#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttf n SER 2 N 0.00 0.00 -2.69 4.52 2.88 -1.26 -5.02 113.62 112.04 1ttf n SER 2 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1ttf n SER 2 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1ttf n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ttf n ASP 3 N 0.00 -0.50 -4.49 -3.46 2.03 -1.26 -5.13 116.55 103.74 1ttf n ASP 3 Ca 0.00 -2.49 -0.40 0.00 0.52 0.00 0.00 54.79 52.42 1ttf n ASP 3 Cb 0.00 0.36 0.02 0.00 -0.72 0.00 0.00 41.12 40.78 1ttf n ASP 3 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ttf n VAL 4 N -0.51 2.16 -0.84 5.18 0.31 -1.26 -4.87 118.33 118.50 1ttf n VAL 4 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1ttf n VAL 4 Cb 0.84 -0.73 0.10 0.00 -0.91 0.00 0.00 33.84 33.14 1ttf n VAL 4 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ttf n PRO 5 N 0.20 -0.71 -3.89 5.55 -0.02 -1.26 -5.00 135.00 129.88 1ttf n PRO 5 Ca 0.11 -0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.14 1ttf n PRO 5 Cb 0.43 -1.38 -0.01 0.00 -0.02 0.00 0.00 33.50 32.51 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ttf s ARG 6 N -2.78 2.27 -0.80 -0.52 1.70 -1.26 -4.99 118.95 112.56 1ttf s ARG 6 Ca 0.47 -1.99 -0.29 0.00 -0.47 0.00 0.00 55.73 53.45 1ttf s ARG 6 Cb -0.05 -2.10 -0.16 0.00 -0.57 0.00 0.00 34.95 32.06 1ttf s ARG 6 CO 0.68 -0.57 2.59 -3.47 -1.08 0.00 0.00 175.30 173.45 1ttf n ASP 7 N -1.72 1.06 -4.10 -2.89 -0.08 -1.26 -4.85 116.55 102.71 1ttf n ASP 7 Ca -0.02 -0.07 -0.36 0.00 -1.51 0.00 0.00 54.79 52.84 1ttf n ASP 7 Cb 0.64 -1.17 0.07 0.00 2.34 0.00 0.00 41.12 43.00 1ttf n ASP 7 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1ttf n LEU 8 N 12.46 -3.71 -3.76 -2.67 7.99 -1.26 -5.00 117.00 121.05 1ttf n LEU 8 Ca 0.55 0.10 -0.13 0.00 -0.01 0.00 0.00 56.01 56.52 1ttf n LEU 8 Cb 0.22 -0.76 -0.09 0.00 -0.11 0.00 0.00 43.42 42.68 1ttf n LEU 8 CO 0.85 -4.12 0.03 -1.61 -1.51 0.00 0.00 177.39 171.03 1ttf s GLU 9 N -2.42 0.62 -0.36 3.23 2.02 -1.02 -5.06 118.70 115.70 1ttf s GLU 9 Ca 0.43 -0.05 -0.11 0.00 0.02 0.00 0.00 54.97 55.26 1ttf s GLU 9 Cb -0.08 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.45 1ttf s GLU 9 CO 0.73 -0.16 0.21 0.08 0.02 0.00 0.00 175.26 176.14 1ttf s VAL 10 N -1.01 4.72 -0.09 2.63 1.01 -1.26 -2.21 120.40 124.19 1ttf s VAL 10 Ca -0.11 -0.70 0.15 0.00 0.00 0.00 0.00 61.98 61.32 1ttf s VAL 10 Cb -0.05 -3.57 -0.17 0.00 0.00 0.00 0.00 36.38 32.59 1ttf s VAL 10 CO 0.04 -0.17 0.78 0.58 0.00 0.00 0.00 175.10 176.33 1ttf h VAL 11 N 5.77 0.64 -2.57 2.92 2.07 -1.82 -3.48 116.25 119.78 1ttf h VAL 11 Ca -0.27 -2.27 -0.08 0.00 0.82 0.00 0.00 66.70 64.90 1ttf h VAL 11 Cb 1.12 2.19 -0.19 0.00 -1.52 0.00 0.00 31.29 32.89 1ttf h VAL 11 CO 0.66 0.36 -0.03 0.00 0.02 0.00 0.00 177.57 178.59 1ttf s ALA 12 N -2.80 -1.28 -0.17 1.67 0.00 -1.07 -5.01 121.76 113.09 1ttf s ALA 12 Ca -0.03 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.63 1ttf s ALA 12 Cb 0.08 0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.39 1ttf s ALA 12 CO 0.82 -0.36 0.36 0.00 0.00 0.00 0.00 175.76 176.58 1ttf s ALA 13 N -1.52 -0.94 0.08 0.00 0.00 -1.26 -1.59 121.76 116.51 1ttf s ALA 13 Ca -0.11 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1ttf s ALA 13 Cb -0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1ttf s ALA 13 CO 0.05 -0.67 -0.09 0.95 0.00 0.00 0.00 175.76 176.00 1ttf s THR 14 N 2.42 0.79 -1.95 0.00 -4.23 0.91 -5.00 115.64 108.58 1ttf s THR 14 Ca -0.02 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1ttf s THR 14 Cb -0.12 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1ttf s THR 14 CO -0.11 -0.50 0.21 -0.81 -0.54 0.00 0.00 174.62 172.87 1ttf n PRO 15 N 0.87 0.21 0.00 3.99 -0.04 -1.26 -1.38 135.00 137.40 1ttf n PRO 15 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1ttf n PRO 15 Cb 0.57 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ttf n THR 16 N -0.46 0.00 0.00 0.52 -1.04 -1.26 -4.87 114.28 107.18 1ttf n THR 16 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ttf n THR 16 Cb 0.00 1.31 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 1ttf n THR 16 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ttf n SER 17 N 0.00 0.00 -3.95 8.00 3.41 -0.48 -4.71 113.62 115.90 1ttf n SER 17 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1ttf n SER 17 Cb 0.41 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.19 1ttf n SER 17 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ttf s LEU 18 N 0.00 1.36 -0.52 1.04 0.20 0.43 -0.06 118.68 121.12 1ttf s LEU 18 Ca 0.00 -0.36 -0.17 0.00 0.69 0.00 0.00 54.13 54.29 1ttf s LEU 18 Cb 0.00 -0.96 0.10 0.00 -0.43 0.00 0.00 46.19 44.90 1ttf s LEU 18 CO 0.00 -0.10 0.53 -0.22 -0.29 0.00 0.00 176.35 176.27 1ttf s LEU 19 N 1.63 5.67 0.15 -0.68 0.20 -0.62 -1.45 118.68 123.58 1ttf s LEU 19 Ca 0.05 -1.44 0.03 0.00 0.69 0.00 0.00 54.13 53.45 1ttf s LEU 19 Cb -0.13 -2.26 -0.03 0.00 -0.43 0.00 0.00 46.19 43.34 1ttf s LEU 19 CO -0.09 -0.85 0.28 0.27 -0.29 0.00 0.00 176.35 175.67 1ttf s ILE 20 N 1.99 5.29 -0.04 6.68 -5.25 -0.82 -2.40 121.20 126.64 1ttf s ILE 20 Ca 0.07 -0.72 -0.07 0.00 -0.99 0.00 0.00 60.65 58.94 1ttf s ILE 20 Cb -0.25 -3.73 0.01 0.00 2.95 0.00 0.00 42.46 41.44 1ttf s ILE 20 CO 0.06 -0.11 0.18 -0.44 -1.79 0.00 0.00 174.94 172.85 1ttf s SER 21 N -3.27 -0.13 0.00 4.36 0.01 -0.94 -2.23 113.70 111.50 1ttf s SER 21 Ca 0.34 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.78 1ttf s SER 21 Cb -0.11 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1ttf s SER 21 CO 0.28 -0.19 0.00 -2.67 0.41 0.00 0.00 173.24 171.08 1ttf n TRP 22 N 2.39 0.00 -3.93 2.43 2.14 -0.99 -2.44 117.44 117.04 1ttf n TRP 22 Ca -0.16 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.14 1ttf n TRP 22 Cb 0.57 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 31.06 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 1.25 4.61 -0.36 -0.67 2.15 -1.26 -4.76 116.67 117.63 1ttf s ASP 23 Ca 0.00 -1.24 -0.03 0.00 0.43 0.00 0.00 52.55 51.70 1ttf s ASP 23 Cb 0.00 0.36 0.19 0.00 -0.30 0.00 0.00 42.92 43.16 1ttf s ASP 23 CO 0.00 -1.06 0.91 0.00 -0.17 0.00 0.00 175.17 174.85 1ttf s ALA 24 N -2.76 -3.72 1.17 3.66 0.00 -1.26 -4.86 121.76 113.99 1ttf s ALA 24 Ca 0.33 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 1ttf s ALA 24 Cb -0.02 -2.92 0.23 0.00 0.00 0.00 0.00 23.12 20.41 1ttf s ALA 24 CO 0.21 -2.40 0.63 -2.30 0.00 0.00 0.00 175.76 171.89 1ttf n PRO 25 N 3.87 -2.28 0.00 0.00 -0.02 -1.26 -4.91 135.00 130.39 1ttf n PRO 25 Ca 0.08 -0.64 0.13 0.00 -2.02 0.00 0.00 63.50 61.05 1ttf n PRO 25 Cb 0.61 -1.98 0.41 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 n ALA 26 N -4.83 3.11 -0.64 3.55 0.00 -1.26 -4.87 120.51 115.56 1ttf n ALA 26 Ca 0.02 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 1ttf n ALA 26 Cb 0.57 -1.21 0.19 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.13 0.00 -1.94 0.00 0.24 -1.26 -4.75 118.33 109.49 1ttf n VAL 27 Ca 0.10 -0.10 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1ttf n VAL 27 Cb 0.33 -0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 31.65 1ttf n VAL 27 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ttf s THR 28 N -2.58 3.38 -0.31 3.34 2.01 -1.26 -4.90 115.64 115.32 1ttf s THR 28 Ca 0.67 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.90 1ttf s THR 28 Cb -0.23 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1ttf s THR 28 CO 0.60 -0.73 0.94 -0.69 -0.69 0.00 0.00 174.62 174.05 1ttf s VAL 29 N 12.03 4.65 0.16 3.82 1.01 -1.26 -3.41 120.40 137.40 1ttf s VAL 29 Ca 0.74 1.49 -0.16 0.00 0.00 0.00 0.00 61.98 64.05 1ttf s VAL 29 Cb -0.05 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.10 1ttf s VAL 29 CO 0.09 -0.36 1.71 0.03 0.00 0.00 0.00 175.10 176.57 1ttf h ARG 30 N 8.07 0.14 0.00 2.72 3.08 -1.57 -3.43 114.38 123.39 1ttf h ARG 30 Ca -0.22 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1ttf h ARG 30 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1ttf h ARG 30 CO 0.96 0.09 0.00 2.48 -1.07 0.00 0.00 179.97 182.43 1ttf n TYR 31 N -5.15 0.00 -4.29 3.04 0.18 -1.09 -4.63 117.16 105.23 1ttf n TYR 31 Ca 0.02 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.54 1ttf n TYR 31 Cb 0.19 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.06 1ttf n TYR 31 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1ttf s TYR 32 N -2.00 2.65 -0.22 -3.48 1.51 -0.05 -2.54 117.35 113.23 1ttf s TYR 32 Ca 0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1ttf s TYR 32 Cb 0.00 -1.28 0.07 0.00 -0.11 0.00 0.00 41.96 40.64 1ttf s TYR 32 CO 0.00 0.53 0.06 0.50 -1.11 0.00 0.00 175.55 175.53 1ttf s ARG 33 N -2.95 0.57 -0.43 -0.62 3.52 -0.95 -1.87 118.95 116.22 1ttf s ARG 33 Ca 0.26 -0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 55.20 1ttf s ARG 33 Cb -0.08 -1.98 0.03 0.00 -1.56 0.00 0.00 34.95 31.35 1ttf s ARG 33 CO 0.16 -0.73 0.36 0.42 -0.81 0.00 0.00 175.30 174.70 1ttf s ILE 34 N 1.87 5.20 -0.10 4.11 1.01 -1.06 -2.46 121.20 129.77 1ttf s ILE 34 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1ttf s ILE 34 Cb -0.17 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1ttf s ILE 34 CO -0.13 -0.40 -0.12 0.42 0.00 0.00 0.00 174.94 174.71 1ttf s THR 35 N 1.82 3.24 0.05 2.92 -4.23 -0.89 -2.29 115.64 116.28 1ttf s THR 35 Ca 0.07 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1ttf s THR 35 Cb -0.19 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 1ttf s THR 35 CO 0.10 0.55 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.95 1ttf s TYR 36 N -0.16 0.65 -0.27 3.99 1.13 -0.86 -1.10 117.35 120.73 1ttf s TYR 36 Ca 0.00 -0.66 -0.29 0.00 -1.41 0.00 0.00 57.07 54.71 1ttf s TYR 36 Cb -0.13 -0.40 0.19 0.00 -1.10 0.00 0.00 41.96 40.51 1ttf s TYR 36 CO 0.03 -0.14 1.33 0.20 -2.51 0.00 0.00 175.55 174.46 1ttf s GLY 37 N -2.04 0.07 0.12 5.49 0.00 -1.06 -2.75 107.32 107.14 1ttf s GLY 37 Ca -0.04 2.80 -0.22 0.00 0.00 0.00 0.00 44.72 47.26 1ttf s GLY 37 CO -0.02 1.15 0.67 -1.83 0.00 0.00 0.00 173.10 173.08 1ttf s GLU 38 N -0.96 4.39 0.13 2.90 4.04 -1.26 -2.49 118.70 125.45 1ttf s GLU 38 Ca 0.08 0.95 -0.31 0.00 0.04 0.00 0.00 54.97 55.73 1ttf s GLU 38 Cb -0.01 -3.25 -0.09 0.00 0.02 0.00 0.00 34.13 30.80 1ttf s GLU 38 CO -0.07 0.60 1.44 0.99 -1.84 0.00 0.00 175.26 176.37 1ttf s THR 39 N -1.10 3.10 0.00 1.83 2.01 -1.24 -4.63 115.64 115.61 1ttf s THR 39 Ca 0.32 0.79 0.00 0.00 0.31 0.00 0.00 61.69 63.12 1ttf s THR 39 Cb -0.21 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1ttf s THR 39 CO 0.23 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1ttf n GLY 40 N 3.54 0.00 1.26 4.40 0.00 -1.26 -4.98 105.19 108.14 1ttf n GLY 40 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.06 0.84 0.01 -0.02 0.00 -1.26 -4.95 105.19 99.74 1ttf n GLY 41 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ttf n GLY 41 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ttf h ASN 42 N 0.00 -0.01 -2.25 1.61 -0.73 -1.94 -3.49 115.58 108.77 1ttf h ASN 42 Ca 0.00 0.00 0.17 0.00 1.87 0.00 0.00 56.30 58.34 1ttf h ASN 42 Cb 0.00 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.28 1ttf h ASN 42 CO 0.00 0.02 0.63 -0.94 -0.37 0.00 0.00 177.43 176.77 1ttf s SER 43 N -3.06 -0.22 0.67 1.15 1.04 -1.26 -5.15 113.70 106.87 1ttf s SER 43 Ca -0.00 0.35 -0.17 0.00 0.48 0.00 0.00 55.95 56.61 1ttf s SER 43 Cb 0.00 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.15 1ttf s SER 43 CO 0.00 -0.06 1.25 -2.16 0.98 0.00 0.00 173.24 173.26 1ttf s PRO 44 N 1.06 2.45 0.00 4.02 0.04 -1.26 -4.82 135.00 136.48 1ttf s PRO 44 Ca -0.07 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ttf s PRO 44 Cb -0.03 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1ttf s PRO 44 CO -0.12 -1.64 0.52 0.28 0.04 0.00 0.00 177.00 176.08 1ttf n VAL 45 N -2.17 0.00 -3.44 -0.36 0.31 -1.11 -4.99 118.33 106.57 1ttf n VAL 45 Ca 0.15 0.98 0.00 0.00 -0.01 0.00 0.00 64.34 65.46 1ttf n VAL 45 Cb 0.49 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1ttf n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf n GLN 46 N -0.70 0.00 -3.97 5.55 10.64 -1.14 -5.05 117.38 122.70 1ttf n GLN 46 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 1ttf n GLN 46 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.33 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 1ttf s GLU 47 N -1.32 1.60 -0.27 2.61 1.03 -1.26 -2.02 118.70 119.07 1ttf s GLU 47 Ca 0.00 -1.21 -0.15 0.00 0.03 0.00 0.00 54.97 53.64 1ttf s GLU 47 Cb 0.00 0.50 0.08 0.00 -0.80 0.00 0.00 34.13 33.91 1ttf s GLU 47 CO 0.00 -0.68 0.66 -0.59 -1.33 0.00 0.00 175.26 173.32 1ttf s PHE 48 N -3.97 -1.03 0.36 4.83 -0.71 -0.97 -5.00 117.98 111.49 1ttf s PHE 48 Ca 0.20 2.06 0.02 0.00 -1.04 0.00 0.00 56.93 58.17 1ttf s PHE 48 Cb -0.02 0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1ttf s PHE 48 CO 0.09 -0.52 0.54 0.95 -1.34 0.00 0.00 175.22 174.94 1ttf s THR 49 N 1.67 4.63 -0.01 -4.49 -4.23 -1.26 -2.57 115.64 109.38 1ttf s THR 49 Ca -0.10 -0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 59.60 1ttf s THR 49 Cb -0.06 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1ttf s THR 49 CO -0.19 -0.39 0.33 0.68 -0.54 0.00 0.00 174.62 174.52 1ttf s VAL 50 N -2.31 0.06 -1.89 2.29 -7.23 -0.78 -4.97 120.40 105.57 1ttf s VAL 50 Ca 0.42 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1ttf s VAL 50 Cb -0.10 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.17 1ttf s VAL 50 CO 0.35 -0.26 0.01 -0.81 -0.31 0.00 0.00 175.10 174.08 1ttf n PRO 51 N 1.16 0.00 -1.08 4.82 -0.04 -1.26 -0.87 135.00 137.73 1ttf n PRO 51 Ca -0.21 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.22 1ttf n PRO 51 Cb 0.56 -1.01 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.48 0.55 0.07 0.55 0.00 -1.26 -4.52 105.19 100.10 1ttf n GLY 52 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1ttf n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ttf h SER 53 N 0.00 0.00 -3.21 1.61 0.87 -1.93 -3.45 113.55 107.44 1ttf h SER 53 Ca -0.05 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.93 1ttf h SER 53 Cb 0.40 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 1ttf h SER 53 CO 0.08 0.99 0.76 -0.54 -0.53 0.00 0.00 176.83 177.59 1ttf s LYS 54 N -2.65 4.16 0.24 2.24 3.01 -1.26 -4.88 119.74 120.59 1ttf s LYS 54 Ca -0.02 1.16 0.26 0.00 -1.01 0.00 0.00 55.97 56.35 1ttf s LYS 54 Cb 0.09 -3.69 0.77 0.00 -1.01 0.00 0.00 37.83 33.99 1ttf s LYS 54 CO 0.82 -0.73 1.76 1.03 0.51 0.00 0.00 175.35 178.74 1ttf h SER 55 N 7.77 0.00 -5.64 2.83 0.87 -1.89 -3.47 113.55 114.03 1ttf h SER 55 Ca -0.20 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.04 1ttf h SER 55 Cb 1.07 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.92 1ttf h SER 55 CO 0.99 0.00 -0.35 0.42 -0.53 0.00 0.00 176.83 177.36 1ttf s THR 56 N -3.13 0.00 -0.10 2.23 -4.23 -1.26 -2.34 115.64 106.81 1ttf s THR 56 Ca 0.10 -1.78 -0.32 0.00 -1.18 0.00 0.00 61.69 58.51 1ttf s THR 56 Cb 0.11 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.54 1ttf s THR 56 CO 0.60 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.75 1ttf s ALA 57 N -3.42 -1.97 0.03 3.99 0.00 -0.95 -5.01 121.76 114.43 1ttf s ALA 57 Ca 0.35 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.69 1ttf s ALA 57 Cb 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1ttf s ALA 57 CO 0.21 -0.66 -0.24 0.99 0.00 0.00 0.00 175.76 176.06 1ttf s THR 58 N -2.72 1.96 0.17 0.00 2.01 -1.26 -1.95 115.64 113.85 1ttf s THR 58 Ca 0.08 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 60.84 1ttf s THR 58 Cb -0.01 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1ttf s THR 58 CO -0.06 0.36 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.59 1ttf s ILE 59 N -0.75 0.75 0.03 1.82 1.01 -0.53 -4.98 121.20 118.55 1ttf s ILE 59 Ca 0.10 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.77 1ttf s ILE 59 Cb -0.10 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 1ttf s ILE 59 CO 0.01 -0.51 0.03 -1.20 0.00 0.00 0.00 174.94 173.27 1ttf n SER 60 N -0.24 -0.07 -1.60 3.58 7.64 -1.26 -0.43 113.62 121.24 1ttf n SER 60 Ca -0.07 -1.15 -0.03 0.00 1.01 0.00 0.00 58.87 58.63 1ttf n SER 60 Cb 0.63 0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.99 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ttf n GLY 61 N -0.05 0.45 0.00 0.23 0.00 -1.26 -5.00 105.19 99.56 1ttf n GLY 61 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.65 0.00 -4.03 0.99 -0.00 -1.26 -5.09 117.00 105.96 1ttf n LEU 62 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.90 1ttf n LEU 62 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 1ttf n LEU 62 CO 0.10 0.00 -0.35 -0.54 -0.00 0.00 0.00 177.39 176.60 1ttf s LYS 63 N 1.15 0.47 -0.48 1.47 1.02 -1.26 -5.05 119.74 117.06 1ttf s LYS 63 Ca 0.00 -0.91 -0.27 0.00 0.02 0.00 0.00 55.97 54.82 1ttf s LYS 63 Cb 0.00 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1ttf s LYS 63 CO 0.00 -0.09 2.13 -1.25 -0.92 0.00 0.00 175.35 175.23 1ttf s PRO 64 N -2.70 2.55 -0.17 -1.68 0.04 -1.26 -4.15 135.00 127.64 1ttf s PRO 64 Ca -0.04 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 1ttf s PRO 64 Cb -0.01 -4.45 0.02 0.00 0.04 0.00 0.00 34.50 30.11 1ttf s PRO 64 CO -0.05 -2.78 0.11 0.41 0.04 0.00 0.00 177.00 174.72 1ttf n GLY 65 N 5.80 -4.33 3.54 0.56 0.00 -1.24 -5.08 105.19 104.43 1ttf n GLY 65 Ca 0.29 0.81 -0.12 0.00 0.00 0.00 0.00 46.02 47.00 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 -0.76 -0.00 -0.27 1.61 0.11 0.38 -4.95 120.40 116.52 1ttf s VAL 66 Ca -0.12 0.01 -0.37 0.00 -2.93 0.00 0.00 61.98 58.56 1ttf s VAL 66 Cb 0.01 -0.88 -0.13 0.00 -1.53 0.00 0.00 36.38 33.85 1ttf s VAL 66 CO 0.57 0.00 1.95 -0.67 -3.33 0.00 0.00 175.10 173.62 1ttf n ASP 67 N 3.13 2.52 -4.16 3.54 -0.08 -1.26 -2.47 116.55 117.76 1ttf n ASP 67 Ca -0.16 0.80 -0.30 0.00 -1.51 0.00 0.00 54.79 53.63 1ttf n ASP 67 Cb 0.56 -1.23 -0.17 0.00 2.34 0.00 0.00 41.12 42.62 1ttf n ASP 67 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ttf s TYR 68 N 5.12 2.22 -0.14 -0.67 2.02 -1.02 -3.66 117.35 121.22 1ttf s TYR 68 Ca 1.02 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1ttf s TYR 68 Cb -0.91 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 1ttf s TYR 68 CO 0.57 -0.37 -0.18 0.99 -1.57 0.00 0.00 175.55 174.98 1ttf s THR 69 N 0.43 2.45 0.23 -0.71 2.01 -1.04 -2.10 115.64 116.91 1ttf s THR 69 Ca -0.17 -0.85 0.11 0.00 0.31 0.00 0.00 61.69 61.08 1ttf s THR 69 Cb -0.17 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 1ttf s THR 69 CO 0.07 0.53 -0.18 0.27 -0.69 0.00 0.00 174.62 174.62 1ttf s ILE 70 N 0.70 2.62 -0.09 1.82 -4.36 -1.07 -2.56 121.20 118.26 1ttf s ILE 70 Ca -0.08 -2.13 -0.03 0.00 -0.26 0.00 0.00 60.65 58.15 1ttf s ILE 70 Cb -0.16 -2.33 0.04 0.00 1.25 0.00 0.00 42.46 41.27 1ttf s ILE 70 CO 0.01 -0.26 0.10 -0.89 0.24 0.00 0.00 174.94 174.15 1ttf s THR 71 N -2.08 -0.15 -0.17 8.37 2.01 -0.26 -2.30 115.64 121.05 1ttf s THR 71 Ca 0.26 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 1ttf s THR 71 Cb -0.07 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1ttf s THR 71 CO 0.14 0.04 -0.07 0.68 -0.69 0.00 0.00 174.62 174.72 1ttf s VAL 72 N 2.20 3.48 -0.15 3.82 -7.23 -0.84 -2.08 120.40 119.60 1ttf s VAL 72 Ca 0.04 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.69 1ttf s VAL 72 Cb -0.13 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1ttf s VAL 72 CO -0.06 0.48 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.86 1ttf s TYR 73 N 0.73 3.02 -0.66 2.82 1.51 -1.03 -2.69 117.35 121.05 1ttf s TYR 73 Ca -0.03 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1ttf s TYR 73 Cb -0.15 -1.95 0.17 0.00 -0.11 0.00 0.00 41.96 39.93 1ttf s TYR 73 CO 0.02 -0.02 0.52 0.00 -1.11 0.00 0.00 175.55 174.96 1ttf s ALA 74 N 0.31 3.70 -0.21 3.71 0.00 -1.26 -2.24 121.76 125.77 1ttf s ALA 74 Ca -0.04 -3.20 -0.18 0.00 0.00 0.00 0.00 51.96 48.54 1ttf s ALA 74 Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1ttf s ALA 74 CO 0.03 -2.13 0.51 0.08 0.00 0.00 0.00 175.76 174.26 1ttf s VAL 75 N 0.16 5.10 0.00 0.00 1.01 -1.05 -3.64 120.40 121.98 1ttf s VAL 75 Ca 0.16 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1ttf s VAL 75 Cb -0.18 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1ttf s VAL 75 CO -0.05 0.16 0.00 0.35 0.00 0.00 0.00 175.10 175.56 1ttf n THR 76 N 4.69 0.00 -0.41 3.92 -2.24 -1.26 -1.83 114.28 117.15 1ttf n THR 76 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ttf n THR 76 Cb 0.50 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttf n GLY 77 N 5.00 2.15 0.00 3.38 0.00 -1.22 -4.39 105.19 110.10 1ttf n GLY 77 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1ttf n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ttf n ARG 78 N 0.00 2.76 0.00 1.61 1.85 -1.26 -1.18 116.66 120.44 1ttf n ARG 78 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ttf n ARG 78 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ttf n GLY 79 N 4.69 0.00 0.00 2.89 0.00 -1.26 -4.85 105.19 106.66 1ttf n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -4.30 1.61 2.03 -1.26 -5.13 116.55 109.50 1ttf n ASP 80 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1ttf n ASP 80 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ttf s SER 81 N 0.00 1.80 -0.41 1.67 1.04 -1.26 -5.06 113.70 111.48 1ttf s SER 81 Ca 0.00 -1.16 -0.32 0.00 0.48 0.00 0.00 55.95 54.95 1ttf s SER 81 Cb 0.00 0.01 -0.11 0.00 0.10 0.00 0.00 66.02 66.02 1ttf s SER 81 CO 0.00 -0.46 2.28 -2.65 0.98 0.00 0.00 173.24 173.39 1ttf n PRO 82 N -0.35 1.09 -0.86 4.02 -0.02 -1.26 -4.60 135.00 133.02 1ttf n PRO 82 Ca -0.07 0.25 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 1ttf n PRO 82 Cb 0.63 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ttf n ALA 83 N 11.18 5.70 -2.40 3.55 0.00 -0.32 -4.90 120.51 133.33 1ttf n ALA 83 Ca 0.41 -1.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 1ttf n ALA 83 Cb 0.29 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 1ttf n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ttf s SER 84 N 2.03 7.13 0.00 0.00 0.15 -1.26 -4.14 113.70 117.61 1ttf s SER 84 Ca 0.51 2.00 0.00 0.00 0.70 0.00 0.00 55.95 59.16 1ttf s SER 84 Cb 0.24 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1ttf s SER 84 CO 0.00 -0.42 0.00 -1.54 1.20 0.00 0.00 173.24 172.48 1ttf n SER 85 N 3.70 0.00 -3.90 5.45 3.41 -1.24 -5.00 113.62 116.05 1ttf n SER 85 Ca 0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.43 1ttf n SER 85 Cb 0.47 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.25 1ttf n SER 85 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ttf s LYS 86 N 0.00 1.39 0.83 4.33 2.20 -1.26 -5.03 119.74 122.20 1ttf s LYS 86 Ca 0.00 -0.21 -0.12 0.00 -0.36 0.00 0.00 55.97 55.28 1ttf s LYS 86 Cb 0.00 -1.46 0.10 0.00 -1.51 0.00 0.00 37.83 34.96 1ttf s LYS 86 CO 0.00 -0.24 1.18 -1.25 -0.36 0.00 0.00 175.35 174.68 1ttf s PRO 87 N 1.63 1.52 -0.06 4.03 0.04 -1.26 -4.79 135.00 136.11 1ttf s PRO 87 Ca 0.03 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1ttf s PRO 87 Cb -0.13 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1ttf s PRO 87 CO -0.07 -2.29 0.16 -1.50 0.04 0.00 0.00 177.00 173.35 1ttf s ILE 88 N -2.31 -0.00 0.19 0.56 2.07 -1.10 -5.03 121.20 115.58 1ttf s ILE 88 Ca 0.71 0.01 0.06 0.00 -1.41 0.00 0.00 60.65 60.02 1ttf s ILE 88 Cb -0.27 -0.23 -0.05 0.00 0.13 0.00 0.00 42.46 42.05 1ttf s ILE 88 CO 0.52 0.00 -0.12 -0.94 -1.91 0.00 0.00 174.94 172.50 1ttf s SER 89 N 0.13 2.28 -0.06 4.50 1.04 -1.26 -1.98 113.70 118.34 1ttf s SER 89 Ca -0.00 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.34 1ttf s SER 89 Cb -0.01 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1ttf s SER 89 CO -0.00 -0.25 0.17 0.27 0.98 0.00 0.00 173.24 174.41 1ttf s ILE 90 N -3.12 -0.00 -0.33 -1.02 -4.36 -0.97 -5.00 121.20 106.40 1ttf s ILE 90 Ca 0.21 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 60.54 1ttf s ILE 90 Cb 0.01 -0.25 0.04 0.00 1.25 0.00 0.00 42.46 43.51 1ttf s ILE 90 CO 0.05 0.00 0.10 0.54 0.24 0.00 0.00 174.94 175.87 1ttf s ASN 91 N 0.13 5.27 -0.04 4.36 4.22 -1.26 -2.61 114.94 125.00 1ttf s ASN 91 Ca -0.00 -1.08 -0.04 0.00 -2.14 0.00 0.00 52.86 49.60 1ttf s ASN 91 Cb -0.02 -1.86 0.01 0.00 1.28 0.00 0.00 41.25 40.66 1ttf s ASN 91 CO -0.00 -0.30 0.11 -0.47 -2.04 0.00 0.00 177.10 174.40 1ttf s TYR 92 N 1.41 -0.12 -0.36 1.54 5.04 -0.89 -4.99 117.35 118.97 1ttf s TYR 92 Ca -0.01 0.31 -0.29 0.00 -2.44 0.00 0.00 57.07 54.64 1ttf s TYR 92 Cb -0.19 0.02 -0.00 0.00 0.35 0.00 0.00 41.96 42.14 1ttf s TYR 92 CO 0.03 -0.07 1.56 1.03 -1.34 0.00 0.00 175.55 176.75 1ttf s ARG 93 N 0.19 3.52 0.00 4.97 0.52 -1.26 -2.43 118.95 124.46 1ttf s ARG 93 Ca -0.01 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 1ttf s ARG 93 Cb -0.02 -4.08 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1ttf s ARG 93 CO -0.01 -1.63 0.49 2.41 0.02 0.00 0.00 175.30 176.59