#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tko n THR 3 N 0.00 1.26 -2.15 2.46 -1.04 -1.26 -3.78 114.28 109.77 1tko n THR 3 Ca 0.00 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.05 61.57 1tko n THR 3 Cb 0.00 -0.73 -0.02 0.00 -1.82 0.00 0.00 70.33 67.75 1tko n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tko n GLN 4 N 0.12 0.00 -2.98 -2.82 6.02 -1.26 -5.14 117.38 111.32 1tko n GLN 4 Ca 0.12 -1.15 -0.19 0.00 -0.01 0.00 0.00 57.00 55.78 1tko n GLN 4 Cb 0.69 0.14 0.04 0.00 1.02 0.00 0.00 30.24 32.13 1tko n GLN 4 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1tko s LYS 5 N 0.00 2.47 -0.20 -1.09 1.02 -1.25 -5.08 119.74 115.61 1tko s LYS 5 Ca 0.10 -1.43 -0.10 0.00 0.02 0.00 0.00 55.97 54.56 1tko s LYS 5 Cb 0.12 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.68 1tko s LYS 5 CO -0.05 -0.68 -0.26 0.09 -0.92 0.00 0.00 175.35 173.53 1tko n ASN 6 N -2.14 1.45 -4.75 2.83 3.02 -1.26 -4.99 115.26 109.43 1tko n ASN 6 Ca 0.13 0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.52 1tko n ASN 6 Cb 0.61 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1tko n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tko s ALA 7 N -2.39 3.48 0.35 5.41 0.00 -1.26 -4.92 121.76 122.44 1tko s ALA 7 Ca -0.28 1.08 0.15 0.00 0.00 0.00 0.00 51.96 52.90 1tko s ALA 7 Cb 0.11 -3.44 0.80 0.00 0.00 0.00 0.00 23.12 20.59 1tko s ALA 7 CO 0.36 -0.46 1.84 0.00 0.00 0.00 0.00 175.76 177.50 1tko h ARG 8 N 4.51 0.00 -3.31 0.00 3.08 -2.04 -3.45 114.38 113.18 1tko h ARG 8 Ca -0.46 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 1tko h ARG 8 Cb 1.22 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.11 1tko h ARG 8 CO 0.72 0.35 -0.20 0.00 -1.07 0.00 0.00 179.97 179.76 1tko s ALA 9 N -4.11 -0.74 -0.12 0.04 0.00 -1.26 -5.16 121.76 110.41 1tko s ALA 9 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1tko s ALA 9 Cb 0.14 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1tko s ALA 9 CO 0.70 -0.47 -0.15 0.99 0.00 0.00 0.00 175.76 176.84 1tko s THR 10 N -2.85 2.91 0.03 0.00 2.01 -1.26 -5.07 115.64 111.41 1tko s THR 10 Ca -0.03 -0.72 -0.37 0.00 0.31 0.00 0.00 61.69 60.88 1tko s THR 10 Cb 0.00 -2.20 -0.16 0.00 0.01 0.00 0.00 72.50 70.15 1tko s THR 10 CO -0.05 0.53 1.44 0.00 -0.69 0.00 0.00 174.62 175.85 1tko n ALA 11 N 3.45 -0.58 0.00 7.40 0.00 -1.26 -0.84 120.51 128.68 1tko n ALA 11 Ca -0.18 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1tko n ALA 11 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 2.92 2.32 3.79 0.00 0.00 -1.26 -5.07 105.19 107.88 1tko n GLY 12 Ca 0.20 0.00 -0.37 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 -0.20 4.51 -0.41 1.61 2.02 -0.02 -4.98 118.70 121.23 1tko s GLU 13 Ca 0.00 1.19 0.02 0.00 0.02 0.00 0.00 54.97 56.20 1tko s GLU 13 Cb 0.00 -2.91 0.15 0.00 0.10 0.00 0.00 34.13 31.47 1tko s GLU 13 CO 0.00 0.36 0.26 0.08 0.02 0.00 0.00 175.26 175.99 1tko s VAL 14 N -1.51 0.78 -1.85 2.63 1.01 -1.26 -3.90 120.40 116.31 1tko s VAL 14 Ca 0.46 -2.34 0.17 0.00 0.00 0.00 0.00 61.98 60.26 1tko s VAL 14 Cb -0.19 -1.55 0.42 0.00 0.00 0.00 0.00 36.38 35.06 1tko s VAL 14 CO 0.24 -1.01 1.42 -1.84 0.00 0.00 0.00 175.10 173.91 1tko n GLU 15 N 3.51 0.44 0.00 2.72 0.28 -0.95 -4.67 120.64 121.97 1tko n GLU 15 Ca 0.15 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1tko n GLU 15 Cb 0.38 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.75 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 0.06 -0.22 3.40 -1.84 0.00 -1.10 -4.42 105.19 101.06 1tko n GLY 16 Ca 0.11 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.60 0.11 1.61 0.15 0.22 -3.01 113.70 108.18 1tko s SER 17 Ca 0.00 1.17 -0.08 0.00 0.70 0.00 0.00 55.95 57.74 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 7.76 0.67 -0.60 5.45 3.32 -1.90 0.11 116.42 131.23 1tko h ASP 18 Ca -0.23 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.27 1tko h ASP 18 Cb 1.14 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 1tko h ASP 18 CO 0.16 1.33 0.27 0.00 -1.72 0.00 0.00 179.24 179.27 1tko h ALA 19 N 0.63 0.78 -0.10 3.45 0.00 -1.95 -2.15 119.26 119.93 1tko h ALA 19 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1tko h ALA 19 Cb 1.60 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1tko h ALA 19 CO 0.18 0.37 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1tko n LEU 20 N -4.49 1.17 -3.87 0.00 4.77 -1.23 -4.93 117.00 108.43 1tko n LEU 20 Ca 0.04 -0.47 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 1tko n LEU 20 Cb 0.14 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1tko n LEU 20 CO 0.38 0.24 -0.08 0.54 -1.33 0.00 0.00 177.39 177.14 1tko n ARG 21 N -0.02 -4.41 -4.03 3.23 5.12 -0.81 -4.97 116.66 110.77 1tko n ARG 21 Ca 0.17 0.53 -0.31 0.00 -1.93 0.00 0.00 57.85 56.30 1tko n ARG 21 Cb 0.26 -5.04 -0.16 0.00 -1.16 0.00 0.00 32.46 26.36 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 2.14 0.32 5.56 1.75 0.34 -5.03 119.30 118.02 1tko s MET 22 Ca 0.20 -1.03 -0.28 0.00 -1.25 0.00 0.00 55.69 53.34 1tko s MET 22 Cb -0.11 -2.62 -0.09 0.00 2.84 0.00 0.00 34.83 34.86 1tko s MET 22 CO 0.85 -0.48 1.08 0.16 -0.65 0.00 0.00 175.02 175.98 1tko s ASP 23 N 1.29 7.08 0.65 1.11 -4.77 -1.26 -0.61 116.67 120.15 1tko s ASP 23 Ca -0.04 2.19 0.25 0.00 -3.30 0.00 0.00 52.55 51.65 1tko s ASP 23 Cb -0.18 -2.61 1.34 0.00 -1.09 0.00 0.00 42.92 40.38 1tko s ASP 23 CO -0.07 -0.27 1.75 0.00 0.70 0.00 0.00 175.17 177.28 1tko h ALA 24 N 3.35 1.43 0.44 2.11 0.00 -1.83 -0.17 119.26 124.58 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 -0.21 0.22 0.00 0.00 0.00 179.25 179.49 1tko h ASP 25 N 0.00 -0.50 -0.15 0.00 1.82 -1.91 -2.34 116.42 113.34 1tko h ASP 25 Ca 0.00 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1tko h ASP 25 Cb 0.86 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1tko h ASP 25 CO 0.00 -0.09 0.08 0.03 -1.61 0.00 0.00 179.24 177.65 1tko h ARG 26 N -1.12 0.22 -0.30 0.28 3.08 -1.67 -3.23 114.38 111.64 1tko h ARG 26 Ca -0.06 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1tko h ARG 26 Cb 0.45 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 1tko h ARG 26 CO 0.10 0.23 -0.55 0.00 -1.07 0.00 0.00 179.97 178.67 1tko h ALA 27 N 0.98 -0.83 -1.29 0.04 0.00 -1.18 -1.75 119.26 115.23 1tko h ALA 27 Ca 0.05 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.32 1tko h ALA 27 Cb 0.07 1.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1tko h ALA 27 CO -0.01 -1.07 0.88 1.49 0.00 0.00 0.00 179.25 180.54 1tko h GLU 28 N -0.48 0.12 -0.34 0.00 4.81 -1.43 0.29 114.58 117.55 1tko h GLU 28 Ca 0.06 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1tko h GLU 28 Cb 0.63 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1tko h GLU 28 CO -0.53 0.08 0.08 1.96 -0.73 0.00 0.00 179.01 179.87 1tko h GLN 29 N 0.12 0.55 0.15 1.92 4.20 -1.41 -1.85 115.11 118.79 1tko h GLN 29 Ca 0.69 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 59.26 1tko h GLN 29 Cb 2.35 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.06 1tko h GLN 29 CO -0.18 0.60 -0.07 0.00 -0.67 0.00 0.00 178.83 178.51 1tko h VAL 31 N -0.67 0.52 0.06 0.00 2.07 -1.11 0.52 116.25 117.64 1tko h VAL 31 Ca -0.02 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.21 1tko h VAL 31 Cb 0.49 0.48 0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1tko h VAL 31 CO 0.03 0.01 -1.13 0.44 0.02 0.00 0.00 177.57 176.95 1tko h ASP 32 N 0.04 0.78 0.28 0.57 5.19 -1.31 -2.01 116.42 119.96 1tko h ASP 32 Ca 0.47 -0.68 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1tko h ASP 32 Cb 1.80 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 41.08 1tko h ASP 32 CO -0.03 1.49 -0.14 0.00 -3.12 0.00 0.00 179.24 177.44 1tko h ALA 33 N 0.45 -0.38 -0.16 3.45 0.00 -0.10 -2.95 119.26 119.58 1tko h ALA 33 Ca -0.14 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1tko h ALA 33 Cb 1.79 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 1tko h ALA 33 CO 0.21 -0.51 -0.10 -0.07 0.00 0.00 0.00 179.25 178.78 1tko h LEU 34 N -0.79 -0.33 -2.22 0.00 3.38 -0.31 -2.19 115.31 112.86 1tko h LEU 34 Ca -0.04 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1tko h LEU 34 Cb 0.51 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1tko h LEU 34 CO 0.06 -0.14 0.02 -1.13 0.09 0.00 0.00 178.44 177.35 1tko h ASN 35 N -0.10 0.00 -0.31 -0.43 -0.73 -1.45 0.15 115.58 112.71 1tko h ASN 35 Ca 0.09 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.14 1tko h ASN 35 Cb 0.24 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1tko h ASN 35 CO -0.22 0.00 -0.29 0.00 -0.37 0.00 0.00 177.43 176.55 1tko h ALA 36 N 1.98 0.45 -0.24 1.57 0.00 -1.22 -3.00 119.26 118.80 1tko h ALA 36 Ca 0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1tko h ALA 36 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1tko h ALA 36 CO -0.00 0.47 -0.21 -0.44 0.00 0.00 0.00 179.25 179.07 1tko h ASP 37 N 0.50 0.61 -0.79 0.00 3.32 -0.84 -3.04 116.42 116.19 1tko h ASP 37 Ca 0.05 -0.46 0.18 0.00 0.02 0.00 0.00 57.03 56.82 1tko h ASP 37 Cb 0.86 -0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.13 1tko h ASP 37 CO 0.07 0.94 0.22 0.25 -1.72 0.00 0.00 179.24 179.01 1tko h LEU 38 N 0.28 0.06 -0.38 1.55 5.85 -0.75 0.15 115.31 122.08 1tko h LEU 38 Ca 0.04 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1tko h LEU 38 Cb 0.76 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1tko h LEU 38 CO 0.05 -0.05 0.12 0.00 -0.34 0.00 0.00 178.44 178.23 1tko h ALA 39 N 1.65 0.50 -0.44 1.25 0.00 -1.50 -1.14 119.26 119.59 1tko h ALA 39 Ca 0.46 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1tko h ALA 39 Cb 0.82 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1tko h ALA 39 CO -0.54 0.15 0.09 -0.91 0.00 0.00 0.00 179.25 178.04 1tko h ASN 40 N 0.47 0.68 -0.26 0.00 2.35 -1.00 -2.37 115.58 115.45 1tko h ASN 40 Ca 0.12 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1tko h ASN 40 Cb 0.25 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1tko h ASN 40 CO -0.00 0.75 -0.12 0.58 -1.65 0.00 0.00 177.43 176.99 1tko h VAL 41 N 0.58 1.25 0.00 2.81 2.07 -0.71 -1.42 116.25 120.83 1tko h VAL 41 Ca 0.13 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 1tko h VAL 41 Cb 0.35 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1tko h VAL 41 CO 0.01 0.38 -0.42 1.88 0.02 0.00 0.00 177.57 179.43 1tko h TYR 42 N 0.62 0.00 0.05 1.57 0.99 -1.05 0.17 116.97 119.32 1tko h TYR 42 Ca 0.11 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.60 1tko h TYR 42 Cb 0.56 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.28 1tko h TYR 42 CO 0.03 0.42 -1.09 -0.39 -0.00 0.00 0.00 178.16 177.13 1tko h VAL 43 N 0.00 1.61 -0.54 -2.88 -1.51 -1.20 -2.73 116.25 109.01 1tko h VAL 43 Ca -0.00 -3.22 -0.00 0.00 -1.23 0.00 0.00 66.70 62.24 1tko h VAL 43 Cb 0.95 2.86 -0.03 0.00 -2.13 0.00 0.00 31.29 32.94 1tko h VAL 43 CO 0.05 0.93 0.33 0.25 -1.23 0.00 0.00 177.57 177.90 1tko h LEU 44 N 0.04 0.65 0.02 4.19 5.85 -0.79 -0.55 115.31 124.71 1tko h LEU 44 Ca -0.06 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1tko h LEU 44 Cb 1.83 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.65 1tko h LEU 44 CO 0.16 0.51 -0.29 0.22 -0.34 0.00 0.00 178.44 178.70 1tko h TYR 45 N 0.72 -0.79 -0.00 1.25 3.20 -0.62 0.29 116.97 121.01 1tko h TYR 45 Ca 0.19 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1tko h TYR 45 Cb -0.02 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1tko h TYR 45 CO -0.03 -0.38 -0.15 0.45 -1.64 0.00 0.00 178.16 176.41 1tko h HIS 46 N -0.45 0.01 -0.06 -3.82 3.86 -1.16 -1.11 115.15 112.42 1tko h HIS 46 Ca 0.06 -0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.05 1tko h HIS 46 Cb 0.52 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.01 1tko h HIS 46 CO -0.31 0.16 -0.83 0.37 0.86 0.00 0.00 177.93 178.18 1tko h GLN 47 N 0.01 0.66 -0.74 2.45 4.15 -0.48 -1.73 115.11 119.42 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 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1tko h GLN 47 CO 0.02 1.24 0.31 -0.07 -1.93 0.00 0.00 178.83 178.40 1tko h LEU 48 N 0.32 1.00 0.10 -2.39 3.38 -0.62 -0.80 115.31 116.29 1tko h LEU 48 Ca -0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1tko h LEU 48 Cb 1.48 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1tko h LEU 48 CO 0.17 0.87 -0.05 0.11 0.09 0.00 0.00 178.44 179.63 1tko h LYS 49 N 1.07 -0.13 -0.30 1.13 1.79 -1.17 0.59 116.57 119.55 1tko h LYS 49 Ca 0.25 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.79 1tko h LYS 49 Cb 0.18 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.78 1tko h LYS 49 CO -0.02 -0.06 -0.40 -0.22 -1.08 0.00 0.00 179.45 177.67 1tko h LYS 50 N -0.17 -0.35 -0.10 3.15 3.64 -0.63 0.25 116.57 122.35 1tko h LYS 50 Ca -0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1tko h LYS 50 Cb 0.14 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1tko h LYS 50 CO 0.02 -0.24 -0.04 0.45 -2.27 0.00 0.00 179.45 177.37 1tko h HIS 51 N -0.37 0.15 -0.08 1.91 3.86 -1.02 -1.03 115.15 118.57 1tko h HIS 51 Ca 0.12 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1tko h HIS 51 Cb 0.59 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1tko h HIS 51 CO -0.55 0.20 0.04 1.25 0.86 0.00 0.00 177.93 179.73 1tko h HIS 52 N 0.15 0.11 -0.49 2.45 -0.00 0.16 -0.79 115.15 116.73 1tko h HIS 52 Ca 0.03 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 1tko h HIS 52 Cb 0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1tko h HIS 52 CO 0.00 0.17 -0.07 -1.49 -0.00 0.00 0.00 177.93 176.54 1tko h TRP 53 N 0.01 1.01 0.03 5.26 6.55 0.01 -3.36 115.95 125.46 1tko h TRP 53 Ca 0.03 -0.20 -0.28 0.00 0.95 0.00 0.00 58.89 59.38 1tko h TRP 53 Cb 0.10 -0.25 -0.03 0.00 -0.86 0.00 0.00 29.16 28.12 1tko h TRP 53 CO -0.04 0.97 -1.56 -0.91 -1.05 0.00 0.00 178.44 175.85 1tko h ASN 54 N 0.76 0.11 -1.04 -3.49 2.35 -1.16 -3.48 115.58 109.64 1tko h ASN 54 Ca 0.13 -0.19 -0.75 0.00 -0.55 0.00 0.00 56.30 54.94 1tko h ASN 54 Cb 0.61 -0.04 0.07 0.00 0.05 0.00 0.00 38.32 39.02 1tko h ASN 54 CO 0.04 1.17 -0.12 0.55 -1.65 0.00 0.00 177.43 177.41 1tko n VAL 55 N -3.22 0.68 -4.22 2.81 3.14 -0.31 -4.98 118.33 112.23 1tko n VAL 55 Ca -0.15 -0.17 -0.13 0.00 -2.96 0.00 0.00 64.34 60.94 1tko n VAL 55 Cb 1.03 -0.04 -0.10 0.00 -1.06 0.00 0.00 33.84 33.67 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 -0.33 1.24 0.00 1.45 2.02 -1.26 -4.94 118.70 116.87 1tko s GLU 56 Ca 0.82 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1tko s GLU 56 Cb -1.14 0.21 0.00 0.00 0.10 0.00 0.00 34.13 33.30 1tko s GLU 56 CO 0.56 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1tko n GLY 57 N -0.30 -0.01 0.21 -1.39 0.00 -1.26 -4.52 105.19 97.92 1tko n GLY 57 Ca 0.02 -2.25 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.87 4.61 0.00 -2.06 -3.16 119.26 118.14 1tko h ALA 58 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 54.91 53.92 1tko h ALA 58 Cb 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.54 1tko h ALA 58 CO 0.00 0.70 0.47 0.39 0.00 0.00 0.00 179.25 180.81 1tko n GLU 59 N -3.91 2.87 0.19 0.00 4.71 -1.26 -4.68 120.64 118.55 1tko n GLU 59 Ca -0.07 -3.05 -0.15 0.00 -0.01 0.00 0.00 57.16 53.88 1tko n GLU 59 Cb 0.75 -2.18 -0.08 0.00 -1.01 0.00 0.00 31.44 28.91 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 1.71 -0.37 -0.47 -0.32 3.57 -1.78 -2.23 116.94 117.05 1tko h PHE 60 Ca 0.47 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.87 1tko h PHE 60 Cb 2.61 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 41.45 1tko h PHE 60 CO 1.45 -0.23 -0.04 -0.09 -2.23 0.00 0.00 178.31 177.17 1tko h ARG 61 N -0.40 0.81 -0.29 1.11 2.43 -1.86 0.23 114.38 116.41 1tko h ARG 61 Ca -0.04 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1tko h ARG 61 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1tko h ARG 61 CO 0.07 0.84 0.15 0.22 -1.51 0.00 0.00 179.97 179.73 1tko h ASP 62 N 0.75 0.37 0.30 -3.80 -0.00 -1.90 -2.36 116.42 109.78 1tko h ASP 62 Ca 0.14 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.03 56.91 1tko h ASP 62 Cb 0.51 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.73 1tko h ASP 62 CO 0.03 0.38 -0.60 -0.07 -0.00 0.00 0.00 179.24 178.98 1tko h LEU 63 N 0.34 0.34 -0.53 2.28 3.38 -1.16 -2.23 115.31 117.73 1tko h LEU 63 Ca 0.10 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1tko h LEU 63 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1tko h LEU 63 CO -0.01 0.86 0.30 -0.74 0.09 0.00 0.00 178.44 178.93 1tko h HIS 64 N 0.22 0.55 -0.13 1.13 2.76 -0.33 0.23 115.15 119.58 1tko h HIS 64 Ca -0.00 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 1tko h HIS 64 Cb 1.11 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1tko h HIS 64 CO 0.03 0.29 -0.32 -0.07 -1.30 0.00 0.00 177.93 176.56 1tko h LEU 65 N 0.58 0.52 0.10 0.26 3.38 -1.39 -2.38 115.31 116.37 1tko h LEU 65 Ca 0.22 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1tko h LEU 65 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1tko h LEU 65 CO -0.12 1.00 -0.11 0.15 0.09 0.00 0.00 178.44 179.45 1tko h PHE 66 N 0.06 -0.27 -0.38 1.13 3.57 -1.09 -1.75 116.94 118.20 1tko h PHE 66 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1tko h PHE 66 Cb 0.93 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1tko h PHE 66 CO 0.10 -0.16 0.12 -0.07 -2.23 0.00 0.00 178.31 176.07 1tko h LEU 67 N -0.23 0.50 -0.23 0.59 3.38 -0.62 -0.55 115.31 118.15 1tko h LEU 67 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1tko h LEU 67 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1tko h LEU 67 CO -0.04 0.48 0.13 1.23 0.09 0.00 0.00 178.44 180.33 1tko h GLY 68 N 0.74 0.35 0.98 0.83 0.00 -1.00 0.39 103.07 105.36 1tko h GLY 68 Ca 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1tko h GLY 68 CO -0.01 0.15 0.26 0.83 0.00 0.00 0.00 176.54 177.78 1tko h GLU 69 N 0.26 0.79 -0.60 4.80 5.08 -0.80 -1.41 114.58 122.70 1tko h GLU 69 Ca 0.08 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1tko h GLU 69 Cb 0.07 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1tko h GLU 69 CO -0.01 0.65 0.37 0.00 -1.00 0.00 0.00 179.01 179.01 1tko h ALA 70 N 1.10 0.78 -0.57 3.43 0.00 -0.87 0.08 119.26 123.21 1tko h ALA 70 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1tko h ALA 70 Cb 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1tko h ALA 70 CO -0.02 0.11 0.36 0.00 0.00 0.00 0.00 179.25 179.70 1tko h ALA 71 N 1.26 0.74 -0.60 0.00 0.00 -0.49 -1.26 119.26 118.91 1tko h ALA 71 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1tko h ALA 71 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1tko h ALA 71 CO -0.10 0.10 0.36 1.49 0.00 0.00 0.00 179.25 181.10 1tko h GLU 72 N 0.71 0.82 -0.45 0.00 4.81 -0.43 -1.31 114.58 118.73 1tko h GLU 72 Ca 0.23 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1tko h GLU 72 Cb -0.01 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1tko h GLU 72 CO -0.09 0.59 0.26 1.15 -0.73 0.00 0.00 179.01 180.20 1tko h THR 73 N 0.82 1.15 -0.56 0.32 2.02 -0.62 -1.47 112.91 114.57 1tko h THR 73 Ca 0.22 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1tko h THR 73 Cb -0.01 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1tko h THR 73 CO -0.04 0.15 0.33 0.00 0.37 0.00 0.00 175.52 176.33 1tko h ALA 74 N 1.11 0.72 -0.96 6.16 0.00 -0.86 0.18 119.26 125.62 1tko h ALA 74 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1tko h ALA 74 Cb 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1tko h ALA 74 CO -0.03 0.04 0.59 1.49 0.00 0.00 0.00 179.25 181.35 1tko h GLU 75 N 0.65 1.29 -0.37 0.00 4.81 -0.81 0.13 114.58 120.27 1tko h GLU 75 Ca 0.23 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1tko h GLU 75 Cb 0.04 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1tko h GLU 75 CO -0.11 0.89 -0.08 0.93 -0.73 0.00 0.00 179.01 179.91 1tko h GLU 76 N 1.31 0.71 -0.48 1.92 5.08 -0.68 -0.97 114.58 121.47 1tko h GLU 76 Ca 0.35 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1tko h GLU 76 Cb -0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1tko h GLU 76 CO -0.07 0.85 0.27 0.28 -1.00 0.00 0.00 179.01 179.34 1tko h VAL 77 N 0.51 1.17 -0.69 3.13 2.07 -0.56 -1.28 116.25 120.60 1tko h VAL 77 Ca 0.10 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1tko h VAL 77 Cb 0.58 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1tko h VAL 77 CO 0.03 0.18 0.43 0.00 0.02 0.00 0.00 177.57 178.24 1tko h ALA 78 N 1.11 0.90 -0.80 1.67 0.00 -0.57 -1.32 119.26 120.25 1tko h ALA 78 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1tko h ALA 78 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1tko h ALA 78 CO -0.03 0.21 0.42 0.22 0.00 0.00 0.00 179.25 180.08 1tko h ASP 79 N 0.85 1.02 -0.34 0.00 3.58 -0.76 0.10 116.42 120.87 1tko h ASP 79 Ca 0.28 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1tko h ASP 79 Cb 0.01 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1tko h ASP 79 CO -0.10 0.84 0.21 -0.33 -2.88 0.00 0.00 179.24 176.98 1tko h GLU 80 N 1.12 0.46 0.94 0.28 4.39 -0.60 -1.35 114.58 119.81 1tko h GLU 80 Ca 0.28 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 1tko h GLU 80 Cb 0.06 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1tko h GLU 80 CO -0.04 0.34 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.63 1tko h LEU 81 N 0.45 -1.07 -0.92 1.33 -0.00 -0.82 -1.23 115.31 113.05 1tko h LEU 81 Ca 0.12 0.04 0.24 0.00 -0.00 0.00 0.00 57.88 58.28 1tko h LEU 81 Cb -0.01 0.28 -0.13 0.00 -0.00 0.00 0.00 40.66 40.80 1tko h LEU 81 CO -0.02 -0.73 0.42 0.00 -0.00 0.00 0.00 178.44 178.11 1tko h ALA 82 N -1.30 1.52 0.00 1.53 0.00 -0.95 0.19 119.26 120.26 1tko h ALA 82 Ca -0.13 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1tko h ALA 82 Cb 0.97 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1tko h ALA 82 CO 0.21 -0.38 -0.43 0.93 0.00 0.00 0.00 179.25 179.58 1tko h GLU 83 N 0.39 0.00 0.02 0.00 5.08 -1.17 -2.19 114.58 116.71 1tko h GLU 83 Ca 0.59 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.73 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 -0.55 0.43 -0.97 -0.09 -1.00 0.00 0.00 179.01 176.83 1tko h ARG 84 N 0.00 0.30 0.49 2.33 9.65 0.53 -1.73 114.38 125.95 1tko h ARG 84 Ca -0.00 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.49 1tko h ARG 84 Cb 1.16 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1tko h ARG 84 CO 0.06 1.07 -0.23 0.28 2.80 0.00 0.00 179.97 183.94 1tko h VAL 85 N 0.16 0.49 -0.21 0.20 2.07 -0.79 -1.08 116.25 117.08 1tko h VAL 85 Ca -0.08 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1tko h VAL 85 Cb 1.63 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1tko h VAL 85 CO 0.16 0.04 0.16 -0.61 0.02 0.00 0.00 177.57 177.34 1tko h GLN 86 N -0.82 0.00 -0.27 1.57 -0.00 -1.44 -0.17 115.11 113.98 1tko h GLN 86 Ca -0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.40 1tko h GLN 86 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.05 1tko h GLN 86 CO 0.11 0.00 -0.55 0.00 0.00 0.00 0.00 178.83 178.38 1tko h ALA 87 N 1.89 0.51 0.00 3.38 0.00 -0.97 -2.93 119.26 121.14 1tko h ALA 87 Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1tko h ALA 87 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 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 -3.99 0.41 0.00 0.00 4.77 -0.19 -4.64 117.00 113.35 1tko n LEU 88 Ca -0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1tko n LEU 88 Cb 0.63 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1tko n LEU 88 CO 0.50 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1tko n GLY 89 N 0.28 0.82 1.16 -0.72 0.00 -1.08 -2.72 105.19 102.93 1tko n GLY 89 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.10 0.04 2.84 -0.02 0.00 -0.52 -2.25 105.19 103.18 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 -1.15 1.27 0.42 1.61 1.01 -1.25 -4.16 120.40 118.14 1tko s VAL 91 Ca 0.21 -1.42 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 1tko s VAL 91 Cb -0.01 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 1tko s VAL 91 CO 0.14 -0.44 1.32 -2.16 0.00 0.00 0.00 175.10 173.96 1tko s PRO 92 N 1.46 3.87 0.50 2.72 0.04 -1.26 -4.65 135.00 137.68 1tko s PRO 92 Ca 0.04 2.20 -0.23 0.00 0.04 0.00 0.00 61.00 63.05 1tko s PRO 92 Cb -0.18 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 1tko s PRO 92 CO -0.15 -0.59 1.36 0.72 0.04 0.00 0.00 177.00 178.38 1tko n HIS 93 N -0.00 2.35 0.05 0.56 8.25 -1.26 -4.94 115.22 120.23 1tko n HIS 93 Ca 0.04 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1tko n HIS 93 Cb 0.43 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 29.16 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 -0.70 3.00 -1.75 -1.41 0.00 -1.26 -4.97 120.51 113.42 1tko n ALA 94 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1tko n ALA 94 Cb 0.43 0.18 0.04 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 -5.23 5.21 0.29 0.00 1.04 -1.26 -4.81 113.70 108.94 1tko s SER 95 Ca 0.00 2.52 0.01 0.00 0.48 0.00 0.00 55.95 58.95 1tko s SER 95 Cb 0.00 -2.61 0.53 0.00 0.10 0.00 0.00 66.02 64.03 1tko s SER 95 CO 0.00 -1.59 1.88 -0.65 0.98 0.00 0.00 173.24 173.86 1tko h PRO 96 N 1.10 1.01 0.10 4.02 0.11 -1.99 -0.00 132.00 136.34 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 1.30 -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 -0.05 1.49 -0.21 0.00 0.00 178.00 180.45 1tko h GLU 97 N 1.04 -0.13 -0.60 1.05 4.81 -2.00 -1.87 114.58 116.87 1tko h GLU 97 Ca 0.44 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 1tko h GLU 97 Cb 0.31 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1tko h GLU 97 CO -0.19 -0.09 0.30 1.15 -0.73 0.00 0.00 179.01 179.46 1tko h THR 98 N -0.14 1.21 -0.30 0.32 2.02 -1.75 -1.61 112.91 112.66 1tko h THR 98 Ca -0.01 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1tko h THR 98 Cb 0.11 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1tko h THR 98 CO 0.02 0.23 0.14 -0.07 0.37 0.00 0.00 175.52 176.21 1tko h LEU 99 N 0.82 0.20 -0.28 2.58 3.38 -0.80 0.53 115.31 121.74 1tko h LEU 99 Ca 0.21 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1tko h LEU 99 Cb 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1tko h LEU 99 CO -0.03 0.15 -0.09 -0.61 0.09 0.00 0.00 178.44 177.95 1tko h GLN 100 N 0.30 0.55 0.03 1.13 4.15 -1.24 -1.71 115.11 118.32 1tko h GLN 100 Ca 0.13 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.35 1tko h GLN 100 Cb 0.05 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 1tko h GLN 100 CO -0.09 0.78 -0.34 0.00 -1.93 0.00 0.00 178.83 177.24 1tko h ALA 101 N 0.76 -0.53 0.00 3.38 0.00 -1.06 -1.48 119.26 120.33 1tko h ALA 101 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tko h ALA 101 Cb 0.59 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1tko h ALA 101 CO 0.03 -0.87 0.00 0.39 0.00 0.00 0.00 179.25 178.80 1tko n GLU 102 N -5.42 0.15 -2.66 0.00 -0.58 0.16 -4.75 120.64 107.53 1tko n GLU 102 Ca -0.06 0.47 -0.41 0.00 -0.42 0.00 0.00 57.16 56.75 1tko n GLU 102 Cb 0.34 -1.84 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 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 -3.34 3.30 -2.22 0.62 0.00 -0.56 -4.82 121.76 114.74 1tko s ALA 103 Ca 0.02 0.66 0.22 0.00 0.00 0.00 0.00 51.96 52.86 1tko s ALA 103 Cb 0.08 -3.29 0.54 0.00 0.00 0.00 0.00 23.12 20.45 1tko s ALA 103 CO 0.30 -0.05 1.46 -1.13 0.00 0.00 0.00 175.76 176.35 1tko n SER 104 N 2.43 3.37 -5.00 0.00 3.41 -1.26 -4.98 113.62 111.60 1tko n SER 104 Ca 0.02 -1.98 -0.18 0.00 -0.26 0.00 0.00 58.87 56.47 1tko n SER 104 Cb 0.48 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.32 3.42 -0.38 -3.33 -7.23 -1.26 -5.07 120.40 105.23 1tko s VAL 105 Ca 0.41 -0.97 -0.22 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 34.01 1tko s VAL 105 CO 0.31 -0.07 0.74 -1.81 -0.31 0.00 0.00 175.10 173.96 1tko s ASP 106 N -4.28 6.49 -0.09 4.85 1.01 -1.26 -5.05 116.67 118.34 1tko s ASP 106 Ca 0.51 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.89 1tko s ASP 106 Cb -0.10 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 1tko s ASP 106 CO 0.33 -0.73 0.22 0.54 0.21 0.00 0.00 175.17 175.74 1tko s VAL 107 N 3.02 5.37 0.46 -1.27 0.11 -1.26 -4.92 120.40 121.90 1tko s VAL 107 Ca 0.29 0.40 -0.22 0.00 -2.93 0.00 0.00 61.98 59.51 1tko s VAL 107 Cb -0.13 -3.50 -0.08 0.00 -1.53 0.00 0.00 36.38 31.14 1tko s VAL 107 CO 0.17 0.60 1.12 -1.61 -3.33 0.00 0.00 175.10 172.05 1tko s GLU 108 N -1.00 3.82 0.85 1.54 2.02 -1.26 -5.03 118.70 119.64 1tko s GLU 108 Ca 0.17 1.64 -0.11 0.00 0.02 0.00 0.00 54.97 56.69 1tko s GLU 108 Cb -0.13 -2.36 0.10 0.00 0.10 0.00 0.00 34.13 31.84 1tko s GLU 108 CO 0.07 -0.47 1.09 0.16 0.02 0.00 0.00 175.26 176.13 1tko s ASP 109 N -1.53 3.90 0.00 -0.19 3.84 -1.26 -4.83 116.67 116.60 1tko s ASP 109 Ca 0.64 1.55 0.00 0.00 -0.00 0.00 0.00 52.55 54.73 1tko s ASP 109 Cb -0.25 -2.25 0.00 0.00 -1.38 0.00 0.00 42.92 39.04 1tko s ASP 109 CO 0.30 -2.38 0.00 -0.62 -0.00 0.00 0.00 175.17 172.48 1tko n GLU 110 N -3.72 0.00 -2.97 2.11 -0.58 -1.26 -4.73 120.64 109.48 1tko n GLU 110 Ca 0.07 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.58 1tko n GLU 110 Cb 0.55 -0.99 0.01 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 -1.43 5.95 -0.25 1.62 1.01 -1.26 -5.08 116.67 117.23 1tko s ASP 111 Ca 0.00 0.42 -0.07 0.00 0.71 0.00 0.00 52.55 53.61 1tko s ASP 111 Cb 0.00 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.18 1tko s ASP 111 CO 0.00 -0.64 0.07 -0.69 0.21 0.00 0.00 175.17 174.12 1tko s VAL 112 N -2.57 4.30 0.34 -1.27 1.01 -1.26 -5.08 120.40 115.88 1tko s VAL 112 Ca 0.47 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1tko s VAL 112 Cb -0.10 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1tko s VAL 112 CO 0.39 0.33 0.34 -0.31 0.00 0.00 0.00 175.10 175.85 1tko s TYR 113 N 1.61 2.94 1.02 5.22 1.51 -1.26 -5.09 117.35 123.29 1tko s TYR 113 Ca 0.06 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.69 1tko s TYR 113 Cb -0.15 -1.87 0.11 0.00 -0.11 0.00 0.00 41.96 39.94 1tko s TYR 113 CO 0.04 0.11 0.57 -0.40 -1.11 0.00 0.00 175.55 174.76 1tko n ASP 114 N -1.45 -1.56 -0.14 2.29 5.75 -1.26 -4.70 116.55 115.49 1tko n ASP 114 Ca -0.01 0.18 -0.04 0.00 -0.01 0.00 0.00 54.79 54.91 1tko n ASP 114 Cb 0.59 -1.22 0.16 0.00 -1.03 0.00 0.00 41.12 39.63 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 -1.92 1.24 -0.62 2.12 6.09 -1.99 -2.45 117.51 119.97 1tko h ILE 115 Ca -0.48 -0.91 -0.07 0.00 -1.37 0.00 0.00 64.86 62.03 1tko h ILE 115 Cb 1.30 0.74 -0.03 0.00 0.47 0.00 0.00 36.82 39.30 1tko h ILE 115 CO 0.39 0.33 0.11 0.03 -3.07 0.00 0.00 178.15 175.95 1tko h ARG 116 N 0.81 1.00 0.36 2.19 3.08 -1.99 0.89 114.38 120.72 1tko h ARG 116 Ca 0.17 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1tko h ARG 116 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1tko h ARG 116 CO 0.01 0.91 -0.17 1.15 -1.07 0.00 0.00 179.97 180.80 1tko h THR 117 N 0.94 0.64 0.15 2.04 2.02 -1.88 -0.89 112.91 115.94 1tko h THR 117 Ca 0.19 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1tko h THR 117 Cb 0.39 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1tko h THR 117 CO 0.01 0.08 -0.49 0.28 0.37 0.00 0.00 175.52 175.76 1tko h SER 118 N -0.72 -1.47 -0.70 4.18 0.02 -1.33 0.99 113.55 114.53 1tko h SER 118 Ca -0.05 0.15 0.15 0.00 -0.84 0.00 0.00 61.79 61.20 1tko h SER 118 Cb 0.50 0.54 -0.11 0.00 0.14 0.00 0.00 62.40 63.47 1tko h SER 118 CO 0.08 -0.55 0.14 -0.07 -1.14 0.00 0.00 176.83 175.29 1tko h LEU 119 N -0.75 -0.05 -1.17 5.07 4.07 -0.86 0.16 115.31 121.79 1tko h LEU 119 Ca -0.00 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.14 1tko h LEU 119 Cb 0.75 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 42.64 1tko h LEU 119 CO -0.26 -0.05 0.57 0.00 -1.08 0.00 0.00 178.44 177.63 1tko h ALA 120 N 1.58 1.47 -0.43 1.53 0.00 -0.14 -0.37 119.26 122.90 1tko h ALA 120 Ca 0.38 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1tko h ALA 120 Cb 0.64 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1tko h ALA 120 CO -0.50 0.43 -0.09 -0.91 0.00 0.00 0.00 179.25 178.19 1tko h ASN 121 N 1.06 0.83 -0.65 0.00 2.35 0.18 -2.76 115.58 116.59 1tko h ASN 121 Ca 0.35 -0.35 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1tko h ASN 121 Cb 0.06 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1tko h ASN 121 CO -0.11 0.99 0.14 0.44 -1.65 0.00 0.00 177.43 177.24 1tko h ASP 122 N 0.66 1.01 -0.69 5.81 3.32 -0.39 -1.68 116.42 124.46 1tko h ASP 122 Ca 0.11 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.00 1tko h ASP 122 Cb 0.62 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1tko h ASP 122 CO 0.04 0.99 0.45 -0.03 -1.72 0.00 0.00 179.24 178.97 1tko h MET 123 N 1.01 0.72 -0.32 3.56 4.05 -1.00 0.89 114.93 123.84 1tko h MET 123 Ca 0.21 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.56 1tko h MET 123 Cb 0.39 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1tko h MET 123 CO 0.01 0.47 0.09 0.00 0.23 0.00 0.00 176.91 177.71 1tko h ALA 124 N 1.62 0.42 -0.64 0.39 0.00 -1.03 -1.29 119.26 118.72 1tko h ALA 124 Ca 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1tko h ALA 124 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1tko h ALA 124 CO -0.09 0.07 0.22 0.82 0.00 0.00 0.00 179.25 180.26 1tko h ILE 125 N 0.36 1.24 -0.22 0.00 2.04 -0.65 -2.78 117.51 117.50 1tko h ILE 125 Ca 0.10 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1tko h ILE 125 Cb 0.27 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1tko h ILE 125 CO -0.00 0.31 0.11 1.88 0.00 0.00 0.00 178.15 180.45 1tko h TYR 126 N 0.92 0.21 -0.73 1.37 -1.99 -0.67 -2.19 116.97 113.88 1tko h TYR 126 Ca 0.21 0.01 0.10 0.00 2.00 0.00 0.00 58.73 61.05 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 0.12 0.36 0.78 -0.00 0.00 0.00 178.16 179.44 1tko h GLY 127 N 0.24 1.11 0.98 3.88 0.00 -1.05 0.41 103.07 108.64 1tko h GLY 127 Ca 0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1tko h GLY 127 CO -0.06 0.03 0.03 -0.55 0.00 0.00 0.00 176.54 175.99 1tko h ASP 128 N 0.59 0.77 -0.40 0.19 3.32 -1.23 -1.41 116.42 118.26 1tko h ASP 128 Ca 0.37 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1tko h ASP 128 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1tko h ASP 128 CO -0.29 0.87 -0.10 0.40 -1.72 0.00 0.00 179.24 178.41 1tko h ILE 129 N 0.65 1.26 -0.51 0.35 2.04 -0.75 -1.27 117.51 119.28 1tko h ILE 129 Ca 0.13 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1tko h ILE 129 Cb 0.46 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1tko h ILE 129 CO 0.02 0.41 0.11 0.40 0.00 0.00 0.00 178.15 179.09 1tko h ILE 130 N 0.77 1.24 -0.21 -0.67 2.04 0.03 -1.17 117.51 119.54 1tko h ILE 130 Ca 0.13 -0.88 -0.20 0.00 1.00 0.00 0.00 64.86 64.91 1tko h ILE 130 Cb 0.60 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1tko h ILE 130 CO 0.04 0.32 -0.65 -0.33 0.00 0.00 0.00 178.15 177.53 1tko h GLU 131 N 0.71 0.77 -0.72 2.37 5.08 -1.15 -2.41 114.58 119.22 1tko h GLU 131 Ca 0.16 -0.55 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1tko h GLU 131 Cb 0.36 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1tko h GLU 131 CO 0.00 1.17 0.28 0.00 -1.00 0.00 0.00 179.01 179.46 1tko h ALA 132 N 0.70 1.13 -0.29 3.43 0.00 -1.18 -2.87 119.26 120.17 1tko h ALA 132 Ca -0.02 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1tko h ALA 132 Cb 1.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1tko h ALA 132 CO 0.13 0.62 -0.43 1.15 0.00 0.00 0.00 179.25 180.72 1tko h THR 133 N 1.05 1.29 -0.92 0.00 2.02 -1.18 -2.23 112.91 112.94 1tko h THR 133 Ca 0.24 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 1tko h THR 133 Cb 0.22 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1tko h THR 133 CO -0.02 0.52 0.55 0.03 0.37 0.00 0.00 175.52 176.98 1tko h ARG 134 N 0.59 1.25 -0.22 6.66 3.08 -1.22 -1.66 114.38 122.85 1tko h ARG 134 Ca 0.04 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1tko h ARG 134 Cb 0.99 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1tko h ARG 134 CO 0.09 0.87 -0.20 0.93 -1.07 0.00 0.00 179.97 180.59 1tko h GLU 135 N 1.27 0.52 -0.10 0.04 5.08 -1.42 -3.12 114.58 116.85 1tko h GLU 135 Ca 0.33 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1tko h GLU 135 Cb -0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1tko h GLU 135 CO -0.06 0.85 0.03 0.45 -1.00 0.00 0.00 179.01 179.28 1tko h HIS 136 N 0.22 0.13 -0.27 4.33 3.86 -1.07 -0.28 115.15 122.08 1tko h HIS 136 Ca 0.04 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 1tko h HIS 136 Cb 0.74 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1tko h HIS 136 CO 0.08 0.12 -0.41 1.79 0.86 0.00 0.00 177.93 180.37 1tko h THR 137 N 0.14 1.30 -0.13 2.45 1.35 -1.26 -0.80 112.91 115.96 1tko h THR 137 Ca 0.04 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.30 1tko h THR 137 Cb 0.05 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1tko h THR 137 CO -0.00 0.50 0.00 -0.33 -0.25 0.00 0.00 175.52 175.44 1tko h GLU 138 N 0.52 0.22 -0.96 4.72 5.08 -1.27 0.13 114.58 123.02 1tko h GLU 138 Ca 0.04 -0.07 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 1tko h GLU 138 Cb 0.93 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.06 1tko h GLU 138 CO 0.08 0.46 0.57 1.25 -1.00 0.00 0.00 179.01 180.37 1tko h LEU 139 N -0.03 0.76 -0.09 1.33 5.85 -0.93 0.20 115.31 122.39 1tko h LEU 139 Ca 0.04 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1tko h LEU 139 Cb 0.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1tko h LEU 139 CO 0.01 0.32 -0.33 0.00 -0.34 0.00 0.00 178.44 178.10 1tko h ALA 140 N 1.59 0.17 -0.82 1.25 0.00 -0.71 -1.21 119.26 119.52 1tko h ALA 140 Ca 0.53 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1tko h ALA 140 Cb 0.72 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1tko h ALA 140 CO -0.35 0.22 0.42 0.93 0.00 0.00 0.00 179.25 180.48 1tko h GLU 141 N -0.07 1.16 -0.46 0.00 4.39 0.01 -0.35 114.58 119.26 1tko h GLU 141 Ca -0.01 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 1tko h GLU 141 Cb 0.96 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1tko h GLU 141 CO 0.07 0.87 0.03 -0.91 -1.16 0.00 0.00 179.01 177.91 1tko h ASN 142 N 1.16 0.76 0.00 1.42 -0.26 -0.61 -1.78 115.58 116.27 1tko h ASN 142 Ca 0.29 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1tko h ASN 142 Cb 0.07 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1tko h ASN 142 CO -0.04 0.86 0.00 0.18 -1.06 0.00 0.00 177.43 177.37 1tko n LEU 143 N -4.41 0.00 0.00 1.61 4.77 -0.46 -4.81 117.00 113.70 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 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 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 0.09 0.67 3.31 -0.72 0.00 -0.67 -4.94 105.19 102.93 1tko n GLY 144 Ca 0.08 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 -0.07 5.12 0.06 1.61 4.64 -0.17 -4.81 116.55 122.93 1tko n ASP 145 Ca 0.00 -3.00 0.01 0.00 -1.38 0.00 0.00 54.79 50.43 1tko n ASP 145 Cb 0.03 -1.57 0.35 0.00 -1.04 0.00 0.00 41.12 38.89 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 6.81 0.40 0.31 -0.67 3.86 -1.88 -2.33 115.15 121.65 1tko h HIS 146 Ca 0.36 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 1tko h HIS 146 Cb 0.81 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1tko h HIS 146 CO 1.18 0.44 -0.15 0.00 0.86 0.00 0.00 177.93 180.26 1tko h ALA 147 N 1.59 -0.41 -0.74 2.45 0.00 -1.94 0.14 119.26 120.35 1tko h ALA 147 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1tko h ALA 147 Cb 0.31 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1tko h ALA 147 CO 0.01 -0.71 0.36 1.15 0.00 0.00 0.00 179.25 180.06 1tko h THR 148 N -0.45 1.23 0.46 0.00 2.02 -1.92 -0.92 112.91 113.34 1tko h THR 148 Ca -0.04 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1tko h THR 148 Cb 0.34 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1tko h THR 148 CO 0.07 0.27 -0.22 0.00 0.37 0.00 0.00 175.52 176.01 1tko h ALA 149 N 1.36 -0.62 -0.52 6.16 0.00 -1.19 -1.58 119.26 122.87 1tko h ALA 149 Ca 0.26 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1tko h ALA 149 Cb 0.09 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1tko h ALA 149 CO -0.03 -0.82 0.03 1.25 0.00 0.00 0.00 179.25 179.67 1tko h HIS 150 N -0.68 0.02 0.17 0.00 -0.00 -0.39 -1.65 115.15 112.63 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 0.51 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 1tko h HIS 150 CO -0.03 -0.09 -0.28 1.98 -0.00 0.00 0.00 177.93 179.50 1tko h MET 151 N 0.15 -0.50 -0.79 5.26 -1.53 -1.04 -1.56 114.93 114.91 1tko h MET 151 Ca 0.27 0.03 0.16 0.00 -3.44 0.00 0.00 59.70 56.72 1tko h MET 151 Cb 0.40 0.11 -0.10 0.00 -0.55 0.00 0.00 31.60 31.46 1tko h MET 151 CO -0.41 -0.34 0.32 -0.07 0.14 0.00 0.00 176.91 176.55 1tko h LEU 152 N -0.52 0.30 -0.18 3.39 3.38 -0.60 -0.66 115.31 120.41 1tko h LEU 152 Ca 0.02 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1tko h LEU 152 Cb 0.53 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1tko h LEU 152 CO -0.13 0.09 0.10 0.03 0.09 0.00 0.00 178.44 178.62 1tko h ARG 153 N 0.45 0.26 -0.82 1.13 3.08 -0.95 0.44 114.38 117.97 1tko h ARG 153 Ca 0.44 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.58 1tko h ARG 153 Cb 0.71 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.62 1tko h ARG 153 CO -0.43 0.26 0.43 0.93 -1.07 0.00 0.00 179.97 180.10 1tko h GLU 154 N 0.19 0.66 0.03 0.04 4.39 -0.18 0.31 114.58 120.02 1tko h GLU 154 Ca 0.06 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.49 1tko h GLU 154 Cb 0.08 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1tko h GLU 154 CO -0.01 0.44 -1.01 0.78 -1.16 0.00 0.00 179.01 178.04 1tko h GLY 155 N 0.68 0.46 0.74 -3.84 0.00 -0.86 -3.25 103.07 96.99 1tko h GLY 155 Ca 0.42 -0.86 0.05 0.00 0.00 0.00 0.00 47.33 46.94 1tko h GLY 155 CO -0.30 0.76 0.32 -2.00 0.00 0.00 0.00 176.54 175.31 1tko h LEU 156 N 0.21 0.48 -0.90 3.11 5.85 0.11 -1.04 115.31 123.13 1tko h LEU 156 Ca -0.10 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1tko h LEU 156 Cb 1.67 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.55 1tko h LEU 156 CO 0.18 0.33 0.54 -0.29 -0.34 0.00 0.00 178.44 178.85 1tko h ILE 157 N 0.62 0.92 -0.08 4.05 -0.00 -1.03 -0.55 117.51 121.44 1tko h ILE 157 Ca 0.25 -0.30 -0.03 0.00 -0.00 0.00 0.00 64.86 64.78 1tko h ILE 157 Cb 0.13 -0.04 -0.00 0.00 -0.00 0.00 0.00 36.82 36.91 1tko h ILE 157 CO -0.15 0.16 -0.06 -0.33 -0.00 0.00 0.00 178.15 177.77 1tko h GLU 158 N 0.88 0.18 -0.81 2.19 4.39 -1.36 -2.87 114.58 117.18 1tko h GLU 158 Ca 0.43 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 60.11 1tko h GLU 158 Cb 0.40 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 1tko h GLU 158 CO -0.25 0.59 0.49 -0.07 -1.16 0.00 0.00 179.01 178.60 1tko h LEU 159 N -0.22 0.74 -1.13 1.33 4.07 -0.77 -1.97 115.31 117.36 1tko h LEU 159 Ca 0.02 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 1tko h LEU 159 Cb 0.54 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1tko h LEU 159 CO 0.02 0.47 -0.06 -0.33 -1.08 0.00 0.00 178.44 177.45 1tko h GLU 160 N 0.87 0.54 -0.27 1.13 5.08 -1.12 -1.77 114.58 119.04 1tko h GLU 160 Ca 0.36 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1tko h GLU 160 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1tko h GLU 160 CO -0.19 0.61 -0.40 0.22 -1.00 0.00 0.00 179.01 178.25 1tko h ASP 161 N 0.51 0.69 0.40 1.42 -0.00 -1.14 -1.28 116.42 117.02 1tko h ASP 161 Ca 0.10 -0.31 -0.14 0.00 -0.00 0.00 0.00 57.03 56.68 1tko h ASP 161 Cb 0.42 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.55 1tko h ASP 161 CO 0.02 1.01 -0.59 0.44 -0.00 0.00 0.00 179.24 180.12 1tko h ASP 162 N 0.53 0.21 -0.19 2.28 3.32 -1.15 -1.93 116.42 119.50 1tko h ASP 162 Ca 0.04 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1tko h ASP 162 Cb 0.93 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1tko h ASP 162 CO 0.08 0.75 -0.35 0.00 -1.72 0.00 0.00 179.24 178.01 1tko h ALA 163 N 1.25 0.29 -0.10 3.45 0.00 -1.20 -2.63 119.26 120.33 1tko h ALA 163 Ca -0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1tko h ALA 163 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1tko h ALA 163 CO 0.09 0.36 -0.07 1.25 0.00 0.00 0.00 179.25 180.87 1tko h HIS 164 N 0.23 0.15 -0.24 0.00 -0.00 -1.17 -1.47 115.15 112.66 1tko h HIS 164 Ca 0.01 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 1tko h HIS 164 Cb 0.94 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 1tko h HIS 164 CO 0.09 0.22 -0.17 0.45 -0.00 0.00 0.00 177.93 178.53 1tko h HIS 165 N 0.15 0.63 -0.66 5.26 -0.00 -1.22 -2.15 115.15 117.16 1tko h HIS 165 Ca 0.03 -0.17 0.01 0.00 -0.00 0.00 0.00 60.37 60.24 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 0.84 0.44 0.82 -0.00 0.00 0.00 177.93 180.03 1tko h ILE 166 N 0.25 1.17 -0.28 2.45 2.04 -1.03 -1.01 117.51 121.09 1tko h ILE 166 Ca 0.05 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1tko h ILE 166 Cb 0.70 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1tko h ILE 166 CO 0.05 0.16 -0.06 -0.08 0.00 0.00 0.00 178.15 178.22 1tko h GLU 167 N 0.90 0.45 0.00 2.37 4.81 -1.01 -2.42 114.58 119.67 1tko h GLU 167 Ca 0.24 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1tko h GLU 167 Cb -0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1tko h GLU 167 CO -0.05 0.52 -0.62 0.45 -0.73 0.00 0.00 179.01 178.58 1tko h HIS 168 N 0.43 0.00 -0.16 0.92 3.86 -0.56 -2.68 115.15 116.96 1tko h HIS 168 Ca 0.09 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 1tko h HIS 168 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1tko h HIS 168 CO 0.01 0.62 -0.46 1.88 0.86 0.00 0.00 177.93 180.84 1tko h TYR 169 N 0.00 0.48 0.00 2.45 0.05 -0.86 -3.11 116.97 115.98 1tko h TYR 169 Ca -0.01 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1tko h TYR 169 Cb 1.34 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.98 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 0.32 0.00 -9.82 3.88 3.38 -1.36 -3.47 115.31 108.24 1tko h LEU 170 Ca 0.02 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.40 1tko h LEU 170 Cb 0.94 0.00 0.21 0.00 0.09 0.00 0.00 40.66 41.90 1tko h LEU 170 CO 0.08 0.03 -0.48 -0.62 0.09 0.00 0.00 178.44 177.54 1tko n GLU 171 N -2.33 -0.24 -2.60 1.13 -0.58 -1.02 -4.88 120.64 110.13 1tko n GLU 171 Ca 0.05 -0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.33 1tko n GLU 171 Cb 0.45 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 -1.47 5.33 -3.73 1.62 5.75 -1.26 -4.93 116.55 117.85 1tko n ASP 172 Ca 0.08 -3.12 -0.10 0.00 -0.01 0.00 0.00 54.79 51.63 1tko n ASP 172 Cb 0.53 -1.46 -0.04 0.00 -1.03 0.00 0.00 41.12 39.11 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 0.90 -0.23 -0.15 -1.12 -1.08 -1.26 -5.18 116.67 108.55 1tko s ASP 173 Ca 0.39 -0.47 -0.34 0.00 -0.52 0.00 0.00 52.55 51.60 1tko s ASP 173 Cb 0.06 0.54 0.14 0.00 -1.46 0.00 0.00 42.92 42.20 1tko s ASP 173 CO 0.02 -0.99 1.32 0.28 0.52 0.00 0.00 175.17 176.32 1tko s THR 174 N -3.86 0.00 -0.20 1.71 -1.32 -1.26 -5.00 115.64 105.71 1tko s THR 174 Ca 0.08 -0.07 0.21 0.00 -1.21 0.00 0.00 61.69 60.71 1tko s THR 174 Cb 0.00 -1.47 -0.06 0.00 -1.51 0.00 0.00 72.50 69.46 1tko s THR 174 CO -0.05 0.00 0.95 0.18 -2.21 0.00 0.00 174.62 173.49 1tko n LEU 175 N -0.26 0.78 -4.75 9.08 4.77 -1.26 -4.91 117.00 120.46 1tko n LEU 175 Ca -0.03 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 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 1.27 -0.69 -1.33 0.00 0.00 177.39 176.64 1tko s VAL 176 N -3.27 2.03 0.14 4.08 1.01 -1.26 -5.01 120.40 118.11 1tko s VAL 176 Ca -0.02 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.09 1tko s VAL 176 Cb 0.10 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1tko s VAL 176 CO 0.80 0.00 -0.26 0.42 0.00 0.00 0.00 175.10 176.07 1tko s THR 177 N 0.10 2.21 0.40 3.92 -4.23 -1.26 -5.01 115.64 111.77 1tko s THR 177 Ca 0.65 -1.79 0.15 0.00 -1.18 0.00 0.00 61.69 59.52 1tko s THR 177 Cb -0.48 -1.97 0.36 0.00 1.34 0.00 0.00 72.50 71.75 1tko s THR 177 CO 0.47 0.03 1.86 -0.61 -0.54 0.00 0.00 174.62 175.83 1tko h GLN 178 N 3.78 0.47 0.31 3.99 5.75 -2.01 -1.76 115.11 125.63 1tko h GLN 178 Ca -0.50 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.97 1tko h GLN 178 Cb 1.18 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1tko h GLN 178 CO 0.41 0.31 -0.27 0.78 -2.65 0.00 0.00 178.83 177.41 1tko h GLY 179 N 0.48 -0.96 0.08 2.39 0.00 -2.01 -2.43 103.07 100.62 1tko h GLY 179 Ca 0.45 0.43 0.25 0.00 0.00 0.00 0.00 47.33 48.46 1tko h GLY 179 CO -0.18 -0.31 0.72 0.00 0.00 0.00 0.00 176.54 176.76 1tko h ALA 180 N -1.36 2.72 0.00 3.60 0.00 -1.75 -3.55 119.26 118.91 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 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1tko h ALA 180 CO -0.01 -1.16 0.00 1.28 0.00 0.00 0.00 179.25 179.36