 20.44 1tko s ALA 103 CO 0.33 -0.05 1.46 -1.13 0.00 0.00 0.00 175.76 176.38 1tko n SER 104 N 2.23 3.53 -5.00 0.00 3.41 -1.26 -4.98 113.62 111.55 1tko n SER 104 Ca 0.01 -1.99 -0.18 0.00 -0.26 0.00 0.00 58.87 56.46 1tko n SER 104 Cb 0.47 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.31 3.39 -0.39 -3.33 -7.23 -1.26 -5.07 120.40 105.20 1tko s VAL 105 Ca 0.42 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 59.38 1tko s VAL 105 Cb 0.23 -3.15 0.01 0.00 0.56 0.00 0.00 36.38 34.04 1tko s VAL 105 CO 0.32 -0.06 0.75 -1.81 -0.31 0.00 0.00 175.10 173.98 1tko s ASP 106 N -4.29 6.47 -0.09 4.85 1.01 -1.26 -5.05 116.67 118.31 1tko s ASP 106 Ca 0.51 0.12 -0.09 0.00 0.71 0.00 0.00 52.55 53.80 1tko s ASP 106 Cb -0.10 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1tko s ASP 106 CO 0.32 -0.76 0.22 0.54 0.21 0.00 0.00 175.17 175.70 1tko s VAL 107 N 3.06 5.37 0.44 -1.27 0.11 -1.26 -4.92 120.40 121.94 1tko s VAL 107 Ca 0.29 0.39 -0.23 0.00 -2.93 0.00 0.00 61.98 59.49 1tko s VAL 107 Cb -0.13 -3.49 -0.08 0.00 -1.53 0.00 0.00 36.38 31.15 1tko s VAL 107 CO 0.18 0.60 1.14 -1.61 -3.33 0.00 0.00 175.10 172.08 1tko s GLU 108 N -0.95 3.87 0.87 1.54 2.02 -1.26 -5.03 118.70 119.76 1tko s GLU 108 Ca 0.17 1.73 -0.11 0.00 0.02 0.00 0.00 54.97 56.78 1tko s GLU 108 Cb -0.13 -2.46 0.11 0.00 0.10 0.00 0.00 34.13 31.75 1tko s GLU 108 CO 0.06 -0.45 1.09 0.16 0.02 0.00 0.00 175.26 176.14 1tko s ASP 109 N -1.38 3.67 0.00 -0.19 3.84 -1.26 -4.82 116.67 116.53 1tko s ASP 109 Ca 0.62 1.56 0.00 0.00 -0.00 0.00 0.00 52.55 54.72 1tko s ASP 109 Cb -0.27 -2.24 0.00 0.00 -1.38 0.00 0.00 42.92 39.03 1tko s ASP 109 CO 0.34 -2.52 0.00 -0.62 -0.00 0.00 0.00 175.17 172.36 1tko n GLU 110 N -3.81 0.00 -3.07 2.11 -0.58 -1.26 -4.74 120.64 109.29 1tko n GLU 110 Ca 0.07 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.57 1tko n GLU 110 Cb 0.55 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 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 -1.46 6.06 -0.25 1.62 1.01 -1.26 -5.08 116.67 117.32 1tko s ASP 111 Ca 0.00 0.45 -0.07 0.00 0.71 0.00 0.00 52.55 53.64 1tko s ASP 111 Cb 0.00 -1.83 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 1tko s ASP 111 CO 0.00 -0.54 0.07 -0.69 0.21 0.00 0.00 175.17 174.22 1tko s VAL 112 N -2.50 4.33 0.33 -1.27 1.01 -1.26 -5.08 120.40 115.96 1tko s VAL 112 Ca 0.45 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1tko s VAL 112 Cb -0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1tko s VAL 112 CO 0.38 0.34 0.31 -0.31 0.00 0.00 0.00 175.10 175.83 1tko s TYR 113 N 1.56 2.93 1.01 5.22 1.51 -1.26 -5.10 117.35 123.22 1tko s TYR 113 Ca 0.06 -0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 55.69 1tko s TYR 113 Cb -0.15 -1.81 0.11 0.00 -0.11 0.00 0.00 41.96 40.00 1tko s TYR 113 CO 0.04 0.17 0.54 -0.40 -1.11 0.00 0.00 175.55 174.79 1tko n ASP 114 N -1.40 -1.63 -0.09 2.29 5.75 -1.26 -4.69 116.55 115.53 1tko n ASP 114 Ca -0.02 0.18 -0.03 0.00 -0.01 0.00 0.00 54.79 54.91 1tko n ASP 114 Cb 0.60 -1.21 0.20 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.90 1.23 -0.43 2.12 6.09 -1.99 -2.38 117.51 120.25 1tko h ILE 115 Ca -0.48 -0.92 -0.09 0.00 -1.37 0.00 0.00 64.86 62.00 1tko h ILE 115 Cb 1.30 0.86 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 1tko h ILE 115 CO 0.38 0.33 -0.09 0.03 -3.07 0.00 0.00 178.15 175.73 1tko h ARG 116 N 0.69 0.75 0.16 2.19 3.08 -1.99 0.33 114.38 119.60 1tko h ARG 116 Ca 0.14 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1tko h ARG 116 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1tko h ARG 116 CO 0.01 0.82 -0.08 1.15 -1.07 0.00 0.00 179.97 180.81 1tko h THR 117 N 0.68 0.97 0.35 2.04 2.02 -1.87 -1.47 112.91 115.63 1tko h THR 117 Ca 0.12 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1tko h THR 117 Cb 0.55 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1tko h THR 117 CO 0.03 0.16 -0.48 0.28 0.37 0.00 0.00 175.52 175.88 1tko h SER 118 N -0.56 -1.37 -0.71 4.18 0.02 -1.33 0.64 113.55 114.42 1tko h SER 118 Ca -0.02 0.12 0.15 0.00 -0.84 0.00 0.00 61.79 61.20 1tko h SER 118 Cb 0.43 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 63.34 1tko h SER 118 CO 0.04 -0.60 0.17 -0.07 -1.14 0.00 0.00 176.83 175.22 1tko h LEU 119 N -0.88 0.02 -1.10 5.07 4.07 -1.00 0.19 115.31 121.69 1tko h LEU 119 Ca -0.03 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.11 1tko h LEU 119 Cb 0.80 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.67 1tko h LEU 119 CO -0.14 -0.02 0.61 0.00 -1.08 0.00 0.00 178.44 177.81 1tko h ALA 120 N 1.58 1.42 -0.54 1.53 0.00 -0.53 -0.19 119.26 122.54 1tko h ALA 120 Ca 0.39 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1tko h ALA 120 Cb 0.64 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1tko h ALA 120 CO -0.48 0.47 -0.02 -0.91 0.00 0.00 0.00 179.25 178.31 1tko h ASN 121 N 1.15 0.95 -0.65 0.00 2.35 0.16 -2.64 115.58 116.91 1tko h ASN 121 Ca 0.38 -0.32 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1tko h ASN 121 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1tko h ASN 121 CO -0.12 1.04 0.07 0.44 -1.65 0.00 0.00 177.43 177.21 1tko h ASP 122 N 0.84 1.06 -0.80 5.81 3.32 -0.33 -1.73 116.42 124.59 1tko h ASP 122 Ca 0.15 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.00 1tko h ASP 122 Cb 0.57 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 1tko h ASP 122 CO 0.03 1.07 0.52 -0.03 -1.72 0.00 0.00 179.24 179.12 1tko h MET 123 N 1.02 0.82 -0.26 3.56 4.05 -0.93 0.71 114.93 123.90 1tko h MET 123 Ca 0.19 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1tko h MET 123 Cb 0.49 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1tko h MET 123 CO 0.02 0.54 0.12 0.00 0.23 0.00 0.00 176.91 177.82 1tko h ALA 124 N 1.57 0.33 -0.70 0.39 0.00 -0.97 -1.37 119.26 118.52 1tko h ALA 124 Ca 0.35 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1tko h ALA 124 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1tko h ALA 124 CO -0.13 -0.09 0.29 0.82 0.00 0.00 0.00 179.25 180.14 1tko h ILE 125 N 0.28 1.24 -0.08 0.00 2.04 -0.57 -2.78 117.51 117.65 1tko h ILE 125 Ca 0.09 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1tko h ILE 125 Cb 0.14 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1tko h ILE 125 CO -0.01 0.30 0.01 1.88 0.00 0.00 0.00 178.15 180.34 1tko h TYR 126 N 1.00 0.02 -0.63 1.37 -1.99 -0.67 -2.24 116.97 113.82 1tko h TYR 126 Ca 0.24 0.00 0.12 0.00 2.00 0.00 0.00 58.73 61.09 1tko h TYR 126 Cb 0.19 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.84 1tko h TYR 126 CO 0.01 0.01 0.18 0.78 -0.00 0.00 0.00 178.16 179.14 1tko h GLY 127 N 0.05 0.86 0.97 3.88 0.00 -1.08 0.52 103.07 108.26 1tko h GLY 127 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1tko h GLY 127 CO -0.05 -0.10 0.13 -0.55 0.00 0.00 0.00 176.54 175.98 1tko h ASP 128 N 0.31 0.73 -0.34 0.19 3.32 -1.27 -1.32 116.42 118.04 1tko h ASP 128 Ca 0.33 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1tko h ASP 128 Cb 0.49 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1tko h ASP 128 CO -0.39 0.76 -0.09 0.40 -1.72 0.00 0.00 179.24 178.20 1tko h ILE 129 N 0.66 1.25 -0.49 0.35 2.04 -0.74 -1.00 117.51 119.59 1tko h ILE 129 Ca 0.15 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1tko h ILE 129 Cb 0.31 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1tko h ILE 129 CO -0.00 0.39 0.04 0.40 0.00 0.00 0.00 178.15 178.98 1tko h ILE 130 N 0.70 1.26 -0.21 -0.67 2.04 0.31 -1.31 117.51 119.62 1tko h ILE 130 Ca 0.12 -1.00 -0.21 0.00 1.00 0.00 0.00 64.86 64.78 1tko h ILE 130 Cb 0.56 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1tko h ILE 130 CO 0.03 0.35 -0.67 -0.33 0.00 0.00 0.00 178.15 177.54 1tko h GLU 131 N 0.71 0.83 -0.89 2.37 5.08 -1.11 -2.45 114.58 119.11 1tko h GLU 131 Ca 0.14 -0.61 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1tko h GLU 131 Cb 0.45 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1tko h GLU 131 CO 0.02 1.23 0.50 0.00 -1.00 0.00 0.00 179.01 179.76 1tko h ALA 132 N 0.60 1.14 -0.34 3.43 0.00 -1.15 -2.87 119.26 120.07 1tko h ALA 132 Ca -0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1tko h ALA 132 Cb 1.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1tko h ALA 132 CO 0.14 0.64 -0.32 1.15 0.00 0.00 0.00 179.25 180.86 1tko h THR 133 N 1.24 1.28 -0.80 0.00 2.02 -1.21 -2.15 112.91 113.29 1tko h THR 133 Ca 0.32 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1tko h THR 133 Cb 0.01 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1tko h THR 133 CO -0.05 0.48 0.45 0.03 0.37 0.00 0.00 175.52 176.80 1tko h ARG 134 N 0.63 1.11 -0.19 6.66 3.08 -1.22 -1.71 114.38 122.74 1tko h ARG 134 Ca 0.07 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 1tko h ARG 134 Cb 0.85 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1tko h ARG 134 CO 0.07 0.80 -0.33 0.93 -1.07 0.00 0.00 179.97 180.38 1tko h GLU 135 N 1.12 0.55 -0.11 0.04 5.08 -1.40 -3.19 114.58 116.67 1tko h GLU 135 Ca 0.29 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1tko h GLU 135 Cb 0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1tko h GLU 135 CO -0.05 0.95 0.02 0.45 -1.00 0.00 0.00 179.01 179.38 1tko h HIS 136 N 0.21 0.14 -0.27 4.33 3.86 -1.05 0.02 115.15 122.39 1tko h HIS 136 Ca 0.01 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 1tko h HIS 136 Cb 0.92 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 1tko h HIS 136 CO 0.09 0.14 -0.40 1.79 0.86 0.00 0.00 177.93 180.41 1tko h THR 137 N 0.15 1.29 -0.07 2.45 1.35 -1.31 -0.48 112.91 116.29 1tko h THR 137 Ca 0.04 -1.58 -0.01 0.00 -0.55 0.00 0.00 66.41 64.31 1tko h THR 137 Cb 0.07 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1tko h THR 137 CO -0.00 0.50 0.01 -0.33 -0.25 0.00 0.00 175.52 175.45 1tko h GLU 138 N 0.54 0.12 -0.99 4.72 5.08 -1.30 0.14 114.58 122.89 1tko h GLU 138 Ca 0.04 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 1tko h GLU 138 Cb 0.93 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 1tko h GLU 138 CO 0.08 0.36 0.62 1.25 -1.00 0.00 0.00 179.01 180.32 1tko h LEU 139 N -0.14 0.79 -0.07 1.33 5.85 -0.86 0.18 115.31 122.39 1tko h LEU 139 Ca 0.02 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1tko h LEU 139 Cb 0.30 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.27 1tko h LEU 139 CO 0.00 0.33 -0.40 0.00 -0.34 0.00 0.00 178.44 178.03 1tko h ALA 140 N 1.61 0.15 -0.74 1.25 0.00 -0.58 -1.32 119.26 119.64 1tko h ALA 140 Ca 0.54 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1tko h ALA 140 Cb 0.81 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1tko h ALA 140 CO -0.32 0.26 0.34 0.93 0.00 0.00 0.00 179.25 180.46 1tko h GLU 141 N -0.07 1.06 -0.39 0.00 4.39 0.07 -0.63 114.58 119.01 1tko h GLU 141 Ca -0.03 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 1tko h GLU 141 Cb 1.06 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1tko h GLU 141 CO 0.08 0.83 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.83 1tko h ASN 142 N 1.05 0.70 0.00 1.42 -0.26 -0.67 -2.03 115.58 115.80 1tko h ASN 142 Ca 0.25 -0.32 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1tko h ASN 142 Cb 0.13 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1tko h ASN 142 CO -0.03 0.85 0.00 0.18 -1.06 0.00 0.00 177.43 177.37 1tko n LEU 143 N -4.43 0.00 0.00 1.61 4.77 -0.50 -4.81 117.00 113.64 1tko n LEU 143 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 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 0.03 0.78 3.36 -0.72 0.00 -0.76 -4.94 105.19 102.93 1tko n GLY 144 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.02 5.05 0.02 1.61 4.64 -0.27 -4.81 116.55 122.78 1tko n ASP 145 Ca 0.00 -2.98 0.00 0.00 -1.38 0.00 0.00 54.79 50.44 1tko n ASP 145 Cb 0.01 -1.60 0.32 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 6.95 0.48 0.35 -0.67 3.86 -1.88 -2.39 115.15 121.86 1tko h HIS 146 Ca 0.38 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.52 1tko h HIS 146 Cb 0.82 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1tko h HIS 146 CO 1.22 0.50 -0.19 0.00 0.86 0.00 0.00 177.93 180.32 1tko h ALA 147 N 1.54 -0.50 -0.90 2.45 0.00 -1.94 0.18 119.26 120.09 1tko h ALA 147 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1tko h ALA 147 Cb 0.33 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1tko h ALA 147 CO 0.01 -0.78 0.52 1.15 0.00 0.00 0.00 179.25 180.15 1tko h THR 148 N -0.50 1.25 0.44 0.00 2.02 -1.93 -0.70 112.91 113.50 1tko h THR 148 Ca -0.04 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1tko h THR 148 Cb 0.40 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1tko h THR 148 CO 0.06 0.28 -0.23 0.00 0.37 0.00 0.00 175.52 176.00 1tko h ALA 149 N 1.32 -0.62 -0.51 6.16 0.00 -1.16 -1.43 119.26 123.01 1tko h ALA 149 Ca 0.32 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1tko h ALA 149 Cb -0.01 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1tko h ALA 149 CO -0.06 -0.85 0.01 1.25 0.00 0.00 0.00 179.25 179.61 1tko h HIS 150 N -0.62 -0.00 0.18 0.00 -0.00 -0.24 -1.64 115.15 112.83 1tko h HIS 150 Ca -0.06 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1tko h HIS 150 Cb 0.49 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 1tko h HIS 150 CO -0.06 -0.10 -0.30 1.98 -0.00 0.00 0.00 177.93 179.45 1tko h MET 151 N 0.13 -0.53 -0.80 5.26 -1.53 -0.96 -1.53 114.93 114.97 1tko h MET 151 Ca 0.26 0.04 0.16 0.00 -3.44 0.00 0.00 59.70 56.72 1tko h MET 151 Cb 0.39 0.12 -0.10 0.00 -0.55 0.00 0.00 31.60 31.46 1tko h MET 151 CO -0.42 -0.36 0.32 -0.07 0.14 0.00 0.00 176.91 176.53 1tko h LEU 152 N -0.55 0.29 -0.27 3.39 3.38 -0.51 -0.54 115.31 120.49 1tko h LEU 152 Ca 0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1tko h LEU 152 Cb 0.55 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1tko h LEU 152 CO -0.13 0.08 0.12 0.03 0.09 0.00 0.00 178.44 178.62 1tko h ARG 153 N 0.44 0.40 -0.84 1.13 3.08 -0.97 0.46 114.38 118.07 1tko h ARG 153 Ca 0.46 -0.07 0.11 0.00 0.07 0.00 0.00 59.98 60.55 1tko h ARG 153 Cb 0.75 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.65 1tko h ARG 153 CO -0.44 0.41 0.48 0.93 -1.07 0.00 0.00 179.97 180.27 1tko h GLU 154 N 0.30 0.75 0.07 0.04 4.39 -0.12 0.22 114.58 120.22 1tko h GLU 154 Ca 0.09 -0.05 -0.26 0.00 0.34 0.00 0.00 59.36 59.49 1tko h GLU 154 Cb 0.15 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1tko h GLU 154 CO -0.01 0.50 -1.10 0.78 -1.16 0.00 0.00 179.01 178.02 1tko h GLY 155 N 0.77 0.47 0.70 -3.84 0.00 -0.89 -3.27 103.07 97.01 1tko h GLY 155 Ca 0.42 -0.95 0.05 0.00 0.00 0.00 0.00 47.33 46.85 1tko h GLY 155 CO -0.27 0.84 0.30 -2.00 0.00 0.00 0.00 176.54 175.40 1tko h LEU 156 N 0.19 0.43 -0.86 3.11 5.85 0.86 -1.20 115.31 123.70 1tko h LEU 156 Ca -0.12 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.74 1tko h LEU 156 Cb 1.77 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 1tko h LEU 156 CO 0.19 0.29 0.49 -0.29 -0.34 0.00 0.00 178.44 178.78 1tko h ILE 157 N 0.57 0.89 -0.16 4.05 -0.00 -1.05 -0.43 117.51 121.38 1tko h ILE 157 Ca 0.25 -0.28 -0.06 0.00 -0.00 0.00 0.00 64.86 64.78 1tko h ILE 157 Cb 0.16 0.01 -0.00 0.00 -0.00 0.00 0.00 36.82 36.99 1tko h ILE 157 CO -0.17 0.15 -0.12 -0.33 -0.00 0.00 0.00 178.15 177.67 1tko h GLU 158 N 0.80 0.36 -0.68 2.19 4.39 -1.40 -2.85 114.58 117.39 1tko h GLU 158 Ca 0.42 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.98 1tko h GLU 158 Cb 0.42 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 1tko h GLU 158 CO -0.27 0.72 0.41 -0.07 -1.16 0.00 0.00 179.01 178.65 1tko h LEU 159 N 0.01 0.66 -1.20 1.33 4.07 -0.76 -2.16 115.31 117.27 1tko h LEU 159 Ca 0.03 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 1tko h LEU 159 Cb 0.63 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1tko h LEU 159 CO 0.03 0.45 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.46 1tko h GLU 160 N 0.80 0.48 -0.23 1.13 5.08 -1.10 -1.66 114.58 119.08 1tko h GLU 160 Ca 0.28 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 1tko h GLU 160 Cb 0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1tko h GLU 160 CO -0.13 0.55 -0.42 0.22 -1.00 0.00 0.00 179.01 178.24 1tko h ASP 161 N 0.46 0.61 0.37 1.42 -0.00 -1.16 -1.22 116.42 116.90 1tko h ASP 161 Ca 0.09 -0.28 -0.15 0.00 -0.00 0.00 0.00 57.03 56.70 1tko h ASP 161 Cb 0.39 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1tko h ASP 161 CO 0.02 0.95 -0.63 0.44 -0.00 0.00 0.00 179.24 180.02 1tko h ASP 162 N 0.46 0.29 -0.20 2.28 3.32 -1.12 -1.96 116.42 119.49 1tko h ASP 162 Ca 0.04 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 1tko h ASP 162 Cb 0.93 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1tko h ASP 162 CO 0.08 0.84 -0.19 0.00 -1.72 0.00 0.00 179.24 178.26 1tko h ALA 163 N 1.16 0.30 0.00 3.45 0.00 -1.17 -2.65 119.26 120.34 1tko h ALA 163 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1tko h ALA 163 Cb 1.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1tko h ALA 163 CO 0.10 0.22 -0.12 1.25 0.00 0.00 0.00 179.25 180.70 1tko h HIS 164 N 0.16 0.00 -0.19 0.00 -0.00 -1.17 -1.48 115.15 112.48 1tko h HIS 164 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 1tko h HIS 164 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1tko h HIS 164 CO 0.08 0.12 -0.24 0.45 -0.00 0.00 0.00 177.93 178.34 1tko h HIS 165 N 0.00 0.61 -0.76 5.26 -0.00 -1.18 -2.21 115.15 116.88 1tko h HIS 165 Ca -0.00 -0.20 0.03 0.00 -0.00 0.00 0.00 60.37 60.20 1tko h HIS 165 Cb 0.23 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 1tko h HIS 165 CO 0.00 0.89 0.50 0.82 -0.00 0.00 0.00 177.93 180.14 1tko h ILE 166 N 0.16 1.14 -0.32 2.45 2.04 -1.05 -1.04 117.51 120.89 1tko h ILE 166 Ca 0.02 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1tko h ILE 166 Cb 0.81 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1tko h ILE 166 CO 0.06 0.17 -0.02 -0.08 0.00 0.00 0.00 178.15 178.29 1tko h GLU 167 N 0.95 0.49 0.00 2.37 4.81 -1.05 -2.17 114.58 119.98 1tko h GLU 167 Ca 0.30 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1tko h GLU 167 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1tko h GLU 167 CO -0.08 0.53 -0.62 0.45 -0.73 0.00 0.00 179.01 178.56 1tko h HIS 168 N 0.47 0.00 -0.14 0.92 3.86 -0.60 -2.76 115.15 116.90 1tko h HIS 168 Ca 0.10 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 1tko h HIS 168 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1tko h HIS 168 CO 0.01 0.62 -0.49 1.88 0.86 0.00 0.00 177.93 180.81 1tko h TYR 169 N 0.00 0.45 0.00 2.45 0.05 -0.74 -3.08 116.97 116.10 1tko h TYR 169 Ca -0.01 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1tko h TYR 169 Cb 1.34 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1tko h TYR 169 CO 0.00 0.79 -0.25 1.28 -1.05 0.00 0.00 178.16 178.93 1tko n LEU 170 N -3.97 0.68 -4.51 3.88 4.77 -0.87 -4.92 117.00 112.06 1tko n LEU 170 Ca -0.02 0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 56.04 1tko n LEU 170 Cb 0.55 -0.28 0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1tko n LEU 170 CO 0.44 -0.10 0.21 -0.62 -1.33 0.00 0.00 177.39 175.99 1tko n GLU 171 N -2.09 -0.08 -2.48 3.23 -0.58 -1.05 -4.88 120.64 112.70 1tko n GLU 171 Ca 0.05 0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.39 1tko n GLU 171 Cb 0.42 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 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 -1.85 5.14 -3.75 1.62 5.75 -1.26 -4.92 116.55 117.28 1tko n ASP 172 Ca 0.09 -3.09 -0.10 0.00 -0.01 0.00 0.00 54.79 51.69 1tko n ASP 172 Cb 0.52 -1.49 -0.04 0.00 -1.03 0.00 0.00 41.12 39.07 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 1.22 -0.22 -0.16 -1.12 -1.08 -1.26 -5.18 116.67 108.87 1tko s ASP 173 Ca 0.40 -0.50 -0.35 0.00 -0.52 0.00 0.00 52.55 51.58 1tko s ASP 173 Cb 0.07 0.54 0.14 0.00 -1.46 0.00 0.00 42.92 42.21 1tko s ASP 173 CO 0.01 -1.00 1.35 0.28 0.52 0.00 0.00 175.17 176.33 1tko s THR 174 N -3.87 0.00 -0.20 1.71 -1.32 -1.26 -5.00 115.64 105.69 1tko s THR 174 Ca 0.09 -0.05 0.22 0.00 -1.21 0.00 0.00 61.69 60.74 1tko s THR 174 Cb 0.00 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.44 1tko s THR 174 CO -0.04 0.00 0.95 0.18 -2.21 0.00 0.00 174.62 173.50 1tko n LEU 175 N -0.27 0.76 -4.75 9.08 4.77 -1.26 -4.91 117.00 120.43 1tko n LEU 175 Ca -0.03 0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 1tko n LEU 175 Cb 0.60 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1tko n LEU 175 CO 0.10 -0.13 1.23 -0.69 -1.33 0.00 0.00 177.39 176.57 1tko s VAL 176 N -3.33 2.14 0.12 4.08 1.01 -1.26 -5.01 120.40 118.16 1tko s VAL 176 Ca -0.02 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.19 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 -0.26 0.42 0.00 0.00 0.00 175.10 176.08 1tko s THR 177 N 0.04 2.20 0.43 3.92 -4.23 -1.26 -5.01 115.64 111.73 1tko s THR 177 Ca 0.63 -1.70 0.18 0.00 -1.18 0.00 0.00 61.69 59.62 1tko s THR 177 Cb -0.47 -1.95 0.39 0.00 1.34 0.00 0.00 72.50 71.81 1tko s THR 177 CO 0.47 0.11 1.86 -0.61 -0.54 0.00 0.00 174.62 175.90 1tko h GLN 178 N 3.99 0.37 0.32 3.99 5.75 -2.01 -1.65 115.11 125.88 1tko h GLN 178 Ca -0.50 -0.02 -0.01 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 0.40 0.24 -0.25 0.78 -2.65 0.00 0.00 178.83 177.35 1tko h GLY 179 N 0.38 -0.91 -0.04 2.39 0.00 -2.01 -2.62 103.07 100.25 1tko h GLY 179 Ca 0.47 0.40 0.27 0.00 0.00 0.00 0.00 47.33 48.47 1tko h GLY 179 CO -0.17 -0.30 0.76 0.00 0.00 0.00 0.00 176.54 176.83 1tko h ALA 180 N -1.42 2.82 0.00 3.60 0.00 -1.72 -3.55 119.26 118.98 1tko h ALA 180 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tko h ALA 180 Cb 0.46 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1tko h ALA 180 CO 0.01 -1.24 0.00 1.28 0.00 0.00 0.00 179.25 179.29