#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 6.67 0.00 -1.34 0.01 -1.26 -4.55 113.70 113.23 1ttf s SER 2 Ca 0.00 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1ttf s SER 2 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ttf s SER 2 CO 0.00 -0.99 0.39 0.47 0.41 0.00 0.00 173.24 173.52 1ttf n ASP 3 N 7.42 0.00 -4.68 2.44 8.00 -1.26 -5.08 116.55 123.39 1ttf n ASP 3 Ca 0.16 -0.99 -0.53 0.00 0.71 0.00 0.00 54.79 54.14 1ttf n ASP 3 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 1ttf n ASP 3 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ttf n VAL 4 N 0.00 0.30 -0.24 2.53 0.31 -1.26 -4.84 118.33 115.13 1ttf n VAL 4 Ca 0.00 -0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 1ttf n VAL 4 Cb 0.49 -1.37 0.04 0.00 -0.91 0.00 0.00 33.84 32.10 1ttf n VAL 4 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ttf h PRO 5 N 7.21 1.04 -1.65 5.55 0.13 -1.85 -3.47 132.00 138.95 1ttf h PRO 5 Ca -0.47 -0.23 0.09 0.00 -0.87 0.00 0.00 66.00 64.52 1ttf h PRO 5 Cb 1.30 -0.15 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1ttf h PRO 5 CO 0.92 0.91 0.54 0.50 -0.23 0.00 0.00 178.00 180.64 1ttf s ARG 6 N -5.40 0.62 -0.49 0.86 6.06 -1.15 -4.88 118.95 114.58 1ttf s ARG 6 Ca -0.12 0.08 -0.27 0.00 -2.50 0.00 0.00 55.73 52.92 1ttf s ARG 6 Cb 0.14 0.29 -0.03 0.00 0.06 0.00 0.00 34.95 35.41 1ttf s ARG 6 CO 0.83 -0.21 1.95 -0.51 -2.50 0.00 0.00 175.30 174.86 1ttf s ASP 7 N -1.31 5.32 -0.35 -2.12 1.11 -1.26 -3.24 116.67 114.83 1ttf s ASP 7 Ca -0.01 0.80 -0.43 0.00 0.18 0.00 0.00 52.55 53.10 1ttf s ASP 7 Cb -0.01 -2.52 -0.19 0.00 1.07 0.00 0.00 42.92 41.27 1ttf s ASP 7 CO 0.00 -2.25 1.39 0.18 1.18 0.00 0.00 175.17 175.67 1ttf n LEU 8 N 12.51 0.83 -3.61 1.23 4.77 -1.25 -4.74 117.00 126.76 1ttf n LEU 8 Ca 0.24 1.13 -0.04 0.00 -0.03 0.00 0.00 56.01 57.31 1ttf n LEU 8 Cb 0.51 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1ttf n LEU 8 CO 0.70 -1.09 1.03 -0.70 -1.33 0.00 0.00 177.39 176.01 1ttf s GLU 9 N 2.08 0.26 -0.38 3.23 2.12 -0.92 -4.99 118.70 120.10 1ttf s GLU 9 Ca 0.97 -0.07 -0.23 0.00 0.36 0.00 0.00 54.97 56.00 1ttf s GLU 9 Cb -1.38 0.12 0.01 0.00 0.26 0.00 0.00 34.13 33.14 1ttf s GLU 9 CO 0.72 -0.11 0.78 0.08 -0.54 0.00 0.00 175.26 176.19 1ttf s VAL 10 N -2.09 4.73 0.00 3.70 1.01 -1.26 -2.28 120.40 124.20 1ttf s VAL 10 Ca 0.09 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1ttf s VAL 10 Cb -0.01 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1ttf s VAL 10 CO -0.04 -0.47 0.38 0.52 0.00 0.00 0.00 175.10 175.49 1ttf n VAL 11 N 5.84 0.00 -4.12 2.92 0.31 -0.92 -5.01 118.33 117.35 1ttf n VAL 11 Ca 0.03 0.84 -0.14 0.00 -0.01 0.00 0.00 64.34 65.06 1ttf n VAL 11 Cb 0.48 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf s ALA 12 N -3.03 0.83 0.04 3.52 0.00 -1.20 -5.03 121.76 116.90 1ttf s ALA 12 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.47 1ttf s ALA 12 Cb 0.00 1.23 -0.02 0.00 0.00 0.00 0.00 23.12 24.33 1ttf s ALA 12 CO 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 175.76 174.91 1ttf s ALA 13 N -3.49 0.82 0.09 0.00 0.00 -1.26 -1.83 121.76 116.09 1ttf s ALA 13 Ca 0.32 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 1ttf s ALA 13 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1ttf s ALA 13 CO 0.18 0.09 0.08 0.95 0.00 0.00 0.00 175.76 177.06 1ttf s THR 14 N -1.05 0.16 -0.40 0.00 -4.23 0.36 -4.98 115.64 105.51 1ttf s THR 14 Ca -0.04 -1.60 -0.31 0.00 -1.18 0.00 0.00 61.69 58.57 1ttf s THR 14 Cb -0.08 -1.58 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 1ttf s THR 14 CO 0.01 -0.74 2.29 -2.65 -0.54 0.00 0.00 174.62 172.99 1ttf n PRO 15 N -0.01 1.23 -0.51 3.99 -0.01 -1.26 -0.72 135.00 137.70 1ttf n PRO 15 Ca -0.12 0.27 0.00 0.00 -0.01 0.00 0.00 63.50 63.63 1ttf n PRO 15 Cb 0.62 -2.82 0.00 0.00 -0.01 0.00 0.00 33.50 31.29 1ttf n PRO 15 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 175.50 173.12 1ttf n THR 16 N 7.57 0.00 -4.54 3.45 5.66 -1.26 -4.96 114.28 120.20 1ttf n THR 16 Ca 0.39 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 61.17 1ttf n THR 16 Cb 0.35 -0.12 -0.16 0.00 -1.55 0.00 0.00 70.33 68.85 1ttf n THR 16 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ttf s SER 17 N -2.87 1.50 0.11 1.09 0.15 0.10 -3.44 113.70 110.34 1ttf s SER 17 Ca 0.00 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1ttf s SER 17 Cb 0.00 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1ttf s SER 17 CO 0.00 0.10 -0.13 -0.22 1.20 0.00 0.00 173.24 174.20 1ttf s LEU 18 N 0.06 2.39 -0.18 3.45 2.96 -0.44 0.14 118.68 127.05 1ttf s LEU 18 Ca -0.02 -0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1ttf s LEU 18 Cb -0.09 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.15 1ttf s LEU 18 CO 0.01 -0.18 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.49 1ttf s LEU 19 N -2.34 2.43 0.24 -0.68 2.96 -0.76 -1.35 118.68 119.17 1ttf s LEU 19 Ca 0.06 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1ttf s LEU 19 Cb -0.05 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1ttf s LEU 19 CO 0.02 0.03 -0.16 0.27 -1.32 0.00 0.00 176.35 175.19 1ttf s ILE 20 N 1.15 1.98 -0.00 6.68 -4.36 -1.08 -2.15 121.20 123.42 1ttf s ILE 20 Ca 0.01 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.15 1ttf s ILE 20 Cb -0.14 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 1ttf s ILE 20 CO -0.06 -0.51 -0.08 -0.44 0.24 0.00 0.00 174.94 174.10 1ttf s SER 21 N -3.39 0.90 0.00 4.36 0.01 -0.97 -2.24 113.70 112.37 1ttf s SER 21 Ca 0.26 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1ttf s SER 21 Cb -0.02 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1ttf s SER 21 CO 0.10 0.08 0.00 -2.67 0.41 0.00 0.00 173.24 171.16 1ttf n TRP 22 N 2.82 0.00 -2.40 2.43 2.14 -1.12 -2.16 117.44 119.15 1ttf n TRP 22 Ca -0.14 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.43 1ttf n TRP 22 Cb 0.57 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.07 1ttf n TRP 22 CO 0.00 0.00 0.00 -0.40 2.07 0.00 0.00 177.69 179.36 1ttf n ASP 23 N -1.08 0.00 -3.57 -0.67 5.75 -1.20 -2.91 116.55 112.87 1ttf n ASP 23 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1ttf n ASP 23 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1ttf n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ttf s ALA 24 N -1.84 -1.99 0.00 2.12 0.00 -1.26 -4.75 121.76 114.04 1ttf s ALA 24 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1ttf s ALA 24 Cb 0.00 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ttf s ALA 24 CO 0.00 -1.10 0.00 -0.35 0.00 0.00 0.00 175.76 174.31 1ttf n PRO 25 N -0.79 0.00 -0.04 0.00 -0.04 -1.26 -4.76 135.00 128.11 1ttf n PRO 25 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1ttf n PRO 25 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ttf n ALA 26 N -3.00 1.52 -1.12 0.55 0.00 -1.26 -4.49 120.51 112.71 1ttf n ALA 26 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 1ttf n ALA 26 Cb 0.00 0.09 0.12 0.00 0.00 0.00 0.00 19.45 19.66 1ttf n ALA 26 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ttf n VAL 27 N -3.98 1.99 -0.15 0.00 0.24 -1.26 -4.33 118.33 110.84 1ttf n VAL 27 Ca -0.08 -0.23 -0.19 0.00 -2.04 0.00 0.00 64.34 61.80 1ttf n VAL 27 Cb 0.31 -1.14 0.18 0.00 -1.47 0.00 0.00 33.84 31.73 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 -3.20 0.00 -3.69 3.34 -2.24 -1.26 -5.02 114.28 102.21 1ttf n THR 28 Ca 0.13 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.63 1ttf n THR 28 Cb 0.50 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.68 0.40 0.04 2.28 1.01 -1.26 -4.81 120.40 116.38 1ttf s VAL 29 Ca 0.41 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1ttf s VAL 29 Cb -0.07 -1.04 -0.10 0.00 0.00 0.00 0.00 36.38 35.17 1ttf s VAL 29 CO 0.34 -0.35 1.29 -0.09 0.00 0.00 0.00 175.10 176.30 1ttf h ARG 30 N 8.27 -0.61 -5.78 2.72 2.43 -1.85 -3.43 114.38 116.13 1ttf h ARG 30 Ca -0.16 0.04 -0.51 0.00 -0.81 0.00 0.00 59.98 58.54 1ttf h ARG 30 Cb 1.10 0.14 -0.24 0.00 -0.42 0.00 0.00 29.97 30.55 1ttf h ARG 30 CO 0.36 -0.40 -0.81 0.71 -1.51 0.00 0.00 179.97 178.31 1ttf s TYR 31 N -4.52 1.55 -0.15 2.20 1.51 -1.11 -3.91 117.35 112.92 1ttf s TYR 31 Ca -0.10 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 1ttf s TYR 31 Cb 0.02 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1ttf s TYR 31 CO 0.31 0.10 -0.06 0.71 -1.11 0.00 0.00 175.55 175.50 1ttf s TYR 32 N -1.00 2.97 -0.39 2.71 2.02 0.18 -2.76 117.35 121.08 1ttf s TYR 32 Ca 0.04 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1ttf s TYR 32 Cb -0.09 -1.92 0.10 0.00 -0.40 0.00 0.00 41.96 39.65 1ttf s TYR 32 CO 0.02 -0.07 0.16 0.50 -1.57 0.00 0.00 175.55 174.60 1ttf s ARG 33 N 0.31 2.01 -0.21 -0.62 3.52 -1.07 -1.51 118.95 121.38 1ttf s ARG 33 Ca -0.05 -1.75 -0.17 0.00 -0.13 0.00 0.00 55.73 53.63 1ttf s ARG 33 Cb -0.15 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1ttf s ARG 33 CO 0.04 -0.99 0.47 0.42 -0.81 0.00 0.00 175.30 174.42 1ttf s ILE 34 N 1.13 5.14 -0.05 4.11 1.01 -1.02 -1.79 121.20 129.74 1ttf s ILE 34 Ca 0.07 0.84 0.05 0.00 0.00 0.00 0.00 60.65 61.60 1ttf s ILE 34 Cb -0.22 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 1ttf s ILE 34 CO -0.04 0.19 -0.18 0.42 0.00 0.00 0.00 174.94 175.33 1ttf s THR 35 N 1.62 1.54 0.12 2.92 -4.23 -0.78 -1.54 115.64 115.30 1ttf s THR 35 Ca 0.21 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 1ttf s THR 35 Cb -0.15 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 1ttf s THR 35 CO 0.09 0.44 -0.13 -0.72 -0.54 0.00 0.00 174.62 173.76 1ttf s TYR 36 N 0.02 1.34 -0.22 3.99 1.13 -0.77 -1.88 117.35 120.97 1ttf s TYR 36 Ca -0.04 -0.59 -0.30 0.00 -1.41 0.00 0.00 57.07 54.72 1ttf s TYR 36 Cb -0.12 -0.70 0.16 0.00 -1.10 0.00 0.00 41.96 40.20 1ttf s TYR 36 CO 0.03 0.12 1.18 0.20 -2.51 0.00 0.00 175.55 174.57 1ttf s GLY 37 N -2.56 -0.11 0.06 5.49 0.00 -1.04 -0.91 107.32 108.26 1ttf s GLY 37 Ca 0.10 2.33 -0.24 0.00 0.00 0.00 0.00 44.72 46.91 1ttf s GLY 37 CO 0.02 1.00 0.71 1.85 0.00 0.00 0.00 173.10 176.69 1ttf s GLU 38 N -1.25 4.44 -0.59 2.90 2.12 -1.26 -2.64 118.70 122.43 1ttf s GLU 38 Ca 0.04 0.98 -0.37 0.00 0.36 0.00 0.00 54.97 55.99 1ttf s GLU 38 Cb -0.01 -3.33 -0.17 0.00 0.26 0.00 0.00 34.13 30.89 1ttf s GLU 38 CO -0.04 0.39 2.32 2.41 -0.54 0.00 0.00 175.26 179.80 1ttf n THR 39 N 2.46 0.05 -2.69 -1.70 -1.04 -1.23 -4.74 114.28 105.38 1ttf n THR 39 Ca -0.05 -0.14 -0.05 0.00 -2.04 0.00 0.00 64.05 61.78 1ttf n THR 39 Cb 0.50 -1.01 0.05 0.00 -1.82 0.00 0.00 70.33 68.05 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 6.85 -1.34 7.00 3.41 0.00 -1.26 -5.10 105.19 114.76 1ttf n GLY 40 Ca 0.52 0.89 0.00 0.00 0.00 0.00 0.00 46.02 47.44 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 1.96 -1.57 2.73 -0.02 0.00 -1.26 -4.14 105.19 102.90 1ttf n GLY 41 Ca 0.07 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 1ttf n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ttf n ASN 42 N -0.02 7.44 -3.44 1.61 4.05 -1.26 -4.79 115.26 118.86 1ttf n ASN 42 Ca 0.00 -3.71 -0.28 0.00 0.45 0.00 0.00 54.58 51.04 1ttf n ASN 42 Cb 0.00 -1.14 -0.11 0.00 1.23 0.00 0.00 39.78 39.76 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1ttf s SER 43 N -1.12 2.21 1.12 1.20 1.04 -1.26 -5.13 113.70 111.76 1ttf s SER 43 Ca 0.45 -2.65 -0.12 0.00 0.48 0.00 0.00 55.95 54.10 1ttf s SER 43 Cb 0.29 -0.44 0.26 0.00 0.10 0.00 0.00 66.02 66.23 1ttf s SER 43 CO -0.24 -0.24 1.05 -2.84 0.98 0.00 0.00 173.24 171.95 1ttf s PRO 44 N 0.53 -0.60 0.00 4.02 0.02 -1.26 -4.84 135.00 132.86 1ttf s PRO 44 Ca 0.26 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.16 1ttf s PRO 44 Cb -0.09 -1.59 0.00 0.00 0.02 0.00 0.00 34.50 32.84 1ttf s PRO 44 CO -0.10 -3.53 0.23 0.28 -0.33 0.00 0.00 177.00 173.56 1ttf n VAL 45 N -4.78 0.00 -3.85 3.83 0.31 -0.08 -4.94 118.33 108.81 1ttf n VAL 45 Ca 0.04 0.65 -0.08 0.00 -0.01 0.00 0.00 64.34 64.93 1ttf n VAL 45 Cb 0.54 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 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 -1.23 1.64 0.29 5.55 0.74 -1.08 -5.02 119.66 120.54 1ttf s GLN 46 Ca 0.00 -1.01 -0.01 0.00 0.05 0.00 0.00 55.36 54.39 1ttf s GLN 46 Cb 0.00 0.56 -0.02 0.00 1.10 0.00 0.00 33.01 34.65 1ttf s GLN 46 CO 0.00 -0.73 0.32 -1.83 -0.55 0.00 0.00 175.29 172.50 1ttf s GLU 47 N -3.93 1.61 -0.28 1.67 4.04 -1.26 -1.84 118.70 118.71 1ttf s GLU 47 Ca 0.13 -1.73 -0.20 0.00 0.04 0.00 0.00 54.97 53.21 1ttf s GLU 47 Cb -0.04 0.36 0.10 0.00 0.02 0.00 0.00 34.13 34.57 1ttf s GLU 47 CO 0.05 -0.62 0.82 -0.59 -1.84 0.00 0.00 175.26 173.08 1ttf s PHE 48 N -3.61 -0.79 0.56 4.83 -0.71 -0.59 -5.00 117.98 112.68 1ttf s PHE 48 Ca 0.35 1.71 -0.05 0.00 -1.04 0.00 0.00 56.93 57.90 1ttf s PHE 48 Cb 0.02 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 1ttf s PHE 48 CO 0.18 -0.38 0.86 0.95 -1.34 0.00 0.00 175.22 175.49 1ttf s THR 49 N 0.97 3.76 -0.27 -4.49 -4.23 -1.26 -2.44 115.64 107.67 1ttf s THR 49 Ca -0.05 -0.07 -0.24 0.00 -1.18 0.00 0.00 61.69 60.16 1ttf s THR 49 Cb -0.05 -3.47 0.09 0.00 1.34 0.00 0.00 72.50 70.41 1ttf s THR 49 CO -0.11 -0.46 0.80 0.54 -0.54 0.00 0.00 174.62 174.86 1ttf s VAL 50 N -2.91 0.00 -0.65 2.29 0.11 -0.57 -4.96 120.40 113.70 1ttf s VAL 50 Ca 0.53 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1ttf s VAL 50 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1ttf s VAL 50 CO 0.44 0.00 0.02 -2.65 -3.33 0.00 0.00 175.10 169.58 1ttf n PRO 51 N 2.82 0.03 -0.67 1.54 -0.01 -1.26 -0.65 135.00 136.80 1ttf n PRO 51 Ca -0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.32 1ttf n PRO 51 Cb 0.56 -1.18 -0.01 0.00 -0.01 0.00 0.00 33.50 32.86 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ttf n GLY 52 N 0.66 0.22 0.31 -1.23 0.00 -1.25 -4.67 105.19 99.23 1ttf n GLY 52 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -3.34 1.61 0.02 -1.88 -3.39 113.55 106.57 1ttf h SER 53 Ca -0.05 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.24 1ttf h SER 53 Cb 0.52 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.73 1ttf h SER 53 CO 0.07 0.00 -0.87 -0.54 -1.14 0.00 0.00 176.83 174.35 1ttf s LYS 54 N -4.58 2.88 0.00 3.45 1.02 -1.26 -4.99 119.74 116.27 1ttf s LYS 54 Ca -0.05 -0.82 0.29 0.00 0.02 0.00 0.00 55.97 55.41 1ttf s LYS 54 Cb 0.15 -2.20 1.25 0.00 -0.52 0.00 0.00 37.83 36.52 1ttf s LYS 54 CO 0.53 0.15 1.93 0.43 -0.92 0.00 0.00 175.35 177.48 1ttf n SER 55 N 3.58 0.00 -4.03 2.83 7.64 -1.26 -4.81 113.62 117.57 1ttf n SER 55 Ca -0.19 0.44 -0.08 0.00 1.01 0.00 0.00 58.87 60.05 1ttf n SER 55 Cb 0.53 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 1ttf n SER 55 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ttf s THR 56 N -2.96 0.16 0.10 0.44 -4.23 -1.26 -2.78 115.64 105.12 1ttf s THR 56 Ca 0.15 -1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 59.07 1ttf s THR 56 Cb 0.19 -0.87 0.08 0.00 1.34 0.00 0.00 72.50 73.24 1ttf s THR 56 CO 0.52 -0.74 0.72 0.00 -0.54 0.00 0.00 174.62 174.58 1ttf s ALA 57 N -2.65 -1.67 0.38 3.99 0.00 -0.95 -5.03 121.76 115.82 1ttf s ALA 57 Ca -0.05 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.51 1ttf s ALA 57 Cb -0.01 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1ttf s ALA 57 CO -0.05 -0.76 0.66 0.99 0.00 0.00 0.00 175.76 176.60 1ttf s THR 58 N -3.51 4.97 -0.16 0.00 2.01 -1.26 -2.63 115.64 115.05 1ttf s THR 58 Ca 0.03 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1ttf s THR 58 Cb -0.01 -3.80 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1ttf s THR 58 CO -0.10 -0.57 0.38 -0.51 -0.69 0.00 0.00 174.62 173.13 1ttf s ILE 59 N -2.38 -0.09 -0.11 1.82 2.07 -0.46 -4.96 121.20 117.09 1ttf s ILE 59 Ca 0.45 0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.79 1ttf s ILE 59 Cb -0.10 -0.58 0.04 0.00 0.13 0.00 0.00 42.46 41.95 1ttf s ILE 59 CO 0.36 0.05 0.00 -0.55 -1.91 0.00 0.00 174.94 172.89 1ttf s SER 60 N 1.50 2.01 0.00 4.50 0.15 -1.26 -1.33 113.70 119.27 1ttf s SER 60 Ca -0.09 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1ttf s SER 60 Cb -0.09 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1ttf s SER 60 CO -0.12 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1ttf n GLY 61 N 5.10 0.00 0.00 9.45 0.00 -1.22 -5.02 105.19 113.50 1ttf n GLY 61 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.25 0.00 0.00 0.99 -0.00 -1.26 -5.04 117.00 111.44 1ttf n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ttf n LEU 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ttf n LEU 62 CO 0.00 -0.37 0.00 1.17 -0.00 0.00 0.00 177.39 178.19 1ttf n LYS 63 N -0.68 0.00 -1.22 1.47 4.81 -1.26 -4.74 118.16 116.54 1ttf n LYS 63 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1ttf n LYS 63 Cb 0.00 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.13 1ttf n LYS 63 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ttf n PRO 64 N -1.51 -0.24 -3.48 1.64 -0.05 -1.26 -4.77 135.00 125.34 1ttf n PRO 64 Ca 0.00 -1.16 -0.27 0.00 -0.05 0.00 0.00 63.50 62.02 1ttf n PRO 64 Cb 0.00 -0.52 -0.09 0.00 -0.05 0.00 0.00 33.50 32.84 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1ttf n GLY 65 N 0.94 4.16 3.52 0.55 0.00 -1.26 -4.92 105.19 108.18 1ttf n GLY 65 Ca 0.08 -2.44 -0.24 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.90 1.59 -0.37 1.61 0.11 -0.06 -4.81 120.40 116.58 1ttf s VAL 66 Ca 0.36 -2.01 -0.37 0.00 -2.93 0.00 0.00 61.98 57.02 1ttf s VAL 66 Cb 0.11 -2.86 -0.13 0.00 -1.53 0.00 0.00 36.38 31.97 1ttf s VAL 66 CO -0.07 -0.03 2.16 0.47 -3.33 0.00 0.00 175.10 174.30 1ttf n ASP 67 N -0.80 1.93 -4.20 3.54 8.00 -1.26 -2.56 116.55 121.20 1ttf n ASP 67 Ca -0.04 0.49 -0.29 0.00 0.71 0.00 0.00 54.79 55.66 1ttf n ASP 67 Cb 0.66 -1.20 -0.16 0.00 -0.02 0.00 0.00 41.12 40.40 1ttf n ASP 67 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ttf s TYR 68 N 6.91 2.09 -0.09 1.24 2.02 -0.96 -3.52 117.35 125.04 1ttf s TYR 68 Ca 1.11 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 57.20 1ttf s TYR 68 Cb -0.97 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 1ttf s TYR 68 CO 0.52 -0.21 -0.16 0.95 -1.57 0.00 0.00 175.55 175.08 1ttf s THR 69 N -0.02 2.83 0.23 -0.71 -4.23 -1.08 -2.44 115.64 110.23 1ttf s THR 69 Ca -0.05 -0.77 0.10 0.00 -1.18 0.00 0.00 61.69 59.79 1ttf s THR 69 Cb -0.13 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 1ttf s THR 69 CO 0.03 0.56 -0.19 0.27 -0.54 0.00 0.00 174.62 174.75 1ttf s ILE 70 N -0.11 2.18 -0.17 2.99 -5.25 -1.13 -2.49 121.20 117.22 1ttf s ILE 70 Ca -0.02 -2.25 -0.17 0.00 -0.99 0.00 0.00 60.65 57.22 1ttf s ILE 70 Cb -0.14 -2.15 0.05 0.00 2.95 0.00 0.00 42.46 43.17 1ttf s ILE 70 CO 0.04 -0.41 0.48 -0.89 -1.79 0.00 0.00 174.94 172.36 1ttf s THR 71 N -2.48 0.00 -0.19 8.37 2.01 -0.79 -2.58 115.64 119.98 1ttf s THR 71 Ca 0.25 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 1ttf s THR 71 Cb -0.04 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 1ttf s THR 71 CO 0.11 -0.01 -0.10 0.68 -0.69 0.00 0.00 174.62 174.61 1ttf s VAL 72 N 0.13 2.98 -0.43 3.82 -7.23 -1.03 -1.87 120.40 116.76 1ttf s VAL 72 Ca -0.01 -0.64 -0.19 0.00 -1.81 0.00 0.00 61.98 59.33 1ttf s VAL 72 Cb -0.03 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.62 1ttf s VAL 72 CO 0.01 0.47 0.55 -0.31 -0.31 0.00 0.00 175.10 175.51 1ttf s TYR 73 N 1.22 3.11 -0.86 2.82 1.51 -0.74 -2.85 117.35 121.57 1ttf s TYR 73 Ca 0.02 -0.22 -0.23 0.00 -1.01 0.00 0.00 57.07 55.64 1ttf s TYR 73 Cb -0.14 -3.15 0.07 0.00 -0.11 0.00 0.00 41.96 38.63 1ttf s TYR 73 CO -0.04 -0.80 1.23 0.00 -1.11 0.00 0.00 175.55 174.82 1ttf s ALA 74 N 2.50 2.98 -0.23 3.71 0.00 -1.26 -2.59 121.76 126.88 1ttf s ALA 74 Ca 0.17 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 49.90 1ttf s ALA 74 Cb -0.16 -4.20 -0.05 0.00 0.00 0.00 0.00 23.12 18.71 1ttf s ALA 74 CO 0.16 -3.20 0.13 0.08 0.00 0.00 0.00 175.76 172.93 1ttf s VAL 75 N 4.32 5.19 0.00 0.00 1.01 -1.11 -4.37 120.40 125.43 1ttf s VAL 75 Ca 0.35 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1ttf s VAL 75 Cb -0.06 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1ttf s VAL 75 CO -0.01 0.37 0.00 0.41 0.00 0.00 0.00 175.10 175.88 1ttf n THR 76 N 4.13 0.00 0.00 3.92 -1.04 -1.26 -2.73 114.28 117.30 1ttf n THR 76 Ca -0.15 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1ttf n THR 76 Cb 0.52 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 77 N 3.66 -1.80 3.98 3.41 0.00 -1.26 -4.83 105.19 108.35 1ttf n GLY 77 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 1ttf n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttf s ARG 78 N -5.18 3.08 -1.20 1.61 0.52 -1.26 -4.98 118.95 111.54 1ttf s ARG 78 Ca 0.00 -0.85 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 1ttf s ARG 78 Cb 0.00 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 1ttf s ARG 78 CO 0.00 -0.07 1.93 0.41 0.02 0.00 0.00 175.30 177.58 1ttf n GLY 79 N -1.80 2.50 0.00 -3.53 0.00 -1.26 -3.81 105.19 97.29 1ttf n GLY 79 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1ttf n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ttf n ASP 80 N 9.47 0.00 -4.07 1.61 2.03 -1.26 -5.08 116.55 119.25 1ttf n ASP 80 Ca 0.49 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.47 1ttf n ASP 80 Cb 0.44 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.70 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ttf s SER 81 N 0.00 4.91 -0.45 1.67 0.15 -1.25 -5.06 113.70 113.67 1ttf s SER 81 Ca 0.00 -2.00 -0.27 0.00 0.70 0.00 0.00 55.95 54.39 1ttf s SER 81 Cb 0.00 -1.69 -0.05 0.00 -1.71 0.00 0.00 66.02 62.57 1ttf s SER 81 CO 0.00 -0.41 2.14 -2.84 1.20 0.00 0.00 173.24 173.33 1ttf s PRO 82 N 1.02 2.60 -0.12 5.44 0.02 -1.26 -4.13 135.00 138.57 1ttf s PRO 82 Ca 0.07 1.31 0.03 0.00 0.02 0.00 0.00 61.00 62.43 1ttf s PRO 82 Cb -0.20 -4.44 0.01 0.00 0.02 0.00 0.00 34.50 29.89 1ttf s PRO 82 CO -0.06 -2.72 -0.21 0.00 -0.33 0.00 0.00 177.00 173.69 1ttf s ALA 83 N 9.90 2.04 0.16 -1.55 0.00 -1.26 -5.01 121.76 126.03 1ttf s ALA 83 Ca 0.87 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1ttf s ALA 83 Cb -0.19 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.98 1ttf s ALA 83 CO 0.27 0.07 1.10 0.45 0.00 0.00 0.00 175.76 177.65 1ttf s SER 84 N 0.69 7.27 0.00 0.00 0.15 -1.26 -4.24 113.70 116.31 1ttf s SER 84 Ca -0.11 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1ttf s SER 84 Cb -0.16 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1ttf s SER 84 CO 0.02 -0.23 0.00 -1.54 1.20 0.00 0.00 173.24 172.69 1ttf n SER 85 N 2.61 0.00 -3.69 5.45 3.41 -1.26 -5.02 113.62 115.12 1ttf n SER 85 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 1ttf n SER 85 Cb 0.47 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1ttf n SER 85 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1ttf s LYS 86 N 0.00 0.11 0.89 4.33 -2.85 -1.26 -5.12 119.74 115.84 1ttf s LYS 86 Ca 0.00 0.59 -0.12 0.00 -1.00 0.00 0.00 55.97 55.45 1ttf s LYS 86 Cb 0.00 -0.15 0.13 0.00 -2.06 0.00 0.00 37.83 35.74 1ttf s LYS 86 CO 0.00 -0.26 1.09 -1.25 0.10 0.00 0.00 175.35 175.04 1ttf s PRO 87 N 2.00 1.27 -0.05 1.78 0.04 -1.26 -4.62 135.00 134.16 1ttf s PRO 87 Ca -0.01 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 1ttf s PRO 87 Cb -0.12 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1ttf s PRO 87 CO -0.07 -2.23 0.04 -1.50 0.04 0.00 0.00 177.00 173.28 1ttf s ILE 88 N -2.95 0.04 0.33 0.56 2.07 -1.13 -5.01 121.20 115.11 1ttf s ILE 88 Ca 0.63 0.30 0.09 0.00 -1.41 0.00 0.00 60.65 60.26 1ttf s ILE 88 Cb -0.18 -0.25 -0.06 0.00 0.13 0.00 0.00 42.46 42.10 1ttf s ILE 88 CO 0.57 0.19 -0.09 -0.44 -1.91 0.00 0.00 174.94 173.26 1ttf s SER 89 N 1.93 3.48 -0.09 4.50 0.01 -1.26 -2.46 113.70 119.81 1ttf s SER 89 Ca 0.03 -1.20 -0.08 0.00 1.31 0.00 0.00 55.95 56.01 1ttf s SER 89 Cb -0.12 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.83 1ttf s SER 89 CO -0.03 -0.24 0.24 0.27 0.41 0.00 0.00 173.24 173.88 1ttf s ILE 90 N -2.71 0.00 0.01 1.44 -5.25 -1.07 -5.04 121.20 108.59 1ttf s ILE 90 Ca 0.32 -0.02 -0.00 0.00 -0.99 0.00 0.00 60.65 59.95 1ttf s ILE 90 Cb 0.03 -0.34 -0.04 0.00 2.95 0.00 0.00 42.46 45.05 1ttf s ILE 90 CO 0.15 -0.01 0.12 0.21 -1.79 0.00 0.00 174.94 173.62 1ttf s ASN 91 N 0.07 5.89 -0.27 4.36 3.84 -1.26 -2.84 114.94 124.72 1ttf s ASN 91 Ca -0.01 0.19 -0.26 0.00 0.21 0.00 0.00 52.86 52.99 1ttf s ASN 91 Cb -0.02 -1.73 0.15 0.00 -0.55 0.00 0.00 41.25 39.10 1ttf s ASN 91 CO 0.00 0.25 1.19 -0.47 -2.79 0.00 0.00 177.10 175.29 1ttf s TYR 92 N -1.28 -0.28 -0.45 0.43 5.04 -1.02 -5.04 117.35 114.75 1ttf s TYR 92 Ca 0.26 0.66 -0.29 0.00 -2.44 0.00 0.00 57.07 55.26 1ttf s TYR 92 Cb -0.12 0.42 0.01 0.00 0.35 0.00 0.00 41.96 42.62 1ttf s TYR 92 CO 0.17 -0.16 1.42 1.03 -1.34 0.00 0.00 175.55 176.67 1ttf s ARG 93 N -0.11 3.50 0.00 4.97 0.52 -1.26 -2.28 118.95 124.29 1ttf s ARG 93 Ca 0.04 0.83 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 1ttf s ARG 93 Cb -0.04 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 31.38 1ttf s ARG 93 CO -0.09 -1.66 0.45 0.25 0.02 0.00 0.00 175.30 174.27