#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttf s SER 2 N 0.00 7.04 0.00 -1.34 0.15 -1.26 -4.81 113.70 113.48 1ttf s SER 2 Ca 0.00 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1ttf s SER 2 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1ttf s SER 2 CO 0.00 -0.56 0.41 0.47 1.20 0.00 0.00 173.24 174.76 1ttf n ASP 3 N 4.78 -0.35 0.01 5.45 8.00 -1.26 -5.01 116.55 128.17 1ttf n ASP 3 Ca 0.10 -0.82 -0.22 0.00 0.71 0.00 0.00 54.79 54.57 1ttf n ASP 3 Cb 0.46 0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.53 1ttf n ASP 3 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ttf h VAL 4 N 2.36 1.00 -3.59 2.53 2.07 -1.97 -3.45 116.25 115.20 1ttf h VAL 4 Ca -0.20 -2.40 -0.64 0.00 0.82 0.00 0.00 66.70 64.28 1ttf h VAL 4 Cb 0.81 2.69 -0.14 0.00 -1.52 0.00 0.00 31.29 33.13 1ttf h VAL 4 CO -0.10 0.71 0.16 -2.16 0.02 0.00 0.00 177.57 176.20 1ttf s PRO 5 N -2.48 3.46 -0.12 1.57 0.04 -1.26 -4.73 135.00 131.47 1ttf s PRO 5 Ca -0.20 -0.16 -0.32 0.00 0.04 0.00 0.00 61.00 60.36 1ttf s PRO 5 Cb 0.05 -3.89 0.13 0.00 0.04 0.00 0.00 34.50 30.82 1ttf s PRO 5 CO 0.77 -0.91 1.07 -0.98 0.04 0.00 0.00 177.00 176.98 1ttf s ARG 6 N 2.83 0.52 -1.01 4.56 1.70 -1.26 -4.98 118.95 121.32 1ttf s ARG 6 Ca 0.24 -0.13 -0.02 0.00 -0.47 0.00 0.00 55.73 55.35 1ttf s ARG 6 Cb -0.14 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1ttf s ARG 6 CO 0.18 -0.22 0.29 -3.47 -1.08 0.00 0.00 175.30 171.00 1ttf n ASP 7 N 0.02 -4.32 -4.51 -2.89 2.03 -1.26 -2.76 116.55 102.87 1ttf n ASP 7 Ca -0.05 -0.14 -0.43 0.00 0.52 0.00 0.00 54.79 54.70 1ttf n ASP 7 Cb 0.59 -3.27 -0.05 0.00 -0.72 0.00 0.00 41.12 37.68 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ttf s LEU 8 N -4.19 4.28 0.21 -2.67 1.02 -1.26 -4.01 118.68 112.06 1ttf s LEU 8 Ca 0.14 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.74 1ttf s LEU 8 Cb -0.06 -2.76 -0.01 0.00 0.02 0.00 0.00 46.19 43.38 1ttf s LEU 8 CO 0.18 -1.15 0.34 -1.61 0.02 0.00 0.00 176.35 174.13 1ttf s GLU 9 N 3.66 1.35 -0.17 1.70 8.01 -1.03 -5.03 118.70 127.18 1ttf s GLU 9 Ca 0.27 -1.31 -0.09 0.00 0.01 0.00 0.00 54.97 53.86 1ttf s GLU 9 Cb -0.14 0.40 -0.05 0.00 -4.31 0.00 0.00 34.13 30.03 1ttf s GLU 9 CO 0.18 -0.52 0.13 0.08 0.01 0.00 0.00 175.26 175.14 1ttf s VAL 10 N -4.03 5.37 -0.05 2.63 1.01 -1.26 -2.69 120.40 121.38 1ttf s VAL 10 Ca 0.24 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1ttf s VAL 10 Cb 0.02 -3.41 -0.26 0.00 0.00 0.00 0.00 36.38 32.73 1ttf s VAL 10 CO 0.07 0.50 0.63 -0.37 0.00 0.00 0.00 175.10 175.92 1ttf h VAL 11 N 4.48 0.87 0.00 2.92 -1.51 -1.91 -3.50 116.25 117.61 1ttf h VAL 11 Ca -0.45 -2.61 0.00 0.00 -1.23 0.00 0.00 66.70 62.42 1ttf h VAL 11 Cb 1.17 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 1ttf h VAL 11 CO 0.70 0.75 0.00 0.00 -1.23 0.00 0.00 177.57 177.79 1ttf n ALA 12 N -2.75 0.00 -2.55 5.19 0.00 -1.26 -5.08 120.51 114.05 1ttf n ALA 12 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.96 1ttf n ALA 12 Cb 1.05 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.39 1ttf n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ttf s ALA 13 N -2.00 2.90 0.13 0.00 0.00 -1.26 -2.75 121.76 118.79 1ttf s ALA 13 Ca 0.00 -2.16 -0.13 0.00 0.00 0.00 0.00 51.96 49.67 1ttf s ALA 13 Cb 0.00 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1ttf s ALA 13 CO 0.00 -0.07 0.35 0.95 0.00 0.00 0.00 175.76 176.99 1ttf s THR 14 N -2.78 0.08 -0.69 0.00 -4.23 0.11 -4.99 115.64 103.14 1ttf s THR 14 Ca 0.34 -0.89 -0.34 0.00 -1.18 0.00 0.00 61.69 59.62 1ttf s THR 14 Cb 0.07 -1.39 -0.17 0.00 1.34 0.00 0.00 72.50 72.35 1ttf s THR 14 CO 0.16 -0.36 2.45 -2.65 -0.54 0.00 0.00 174.62 173.68 1ttf n PRO 15 N -0.20 0.38 -3.48 3.99 -0.02 -1.26 -0.34 135.00 134.07 1ttf n PRO 15 Ca -0.13 0.05 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 1ttf n PRO 15 Cb 0.63 -2.01 0.08 0.00 -0.02 0.00 0.00 33.50 32.18 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ttf n THR 16 N 7.33 -5.58 -3.64 3.45 -2.24 -1.26 -5.00 114.28 107.34 1ttf n THR 16 Ca 0.54 -0.46 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1ttf n THR 16 Cb 0.14 -4.77 -0.07 0.00 -2.10 0.00 0.00 70.33 63.53 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ttf s SER 17 N -4.28 -0.33 0.06 3.42 1.04 0.54 -4.13 113.70 110.02 1ttf s SER 17 Ca 0.05 0.59 0.05 0.00 0.48 0.00 0.00 55.95 57.12 1ttf s SER 17 Cb -0.02 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1ttf s SER 17 CO 0.74 -0.10 -0.14 -0.22 0.98 0.00 0.00 173.24 174.50 1ttf s LEU 18 N 0.46 2.23 -0.23 2.42 2.96 0.54 0.08 118.68 127.14 1ttf s LEU 18 Ca 0.01 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1ttf s LEU 18 Cb -0.05 -0.56 0.04 0.00 0.50 0.00 0.00 46.19 46.13 1ttf s LEU 18 CO -0.11 -0.02 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.00 1ttf s LEU 19 N -1.46 2.95 0.06 -0.68 1.02 -1.11 -1.34 118.68 118.12 1ttf s LEU 19 Ca -0.00 -1.08 0.04 0.00 0.02 0.00 0.00 54.13 53.12 1ttf s LEU 19 Cb -0.09 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 1ttf s LEU 19 CO 0.02 -0.12 -0.04 0.27 0.02 0.00 0.00 176.35 176.50 1ttf s ILE 20 N 1.19 3.81 -0.05 -0.59 -5.25 -0.97 -2.77 121.20 116.58 1ttf s ILE 20 Ca -0.03 -0.93 -0.04 0.00 -0.99 0.00 0.00 60.65 58.66 1ttf s ILE 20 Cb -0.17 -2.75 0.02 0.00 2.95 0.00 0.00 42.46 42.51 1ttf s ILE 20 CO -0.08 0.23 0.13 -0.94 -1.79 0.00 0.00 174.94 172.49 1ttf s SER 21 N -1.94 -0.13 0.00 4.36 1.04 -1.09 -1.92 113.70 114.01 1ttf s SER 21 Ca 0.22 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1ttf s SER 21 Cb -0.11 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1ttf s SER 21 CO 0.13 -0.07 0.00 -2.67 0.98 0.00 0.00 173.24 171.61 1ttf n TRP 22 N 3.30 0.00 -4.28 5.02 2.14 -1.10 -2.48 117.44 120.05 1ttf n TRP 22 Ca -0.16 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.26 1ttf n TRP 22 Cb 0.57 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.97 1ttf n TRP 22 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1ttf s ASP 23 N 1.00 1.04 -0.35 -0.67 2.15 -1.11 -4.84 116.67 113.89 1ttf s ASP 23 Ca 0.00 -1.34 0.03 0.00 0.43 0.00 0.00 52.55 51.67 1ttf s ASP 23 Cb 0.00 0.18 0.16 0.00 -0.30 0.00 0.00 42.92 42.96 1ttf s ASP 23 CO 0.00 -0.71 0.39 0.00 -0.17 0.00 0.00 175.17 174.68 1ttf s ALA 24 N -3.79 -0.75 1.18 3.66 0.00 -1.26 -4.89 121.76 115.90 1ttf s ALA 24 Ca 0.35 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 1ttf s ALA 24 Cb 0.07 -2.08 0.25 0.00 0.00 0.00 0.00 23.12 21.36 1ttf s ALA 24 CO 0.11 -2.00 0.54 -2.30 0.00 0.00 0.00 175.76 172.11 1ttf n PRO 25 N 4.65 -3.16 0.14 0.00 -0.02 -1.26 -4.90 135.00 130.45 1ttf n PRO 25 Ca 0.07 -0.94 0.12 0.00 -2.02 0.00 0.00 63.50 60.74 1ttf n PRO 25 Cb 0.47 -1.66 0.22 0.00 -0.02 0.00 0.00 33.50 32.52 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ttf h ALA 26 N -3.01 0.87 -2.50 3.55 0.00 -2.01 -3.46 119.26 112.70 1ttf h ALA 26 Ca -0.32 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.05 1ttf h ALA 26 Cb 0.99 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.83 1ttf h ALA 26 CO 0.20 0.00 1.02 1.33 0.00 0.00 0.00 179.25 181.80 1ttf n VAL 27 N -2.63 0.17 -1.53 0.00 0.24 -1.26 -4.73 118.33 108.59 1ttf n VAL 27 Ca 0.04 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 1ttf n VAL 27 Cb 0.49 -1.96 -0.11 0.00 -1.47 0.00 0.00 33.84 30.79 1ttf n VAL 27 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ttf n THR 28 N 4.22 0.00 -2.40 3.34 -2.24 -1.26 -4.85 114.28 111.09 1ttf n THR 28 Ca 0.17 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1ttf n THR 28 Cb 0.35 -1.44 -0.03 0.00 -2.10 0.00 0.00 70.33 67.10 1ttf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ttf s VAL 29 N 11.03 3.91 0.01 2.28 1.01 -1.26 -4.40 120.40 132.97 1ttf s VAL 29 Ca 0.98 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 64.33 1ttf s VAL 29 Cb -0.29 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1ttf s VAL 29 CO 0.21 0.13 1.07 0.03 0.00 0.00 0.00 175.10 176.54 1ttf h ARG 30 N 6.48 -0.12 -2.82 2.72 2.47 -1.74 -3.45 114.38 117.92 1ttf h ARG 30 Ca -0.42 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.36 1ttf h ARG 30 Cb 1.21 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 29.46 1ttf h ARG 30 CO 0.80 -0.08 0.29 1.52 0.56 0.00 0.00 179.97 183.06 1ttf s TYR 31 N -3.35 -0.35 0.25 3.04 -0.85 -1.06 -4.64 117.35 110.38 1ttf s TYR 31 Ca -0.02 0.07 0.10 0.00 -0.52 0.00 0.00 57.07 56.69 1ttf s TYR 31 Cb 0.01 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 1ttf s TYR 31 CO 0.07 -0.93 -0.04 0.71 -1.52 0.00 0.00 175.55 173.85 1ttf s TYR 32 N -3.66 2.66 -0.23 -3.49 1.51 0.08 -2.40 117.35 111.82 1ttf s TYR 32 Ca 0.06 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1ttf s TYR 32 Cb -0.03 -1.20 0.08 0.00 -0.11 0.00 0.00 41.96 40.70 1ttf s TYR 32 CO -0.04 0.61 0.10 0.50 -1.11 0.00 0.00 175.55 175.61 1ttf s ARG 33 N -3.48 0.18 -0.27 -0.62 3.52 -0.82 -1.88 118.95 115.58 1ttf s ARG 33 Ca 0.30 -0.33 -0.14 0.00 -0.13 0.00 0.00 55.73 55.43 1ttf s ARG 33 Cb -0.07 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.70 1ttf s ARG 33 CO 0.19 -0.83 0.33 0.42 -0.81 0.00 0.00 175.30 174.60 1ttf s ILE 34 N 2.08 5.21 -0.03 4.11 1.09 -0.92 -1.79 121.20 130.96 1ttf s ILE 34 Ca 0.05 0.47 0.05 0.00 -1.10 0.00 0.00 60.65 60.12 1ttf s ILE 34 Cb -0.16 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.58 1ttf s ILE 34 CO -0.21 0.19 -0.17 0.42 -0.10 0.00 0.00 174.94 175.07 1ttf s THR 35 N 1.95 1.37 0.04 2.92 -4.23 -1.02 -1.44 115.64 115.23 1ttf s THR 35 Ca 0.13 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1ttf s THR 35 Cb -0.16 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 1ttf s THR 35 CO 0.10 0.39 0.04 -0.72 -0.54 0.00 0.00 174.62 173.89 1ttf s TYR 36 N -0.13 0.31 -0.28 3.99 1.13 -0.93 -1.94 117.35 119.50 1ttf s TYR 36 Ca 0.00 -0.69 -0.23 0.00 -1.41 0.00 0.00 57.07 54.75 1ttf s TYR 36 Cb -0.09 -0.22 0.10 0.00 -1.10 0.00 0.00 41.96 40.64 1ttf s TYR 36 CO 0.01 -0.35 0.85 0.20 -2.51 0.00 0.00 175.55 173.75 1ttf s GLY 37 N -2.31 -0.37 0.11 5.49 0.00 -1.07 -2.98 107.32 106.20 1ttf s GLY 37 Ca -0.02 2.43 -0.30 0.00 0.00 0.00 0.00 44.72 46.82 1ttf s GLY 37 CO -0.06 1.97 1.09 1.85 0.00 0.00 0.00 173.10 177.95 1ttf s GLU 38 N 0.62 4.55 -0.11 2.90 2.12 -1.26 -2.53 118.70 124.99 1ttf s GLU 38 Ca -0.01 1.66 -0.37 0.00 0.36 0.00 0.00 54.97 56.60 1ttf s GLU 38 Cb -0.05 -3.34 -0.15 0.00 0.26 0.00 0.00 34.13 30.86 1ttf s GLU 38 CO -0.06 -0.03 1.68 2.41 -0.54 0.00 0.00 175.26 178.71 1ttf n THR 39 N 3.14 0.28 0.00 -1.70 -1.04 -1.21 -4.33 114.28 109.42 1ttf n THR 39 Ca 0.05 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ttf n THR 39 Cb 0.47 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 1ttf n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 40 N 3.82 -1.03 0.74 3.41 0.00 -1.26 -4.98 105.19 105.90 1ttf n GLY 40 Ca 0.23 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1ttf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ttf n GLY 41 N 0.00 0.64 0.21 -0.02 0.00 -1.26 -4.93 105.19 99.83 1ttf n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ttf n GLY 41 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ttf h ASN 42 N 0.00 0.59 0.00 1.61 2.35 -1.94 -3.47 115.58 114.72 1ttf h ASN 42 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1ttf h ASN 42 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1ttf h ASN 42 CO 0.00 1.01 0.00 -0.24 -1.65 0.00 0.00 177.43 176.55 1ttf n SER 43 N -3.96 0.00 -4.75 5.81 2.88 -1.26 -5.15 113.62 107.18 1ttf n SER 43 Ca -0.03 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.13 1ttf n SER 43 Cb 0.59 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 1ttf n SER 43 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ttf s PRO 44 N -0.63 3.30 0.00 -1.46 0.04 -1.26 -4.86 135.00 130.13 1ttf s PRO 44 Ca 0.00 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1ttf s PRO 44 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1ttf s PRO 44 CO 0.00 -1.06 0.19 0.28 0.04 0.00 0.00 177.00 176.46 1ttf n VAL 45 N -0.84 0.00 -3.77 -0.36 0.31 -1.24 -5.05 118.33 107.38 1ttf n VAL 45 Ca 0.09 0.43 -0.03 0.00 -0.01 0.00 0.00 64.34 64.83 1ttf n VAL 45 Cb 0.45 -0.91 -0.01 0.00 -0.91 0.00 0.00 33.84 32.46 1ttf n VAL 45 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ttf s GLN 46 N -0.63 1.17 0.10 5.55 0.74 -1.16 -5.07 119.66 120.36 1ttf s GLN 46 Ca 0.00 -0.67 -0.13 0.00 0.05 0.00 0.00 55.36 54.61 1ttf s GLN 46 Cb 0.00 0.38 0.02 0.00 1.10 0.00 0.00 33.01 34.51 1ttf s GLN 46 CO 0.00 -0.54 0.31 -2.00 -0.55 0.00 0.00 175.29 172.51 1ttf s GLU 47 N -2.98 0.96 -0.27 1.67 2.12 -1.26 -2.18 118.70 116.75 1ttf s GLU 47 Ca 0.14 -0.79 -0.22 0.00 0.36 0.00 0.00 54.97 54.47 1ttf s GLU 47 Cb -0.01 0.41 0.07 0.00 0.26 0.00 0.00 34.13 34.86 1ttf s GLU 47 CO 0.03 -0.35 0.72 -0.59 -0.54 0.00 0.00 175.26 174.53 1ttf s PHE 48 N -3.72 -0.87 0.37 5.30 -0.71 -0.52 -5.01 117.98 112.83 1ttf s PHE 48 Ca 0.03 1.98 -0.01 0.00 -1.04 0.00 0.00 56.93 57.89 1ttf s PHE 48 Cb 0.03 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 1ttf s PHE 48 CO -0.11 -0.43 0.60 0.95 -1.34 0.00 0.00 175.22 174.90 1ttf s THR 49 N 0.80 5.06 -0.12 -4.49 -4.23 -1.26 -2.17 115.64 109.23 1ttf s THR 49 Ca -0.03 -0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 1ttf s THR 49 Cb -0.05 -3.86 0.04 0.00 1.34 0.00 0.00 72.50 69.97 1ttf s THR 49 CO -0.06 -0.61 0.42 -0.69 -0.54 0.00 0.00 174.62 173.14 1ttf s VAL 50 N -2.40 0.01 -0.01 2.29 1.01 -0.79 -4.98 120.40 115.53 1ttf s VAL 50 Ca 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1ttf s VAL 50 Cb -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1ttf s VAL 50 CO 0.38 -0.06 0.23 -0.81 0.00 0.00 0.00 175.10 174.84 1ttf n PRO 51 N 2.35 0.24 -1.11 2.72 -0.04 -1.26 -0.74 135.00 137.16 1ttf n PRO 51 Ca -0.16 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.24 1ttf n PRO 51 Cb 0.57 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ttf n GLY 52 N 0.88 0.62 0.07 0.55 0.00 -1.26 -4.77 105.19 101.28 1ttf n GLY 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ttf n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ttf h SER 53 N 0.00 0.09 -3.59 1.61 0.02 -1.96 -3.43 113.55 106.28 1ttf h SER 53 Ca -0.13 -0.10 -0.62 0.00 -0.84 0.00 0.00 61.79 60.10 1ttf h SER 53 Cb 0.99 -0.03 -0.13 0.00 0.14 0.00 0.00 62.40 63.37 1ttf h SER 53 CO 0.20 1.08 -0.02 -0.54 -1.14 0.00 0.00 176.83 176.40 1ttf s LYS 54 N -2.69 4.01 0.32 3.45 1.02 -1.26 -4.92 119.74 119.67 1ttf s LYS 54 Ca -0.00 0.25 0.20 0.00 0.02 0.00 0.00 55.97 56.44 1ttf s LYS 54 Cb 0.09 -3.67 0.16 0.00 -0.52 0.00 0.00 37.83 33.89 1ttf s LYS 54 CO 0.83 -0.39 1.39 0.77 -0.92 0.00 0.00 175.35 177.03 1ttf h SER 55 N 8.09 0.00 -4.91 2.83 0.02 -1.95 -3.47 113.55 114.15 1ttf h SER 55 Ca -0.29 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.05 1ttf h SER 55 Cb 1.14 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.57 1ttf h SER 55 CO 0.72 0.17 -0.44 0.35 -1.14 0.00 0.00 176.83 176.50 1ttf n THR 56 N -3.03 0.00 -3.61 -2.27 -2.24 -1.26 -2.70 114.28 99.17 1ttf n THR 56 Ca 0.02 -2.21 -0.10 0.00 -2.27 0.00 0.00 64.05 59.48 1ttf n THR 56 Cb 0.61 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1ttf n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ttf s ALA 57 N -2.81 -1.94 -0.31 6.98 0.00 -0.81 -5.00 121.76 117.88 1ttf s ALA 57 Ca 0.01 1.76 -0.05 0.00 0.00 0.00 0.00 51.96 53.69 1ttf s ALA 57 Cb -0.00 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1ttf s ALA 57 CO 0.01 -0.27 0.06 0.99 0.00 0.00 0.00 175.76 176.55 1ttf s THR 58 N -0.26 3.58 -0.07 0.00 2.01 -1.26 -2.28 115.64 117.36 1ttf s THR 58 Ca 0.01 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 1ttf s THR 58 Cb -0.03 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1ttf s THR 58 CO -0.03 -0.03 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.34 1ttf s ILE 59 N 1.40 4.14 0.14 1.82 2.07 -0.45 -4.96 121.20 125.35 1ttf s ILE 59 Ca -0.01 -0.36 -0.07 0.00 -1.41 0.00 0.00 60.65 58.80 1ttf s ILE 59 Cb -0.18 -2.75 -0.01 0.00 0.13 0.00 0.00 42.46 39.64 1ttf s ILE 59 CO 0.01 0.57 0.20 -0.44 -1.91 0.00 0.00 174.94 173.37 1ttf s SER 60 N -0.98 0.13 0.00 4.50 0.01 -1.26 -0.34 113.70 115.77 1ttf s SER 60 Ca 0.14 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1ttf s SER 60 Cb -0.11 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1ttf s SER 60 CO 0.03 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1ttf n GLY 61 N -0.14 1.11 2.91 3.44 0.00 -1.26 -5.03 105.19 106.22 1ttf n GLY 61 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1ttf n GLY 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ttf n LEU 62 N 0.00 0.00 -4.12 0.99 -0.00 -1.26 -5.09 117.00 107.52 1ttf n LEU 62 Ca 0.00 -1.56 -0.33 0.00 -0.00 0.00 0.00 56.01 54.11 1ttf n LEU 62 Cb 0.00 -0.50 -0.14 0.00 -0.00 0.00 0.00 43.42 42.78 1ttf n LEU 62 CO 0.00 -0.88 -0.41 -0.75 -0.00 0.00 0.00 177.39 175.35 1ttf s LYS 63 N -4.45 2.35 0.33 1.47 2.36 -1.26 -4.96 119.74 115.57 1ttf s LYS 63 Ca 0.50 -1.29 -0.29 0.00 -2.55 0.00 0.00 55.97 52.33 1ttf s LYS 63 Cb -0.03 -3.01 -0.12 0.00 -1.05 0.00 0.00 37.83 33.62 1ttf s LYS 63 CO 0.33 -0.58 1.50 -2.30 1.55 0.00 0.00 175.35 175.85 1ttf n PRO 64 N 4.52 2.55 -1.12 4.03 -0.02 -1.26 -3.86 135.00 139.84 1ttf n PRO 64 Ca -0.14 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1ttf n PRO 64 Cb 0.43 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttf n GLY 65 N 1.35 0.89 3.55 -1.23 0.00 -1.21 -5.10 105.19 103.43 1ttf n GLY 65 Ca 0.06 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 1ttf n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttf s VAL 66 N -2.75 0.00 0.33 1.61 0.11 -1.03 -5.07 120.40 113.60 1ttf s VAL 66 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1ttf s VAL 66 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1ttf s VAL 66 CO 0.00 0.00 1.07 -0.62 -3.33 0.00 0.00 175.10 172.22 1ttf s ASP 67 N -1.99 7.08 -0.03 3.54 -1.08 -1.26 -2.58 116.67 120.35 1ttf s ASP 67 Ca 0.04 2.16 0.00 0.00 -0.52 0.00 0.00 52.55 54.23 1ttf s ASP 67 Cb -0.01 -2.61 0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1ttf s ASP 67 CO -0.05 -0.27 0.00 -0.31 0.52 0.00 0.00 175.17 175.06 1ttf s TYR 68 N -1.36 0.30 -0.22 -5.34 2.02 -0.79 -3.31 117.35 108.64 1ttf s TYR 68 Ca 0.50 0.00 -0.09 0.00 -0.37 0.00 0.00 57.07 57.11 1ttf s TYR 68 Cb -0.28 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 1ttf s TYR 68 CO 0.35 -0.12 0.11 0.95 -1.57 0.00 0.00 175.55 175.27 1ttf s THR 69 N 0.98 4.94 0.09 -0.71 -4.23 -1.05 -2.10 115.64 113.57 1ttf s THR 69 Ca -0.10 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 1ttf s THR 69 Cb -0.13 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 1ttf s THR 69 CO -0.02 0.39 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.77 1ttf s ILE 70 N 0.90 2.88 -0.11 2.99 2.07 -1.09 -2.59 121.20 126.25 1ttf s ILE 70 Ca 0.05 -1.38 -0.04 0.00 -1.41 0.00 0.00 60.65 57.87 1ttf s ILE 70 Cb -0.13 -2.29 0.06 0.00 0.13 0.00 0.00 42.46 40.22 1ttf s ILE 70 CO 0.03 0.18 0.22 -0.89 -1.91 0.00 0.00 174.94 172.56 1ttf s THR 71 N -1.08 -0.31 -0.22 4.00 2.01 -0.82 -2.12 115.64 117.10 1ttf s THR 71 Ca 0.17 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 1ttf s THR 71 Cb -0.11 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1ttf s THR 71 CO 0.09 0.12 0.01 0.68 -0.69 0.00 0.00 174.62 174.83 1ttf s VAL 72 N 2.20 3.96 -0.46 3.82 -7.23 -0.88 -2.43 120.40 119.38 1ttf s VAL 72 Ca 0.00 -0.30 -0.10 0.00 -1.81 0.00 0.00 61.98 59.77 1ttf s VAL 72 Cb -0.12 -2.81 0.10 0.00 0.56 0.00 0.00 36.38 34.11 1ttf s VAL 72 CO -0.07 0.40 0.34 -0.31 -0.31 0.00 0.00 175.10 175.14 1ttf s TYR 73 N 1.31 3.36 -0.37 2.82 1.51 -0.74 -2.79 117.35 122.45 1ttf s TYR 73 Ca 0.04 -1.63 -0.17 0.00 -1.01 0.00 0.00 57.07 54.30 1ttf s TYR 73 Cb -0.15 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.37 1ttf s TYR 73 CO 0.01 -0.94 0.47 0.00 -1.11 0.00 0.00 175.55 173.99 1ttf s ALA 74 N 1.43 3.45 -0.18 3.71 0.00 -1.26 -1.95 121.76 126.97 1ttf s ALA 74 Ca 0.04 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 1ttf s ALA 74 Cb -0.25 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1ttf s ALA 74 CO 0.01 -1.34 -0.00 0.08 0.00 0.00 0.00 175.76 174.51 1ttf s VAL 75 N 2.29 4.14 0.32 0.00 1.01 -1.01 -4.42 120.40 122.72 1ttf s VAL 75 Ca 0.16 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1ttf s VAL 75 Cb -0.16 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 1ttf s VAL 75 CO 0.14 0.47 -0.07 0.42 0.00 0.00 0.00 175.10 176.05 1ttf s THR 76 N 0.55 1.95 -0.18 3.92 -4.23 -1.26 -2.24 115.64 114.15 1ttf s THR 76 Ca -0.01 -2.16 -0.30 0.00 -1.18 0.00 0.00 61.69 58.04 1ttf s THR 76 Cb -0.14 -2.58 0.14 0.00 1.34 0.00 0.00 72.50 71.26 1ttf s THR 76 CO 0.02 -0.23 1.10 -0.83 -0.54 0.00 0.00 174.62 174.14 1ttf s GLY 77 N -3.54 -0.21 0.10 3.99 0.00 -1.26 -4.66 107.32 101.74 1ttf s GLY 77 Ca 0.31 2.04 0.21 0.00 0.00 0.00 0.00 44.72 47.28 1ttf s GLY 77 CO 0.15 0.90 0.83 -2.13 0.00 0.00 0.00 173.10 172.85 1ttf n ARG 78 N 0.46 0.62 0.00 2.90 0.63 -1.26 -4.76 116.66 115.26 1ttf n ARG 78 Ca -0.06 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1ttf n ARG 78 Cb 0.59 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ttf n GLY 79 N 1.28 -0.17 0.00 5.14 0.00 -1.26 -5.00 105.19 105.19 1ttf n GLY 79 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ttf n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ttf n ASP 80 N -1.81 0.00 -4.51 1.61 5.75 -1.26 -5.15 116.55 111.19 1ttf n ASP 80 Ca 0.00 -0.16 -0.31 0.00 -0.01 0.00 0.00 54.79 54.31 1ttf n ASP 80 Cb 0.00 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.27 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ttf n SER 81 N 0.00 -1.12 -1.01 -1.12 7.64 -1.26 -4.75 113.62 112.00 1ttf n SER 81 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1ttf n SER 81 Cb 0.04 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1ttf n SER 81 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ttf n PRO 82 N -3.48 0.40 -1.53 1.43 -0.04 -1.26 -4.81 135.00 125.71 1ttf n PRO 82 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1ttf n PRO 82 Cb 0.54 -1.30 -0.15 0.00 -0.04 0.00 0.00 33.50 32.55 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ttf n ALA 83 N 0.81 0.74 -2.42 0.55 0.00 -1.26 -4.86 120.51 114.07 1ttf n ALA 83 Ca 0.00 -1.02 -0.39 0.00 0.00 0.00 0.00 53.44 52.04 1ttf n ALA 83 Cb 0.20 -2.79 -0.06 0.00 0.00 0.00 0.00 19.45 16.80 1ttf n ALA 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ttf s SER 84 N 5.69 6.96 0.00 0.00 0.01 -1.26 -4.46 113.70 120.64 1ttf s SER 84 Ca 1.15 1.15 0.00 0.00 1.31 0.00 0.00 55.95 59.55 1ttf s SER 84 Cb -0.56 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.33 1ttf s SER 84 CO 0.35 0.20 0.00 -0.24 0.41 0.00 0.00 173.24 173.96 1ttf n SER 85 N 2.25 0.00 -3.76 2.44 2.88 -1.26 -4.98 113.62 111.18 1ttf n SER 85 Ca -0.09 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 1ttf n SER 85 Cb 0.51 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 1ttf n SER 85 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ttf s LYS 86 N 2.65 1.26 0.76 -1.46 1.02 -1.26 -5.10 119.74 117.61 1ttf s LYS 86 Ca 0.00 -1.88 -0.12 0.00 0.02 0.00 0.00 55.97 53.99 1ttf s LYS 86 Cb 0.00 -2.44 0.05 0.00 -0.52 0.00 0.00 37.83 34.93 1ttf s LYS 86 CO 0.00 -1.11 1.11 -1.25 -0.92 0.00 0.00 175.35 173.19 1ttf s PRO 87 N 0.57 2.22 -0.00 -1.68 0.04 -1.26 -4.78 135.00 130.11 1ttf s PRO 87 Ca 0.16 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1ttf s PRO 87 Cb -0.23 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1ttf s PRO 87 CO -0.05 -1.69 0.23 -1.50 0.04 0.00 0.00 177.00 174.03 1ttf s ILE 88 N -2.64 0.07 0.02 0.56 2.07 -1.12 -5.05 121.20 115.11 1ttf s ILE 88 Ca 0.65 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1ttf s ILE 88 Cb -0.20 -0.57 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 1ttf s ILE 88 CO 0.52 -0.33 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.74 1ttf s SER 89 N -1.44 0.32 -0.14 4.50 0.01 -1.26 -2.07 113.70 113.63 1ttf s SER 89 Ca -0.13 -0.53 -0.16 0.00 1.31 0.00 0.00 55.95 56.44 1ttf s SER 89 Cb -0.06 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.31 1ttf s SER 89 CO 0.02 -0.30 0.44 0.27 0.41 0.00 0.00 173.24 174.08 1ttf s ILE 90 N -1.55 0.01 0.10 1.44 -4.36 -0.90 -5.03 121.20 110.91 1ttf s ILE 90 Ca -0.14 -0.07 -0.11 0.00 -0.26 0.00 0.00 60.65 60.08 1ttf s ILE 90 Cb -0.09 -0.64 -0.06 0.00 1.25 0.00 0.00 42.46 42.92 1ttf s ILE 90 CO -0.01 -0.04 0.44 0.54 0.24 0.00 0.00 174.94 176.11 1ttf s ASN 91 N -0.05 6.67 -0.21 4.36 4.22 -1.26 -2.65 114.94 126.02 1ttf s ASN 91 Ca -0.02 0.85 -0.21 0.00 -2.14 0.00 0.00 52.86 51.34 1ttf s ASN 91 Cb -0.03 -2.20 0.06 0.00 1.28 0.00 0.00 41.25 40.35 1ttf s ASN 91 CO 0.02 0.14 0.58 -0.47 -2.04 0.00 0.00 177.10 175.33 1ttf s TYR 92 N -1.44 -0.63 -0.26 1.54 5.04 -0.89 -5.01 117.35 115.69 1ttf s TYR 92 Ca 0.35 1.52 -0.25 0.00 -2.44 0.00 0.00 57.07 56.24 1ttf s TYR 92 Cb -0.14 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1ttf s TYR 92 CO 0.19 -0.32 0.88 0.50 -1.34 0.00 0.00 175.55 175.45 1ttf s ARG 93 N 0.20 4.13 0.00 4.97 3.00 -1.26 -1.89 118.95 128.10 1ttf s ARG 93 Ca -0.01 0.94 0.00 0.00 -1.00 0.00 0.00 55.73 55.66 1ttf s ARG 93 Cb -0.04 -3.67 0.00 0.00 0.00 0.00 0.00 34.95 31.24 1ttf s ARG 93 CO 0.01 -0.61 0.46 2.41 0.00 0.00 0.00 175.30 177.57