#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 -5.67 0.00 4.52 3.41 -1.26 -4.96 113.62 109.66 1ttf n SER 2 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1ttf n SER 2 Cb 0.00 -2.16 0.00 0.00 -0.26 0.00 0.00 64.21 61.79 1ttf n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ttf n ASP 3 N -0.82 0.00 0.00 4.04 -0.08 -1.26 -5.02 116.55 113.41 1ttf n ASP 3 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1ttf n ASP 3 Cb 0.66 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1ttf n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ttf n VAL 4 N -2.49 0.00 0.00 5.18 0.31 -1.26 -5.05 118.33 115.02 1ttf n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ttf n VAL 4 Cb 0.00 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1ttf n VAL 4 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ttf n PRO 5 N -2.28 0.00 -3.88 5.55 -0.04 -1.26 -4.72 135.00 128.38 1ttf n PRO 5 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1ttf n PRO 5 Cb 0.35 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.82 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1ttf s ARG 6 N 0.87 0.93 -0.84 0.54 1.70 0.55 -4.96 118.95 117.74 1ttf s ARG 6 Ca 0.00 -0.59 -0.25 0.00 -0.47 0.00 0.00 55.73 54.42 1ttf s ARG 6 Cb 0.00 0.27 -0.19 0.00 -0.57 0.00 0.00 34.95 34.45 1ttf s ARG 6 CO 0.00 -0.43 2.49 -0.25 -1.08 0.00 0.00 175.30 176.03 1ttf n ASP 7 N -1.04 0.67 -4.52 -2.89 9.92 -1.26 -2.95 116.55 114.48 1ttf n ASP 7 Ca -0.02 -0.33 -0.58 0.00 -0.53 0.00 0.00 54.79 53.32 1ttf n ASP 7 Cb 0.60 -1.11 -0.08 0.00 -0.64 0.00 0.00 41.12 39.89 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ttf n LEU 8 N 11.98 0.26 -3.85 0.64 0.00 -1.25 -4.81 117.00 119.97 1ttf n LEU 8 Ca 0.56 1.16 0.02 0.00 0.00 0.00 0.00 56.01 57.75 1ttf n LEU 8 Cb 0.23 -0.95 0.01 0.00 0.00 0.00 0.00 43.42 42.71 1ttf n LEU 8 CO 0.86 -1.75 1.07 -0.70 0.00 0.00 0.00 177.39 176.87 1ttf s GLU 9 N 0.19 0.44 -0.32 1.96 -6.30 -0.40 -4.97 118.70 109.30 1ttf s GLU 9 Ca 0.91 -0.27 -0.15 0.00 -2.50 0.00 0.00 54.97 52.96 1ttf s GLU 9 Cb -1.24 0.13 -0.02 0.00 0.00 0.00 0.00 34.13 33.00 1ttf s GLU 9 CO 0.57 -0.20 0.36 0.08 0.02 0.00 0.00 175.26 176.09 1ttf s VAL 10 N -2.17 5.17 -1.88 3.70 1.01 -1.26 -2.10 120.40 122.88 1ttf s VAL 10 Ca 0.24 0.19 0.26 0.00 0.00 0.00 0.00 61.98 62.67 1ttf s VAL 10 Cb 0.01 -3.78 0.24 0.00 0.00 0.00 0.00 36.38 32.85 1ttf s VAL 10 CO -0.02 -0.02 1.49 0.52 0.00 0.00 0.00 175.10 177.07 1ttf n VAL 11 N 5.21 0.00 0.00 2.92 0.31 -0.88 -4.96 118.33 120.93 1ttf n VAL 11 Ca -0.09 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1ttf n VAL 11 Cb 0.50 0.58 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf n ALA 12 N -0.45 0.00 -3.49 3.52 0.00 -1.08 -4.95 120.51 114.07 1ttf n ALA 12 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1ttf n ALA 12 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.90 -1.31 0.05 0.00 0.00 -1.26 -1.73 121.76 115.61 1ttf s ALA 13 Ca 0.00 1.57 -0.12 0.00 0.00 0.00 0.00 51.96 53.41 1ttf s ALA 13 Cb 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.21 1ttf s ALA 13 CO 0.00 -0.26 0.26 0.95 0.00 0.00 0.00 175.76 176.71 1ttf s THR 14 N 0.58 0.09 -1.98 0.00 -4.23 0.94 -4.99 115.64 106.06 1ttf s THR 14 Ca -0.02 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1ttf s THR 14 Cb -0.05 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1ttf s THR 14 CO -0.03 -0.43 0.23 -0.81 -0.54 0.00 0.00 174.62 173.04 1ttf n PRO 15 N 0.56 0.00 -0.24 3.99 -0.04 -1.26 -1.45 135.00 136.56 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 0.59 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ttf n THR 16 N -0.72 0.00 -3.65 0.52 -2.24 -1.26 -4.46 114.28 102.47 1ttf n THR 16 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1ttf n THR 16 Cb 0.00 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 1ttf n THR 16 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ttf s SER 17 N -0.37 -0.06 -0.10 3.42 0.01 -0.53 -4.59 113.70 111.48 1ttf s SER 17 Ca 0.00 0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.37 1ttf s SER 17 Cb 0.00 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.40 1ttf s SER 17 CO 0.00 -0.02 -0.06 -0.22 0.41 0.00 0.00 173.24 173.35 1ttf s LEU 18 N 0.07 1.11 -0.41 2.44 0.20 0.63 -0.04 118.68 122.67 1ttf s LEU 18 Ca 0.07 -0.25 -0.09 0.00 0.69 0.00 0.00 54.13 54.55 1ttf s LEU 18 Cb -0.05 -0.74 0.08 0.00 -0.43 0.00 0.00 46.19 45.05 1ttf s LEU 18 CO -0.15 -0.12 0.24 -0.22 -0.29 0.00 0.00 176.35 175.81 1ttf s LEU 19 N 1.64 5.08 0.37 -0.68 0.20 -0.70 -1.38 118.68 123.21 1ttf s LEU 19 Ca 0.03 -1.50 0.08 0.00 0.69 0.00 0.00 54.13 53.42 1ttf s LEU 19 Cb -0.13 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1ttf s LEU 19 CO -0.06 -0.52 0.26 0.27 -0.29 0.00 0.00 176.35 176.01 1ttf s ILE 20 N 1.41 2.94 -0.01 6.68 -4.36 -1.04 -2.08 121.20 124.74 1ttf s ILE 20 Ca 0.03 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 1ttf s ILE 20 Cb -0.23 -3.04 0.01 0.00 1.25 0.00 0.00 42.46 40.45 1ttf s ILE 20 CO 0.02 -0.10 -0.01 -0.94 0.24 0.00 0.00 174.94 174.15 1ttf s SER 21 N -3.98 0.26 0.07 4.36 1.04 -0.89 -2.17 113.70 112.39 1ttf s SER 21 Ca 0.42 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1ttf s SER 21 Cb -0.03 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1ttf s SER 21 CO 0.25 -0.04 0.00 -2.67 0.98 0.00 0.00 173.24 171.77 1ttf n TRP 22 N 3.55 0.05 -4.28 5.02 2.14 -1.13 -1.27 117.44 121.51 1ttf n TRP 22 Ca -0.19 -0.36 -0.16 0.00 2.07 0.00 0.00 57.50 58.86 1ttf n TRP 22 Cb 0.55 -0.05 -0.10 0.00 -0.81 0.00 0.00 31.31 30.90 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 -1.41 1.00 0.36 -0.67 2.15 -1.15 -0.33 116.67 116.62 1ttf s ASP 23 Ca 0.00 -1.46 0.08 0.00 0.43 0.00 0.00 52.55 51.61 1ttf s ASP 23 Cb -0.00 0.32 -0.06 0.00 -0.30 0.00 0.00 42.92 42.88 1ttf s ASP 23 CO 0.00 -0.83 0.06 0.00 -0.17 0.00 0.00 175.17 174.23 1ttf s ALA 24 N -3.82 3.31 0.00 3.66 0.00 -1.26 -4.89 121.76 118.76 1ttf s ALA 24 Ca 0.38 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1ttf s ALA 24 Cb 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1ttf s ALA 24 CO 0.15 -0.01 0.00 -0.35 0.00 0.00 0.00 175.76 175.55 1ttf n PRO 25 N -1.04 0.00 0.00 0.00 -0.04 -1.26 -4.65 135.00 128.01 1ttf n PRO 25 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1ttf n PRO 25 Cb 0.63 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 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 0.64 -1.00 0.55 0.00 -1.26 -2.57 120.51 113.87 1ttf n ALA 26 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ttf n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ttf n ALA 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ttf n VAL 27 N -0.86 0.00 -0.96 0.00 3.14 -1.26 -3.50 118.33 114.89 1ttf n VAL 27 Ca 0.00 -0.01 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1ttf n VAL 27 Cb 0.00 -1.08 0.22 0.00 -1.06 0.00 0.00 33.84 31.92 1ttf n VAL 27 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ttf n THR 28 N -2.49 0.00 -3.88 1.55 -2.24 -1.26 -4.93 114.28 101.03 1ttf n THR 28 Ca 0.00 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 1ttf n THR 28 Cb 0.01 -1.20 -0.13 0.00 -2.10 0.00 0.00 70.33 66.91 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 -2.69 0.02 -0.04 2.28 1.01 -1.26 -4.78 120.40 114.94 1ttf s VAL 29 Ca 0.61 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 1ttf s VAL 29 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1ttf s VAL 29 CO 0.47 -0.10 0.19 0.03 0.00 0.00 0.00 175.10 175.68 1ttf h ARG 30 N 5.76 -0.10 -5.83 2.72 2.47 -0.65 -3.46 114.38 115.29 1ttf h ARG 30 Ca -0.26 0.01 -0.51 0.00 -1.26 0.00 0.00 59.98 57.96 1ttf h ARG 30 Cb 1.21 0.02 -0.16 0.00 -1.65 0.00 0.00 29.97 29.39 1ttf h ARG 30 CO 0.47 -0.06 -0.76 0.71 0.56 0.00 0.00 179.97 180.89 1ttf s TYR 31 N -1.75 1.87 -0.15 3.04 2.02 -0.93 -3.88 117.35 117.57 1ttf s TYR 31 Ca -0.01 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1ttf s TYR 31 Cb 0.00 -0.88 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 1ttf s TYR 31 CO 0.04 0.42 -0.15 0.71 -1.57 0.00 0.00 175.55 175.00 1ttf s TYR 32 N -2.54 2.79 -0.50 2.71 1.51 0.39 -2.55 117.35 119.15 1ttf s TYR 32 Ca 0.21 -1.02 -0.09 0.00 -1.01 0.00 0.00 57.07 55.16 1ttf s TYR 32 Cb -0.03 -1.89 0.13 0.00 -0.11 0.00 0.00 41.96 40.05 1ttf s TYR 32 CO 0.08 -0.47 0.37 1.03 -1.11 0.00 0.00 175.55 175.46 1ttf s ARG 33 N 0.81 2.55 -0.10 -0.62 3.00 -1.04 -1.71 118.95 121.84 1ttf s ARG 33 Ca -0.05 -1.83 -0.13 0.00 0.00 0.00 0.00 55.73 53.73 1ttf s ARG 33 Cb -0.15 -3.96 -0.05 0.00 0.00 0.00 0.00 34.95 30.79 1ttf s ARG 33 CO 0.00 -1.21 0.29 0.42 0.00 0.00 0.00 175.30 174.81 1ttf s ILE 34 N 1.26 5.27 -0.00 1.52 1.09 -0.88 -1.72 121.20 127.74 1ttf s ILE 34 Ca 0.07 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 60.18 1ttf s ILE 34 Cb -0.26 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 1ttf s ILE 34 CO -0.01 0.50 -0.01 0.42 -0.10 0.00 0.00 174.94 175.74 1ttf s THR 35 N -0.36 0.10 0.04 2.92 -4.23 -0.38 -1.61 115.64 112.13 1ttf s THR 35 Ca 0.18 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1ttf s THR 35 Cb -0.14 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 1ttf s THR 35 CO 0.07 0.04 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.43 1ttf s TYR 36 N 0.15 0.50 0.00 3.99 1.13 -0.79 -1.54 117.35 120.79 1ttf s TYR 36 Ca -0.01 -0.71 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 1ttf s TYR 36 Cb -0.03 -0.33 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1ttf s TYR 36 CO -0.00 -0.21 0.00 0.41 -2.51 0.00 0.00 175.55 173.24 1ttf n GLY 37 N 0.99 2.27 3.59 5.49 0.00 -0.99 -2.83 105.19 113.72 1ttf n GLY 37 Ca -0.20 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1ttf n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ttf n GLU 38 N -0.41 0.26 -2.28 1.61 4.71 -1.26 -2.35 120.64 120.92 1ttf n GLU 38 Ca 0.00 0.15 -0.33 0.00 -0.01 0.00 0.00 57.16 56.97 1ttf n GLU 38 Cb 0.00 -2.19 -0.01 0.00 -1.01 0.00 0.00 31.44 28.23 1ttf n GLU 38 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ttf s THR 39 N -2.01 3.89 -0.37 2.62 2.01 -1.11 -4.42 115.64 116.24 1ttf s THR 39 Ca 0.70 1.00 -0.14 0.00 0.31 0.00 0.00 61.69 63.56 1ttf s THR 39 Cb -0.31 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1ttf s THR 39 CO 0.54 -0.42 0.41 0.61 -0.69 0.00 0.00 174.62 175.06 1ttf n GLY 40 N -0.77 -1.85 3.20 4.40 0.00 -1.26 -5.04 105.19 103.86 1ttf n GLY 40 Ca 0.09 0.96 0.04 0.00 0.00 0.00 0.00 46.02 47.10 1ttf n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ttf s GLY 41 N -2.09 0.25 0.00 -0.02 0.00 -1.26 -5.00 107.32 99.20 1ttf s GLY 41 Ca 0.18 3.62 0.00 0.00 0.00 0.00 0.00 44.72 48.52 1ttf s GLY 41 CO 0.74 3.38 1.05 -2.01 0.00 0.00 0.00 173.10 176.26 1ttf n ASN 42 N 4.58 3.06 -2.98 1.64 2.85 -1.26 -4.05 115.26 119.10 1ttf n ASN 42 Ca -0.07 -1.88 -0.16 0.00 -0.11 0.00 0.00 54.58 52.36 1ttf n ASN 42 Cb 0.55 -0.55 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ttf n SER 43 N 0.72 -1.42 -4.72 1.20 2.88 -1.26 -5.13 113.62 105.88 1ttf n SER 43 Ca 0.00 -2.96 -0.36 0.00 -1.33 0.00 0.00 58.87 54.22 1ttf n SER 43 Cb 0.45 0.59 0.08 0.00 -0.75 0.00 0.00 64.21 64.59 1ttf n SER 43 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1ttf s PRO 44 N -0.17 2.30 0.00 -1.46 0.02 -1.26 -4.90 135.00 129.53 1ttf s PRO 44 Ca 0.33 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1ttf s PRO 44 Cb 0.18 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.87 1ttf s PRO 44 CO -0.17 -1.75 0.52 0.28 -0.33 0.00 0.00 177.00 175.55 1ttf n VAL 45 N -2.35 0.00 -3.50 3.83 0.31 -1.13 -5.01 118.33 110.48 1ttf n VAL 45 Ca 0.15 0.97 0.00 0.00 -0.01 0.00 0.00 64.34 65.44 1ttf n VAL 45 Cb 0.49 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1ttf n VAL 45 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ttf n GLN 46 N -0.84 0.00 -3.85 5.55 7.27 -1.13 -5.05 117.38 119.33 1ttf n GLN 46 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1ttf n GLN 46 Cb 0.00 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.67 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1ttf s GLU 47 N -1.47 1.51 -0.18 3.69 -1.05 -1.26 -1.88 118.70 118.05 1ttf s GLU 47 Ca 0.00 -0.96 -0.32 0.00 -0.15 0.00 0.00 54.97 53.54 1ttf s GLU 47 Cb 0.00 0.43 0.14 0.00 -0.44 0.00 0.00 34.13 34.27 1ttf s GLU 47 CO 0.00 -0.71 1.16 -0.59 0.95 0.00 0.00 175.26 176.07 1ttf s PHE 48 N -2.36 -0.19 0.24 4.83 -0.12 -0.63 -5.01 117.98 114.75 1ttf s PHE 48 Ca 0.19 0.21 0.06 0.00 -0.05 0.00 0.00 56.93 57.34 1ttf s PHE 48 Cb -0.03 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1ttf s PHE 48 CO 0.06 -0.24 0.24 0.95 -0.05 0.00 0.00 175.22 176.18 1ttf s THR 49 N -1.92 4.69 0.04 -4.49 -4.23 -1.26 -2.07 115.64 106.39 1ttf s THR 49 Ca 0.06 -1.25 -0.16 0.00 -1.18 0.00 0.00 61.69 59.16 1ttf s THR 49 Cb -0.01 -3.52 0.03 0.00 1.34 0.00 0.00 72.50 70.34 1ttf s THR 49 CO -0.04 -0.32 0.37 0.68 -0.54 0.00 0.00 174.62 174.77 1ttf s VAL 50 N -2.05 0.07 -1.71 2.29 -7.23 -0.69 -4.94 120.40 106.13 1ttf s VAL 50 Ca 0.33 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 1ttf s VAL 50 Cb -0.08 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1ttf s VAL 50 CO 0.26 -0.30 0.19 -0.81 -0.31 0.00 0.00 175.10 174.13 1ttf n PRO 51 N 0.55 0.22 -1.84 4.82 -0.04 -1.26 -0.46 135.00 136.99 1ttf n PRO 51 Ca -0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 1ttf n PRO 51 Cb 0.60 -1.03 -0.06 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.08 1.17 0.09 0.55 0.00 -1.25 -4.64 105.19 101.03 1ttf n GLY 52 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.22 -3.42 1.61 0.87 -1.88 -3.45 113.55 107.50 1ttf h SER 53 Ca -0.43 -0.94 -0.55 0.00 -1.23 0.00 0.00 61.79 58.64 1ttf h SER 53 Cb 1.33 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 1ttf h SER 53 CO 0.59 1.24 0.17 -0.54 -0.53 0.00 0.00 176.83 177.77 1ttf s LYS 54 N -2.34 4.50 0.00 2.24 1.02 -1.26 -4.93 119.74 118.97 1ttf s LYS 54 Ca -0.17 1.07 0.29 0.00 0.02 0.00 0.00 55.97 57.18 1ttf s LYS 54 Cb -0.00 -3.39 1.31 0.00 -0.52 0.00 0.00 37.83 35.23 1ttf s LYS 54 CO 0.75 0.20 1.95 0.43 -0.92 0.00 0.00 175.35 177.76 1ttf n SER 55 N 3.11 0.05 -2.25 2.83 7.64 -1.26 -4.87 113.62 118.86 1ttf n SER 55 Ca -0.01 0.17 -0.10 0.00 1.01 0.00 0.00 58.87 59.94 1ttf n SER 55 Cb 0.50 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1ttf n SER 55 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ttf n THR 56 N -1.39 0.00 -3.58 0.44 -2.24 -1.26 -2.82 114.28 103.43 1ttf n THR 56 Ca 0.10 -1.03 -0.13 0.00 -2.27 0.00 0.00 64.05 60.72 1ttf n THR 56 Cb 0.30 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.52 -1.86 -0.34 6.98 0.00 -0.92 -5.00 121.76 118.10 1ttf s ALA 57 Ca 0.13 1.64 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1ttf s ALA 57 Cb 0.01 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.45 1ttf s ALA 57 CO 0.09 -0.32 0.13 0.99 0.00 0.00 0.00 175.76 176.65 1ttf s THR 58 N -0.58 4.02 -0.00 0.00 2.01 -1.26 -2.49 115.64 117.33 1ttf s THR 58 Ca -0.04 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1ttf s THR 58 Cb -0.02 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1ttf s THR 58 CO 0.03 -0.16 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.14 1ttf s ILE 59 N 1.46 3.97 -0.22 1.82 1.01 -0.48 -4.98 121.20 123.78 1ttf s ILE 59 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1ttf s ILE 59 Cb -0.19 -2.75 0.11 0.00 0.01 0.00 0.00 42.46 39.64 1ttf s ILE 59 CO 0.04 0.39 0.30 -0.44 0.00 0.00 0.00 174.94 175.22 1ttf s SER 60 N -1.50 0.79 0.00 3.58 0.01 -1.26 -0.27 113.70 115.05 1ttf s SER 60 Ca 0.19 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1ttf s SER 60 Cb -0.11 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1ttf s SER 60 CO 0.09 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ttf n GLY 61 N 5.34 0.00 0.00 3.44 0.00 -1.26 -5.01 105.19 107.70 1ttf n GLY 61 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.99 -0.00 -1.26 -5.01 117.00 111.72 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 -0.62 0.00 1.17 -0.00 0.00 0.00 177.39 177.94 1ttf n LYS 63 N -0.65 0.00 -0.06 1.47 4.81 -1.26 -4.84 118.16 117.63 1ttf n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ttf n LYS 63 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -1.02 0.15 -3.21 1.64 -0.05 -1.26 -4.95 135.00 126.31 1ttf n PRO 64 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 63.50 63.28 1ttf n PRO 64 Cb 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.39 1ttf n PRO 64 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1ttf s GLY 65 N -2.78 0.10 0.14 0.55 0.00 -1.26 -5.01 107.32 99.06 1ttf s GLY 65 Ca 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.35 1ttf s GLY 65 CO 0.00 2.76 0.14 1.55 0.00 0.00 0.00 173.10 177.55 1ttf n VAL 66 N 3.36 0.00 -1.54 1.40 3.14 0.57 -4.87 118.33 120.38 1ttf n VAL 66 Ca 0.20 -0.89 -0.36 0.00 -2.96 0.00 0.00 64.34 60.33 1ttf n VAL 66 Cb 0.49 0.47 -0.05 0.00 -1.06 0.00 0.00 33.84 33.69 1ttf n VAL 66 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ttf n ASP 67 N -2.30 1.97 -4.61 6.55 -0.08 -1.26 -2.48 116.55 114.34 1ttf n ASP 67 Ca 0.02 -0.44 -0.38 0.00 -1.51 0.00 0.00 54.79 52.48 1ttf n ASP 67 Cb 0.24 -1.48 -0.10 0.00 2.34 0.00 0.00 41.12 42.12 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 11.80 3.25 -0.22 -0.67 1.51 0.13 -2.75 117.35 130.40 1ttf s TYR 68 Ca 1.04 0.29 -0.15 0.00 -1.01 0.00 0.00 57.07 57.24 1ttf s TYR 68 Cb -0.34 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 1ttf s TYR 68 CO 0.29 -0.16 0.34 0.99 -1.11 0.00 0.00 175.55 175.91 1ttf s THR 69 N 1.80 5.23 0.22 -0.71 2.01 -0.99 -1.96 115.64 121.24 1ttf s THR 69 Ca 0.11 0.58 0.09 0.00 0.31 0.00 0.00 61.69 62.78 1ttf s THR 69 Cb -0.16 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1ttf s THR 69 CO 0.10 0.26 -0.00 -0.51 -0.69 0.00 0.00 174.62 173.77 1ttf s ILE 70 N 1.37 3.56 -0.21 1.82 2.07 -0.98 -2.34 121.20 126.49 1ttf s ILE 70 Ca 0.16 -1.68 -0.16 0.00 -1.41 0.00 0.00 60.65 57.56 1ttf s ILE 70 Cb -0.15 -2.85 0.06 0.00 0.13 0.00 0.00 42.46 39.66 1ttf s ILE 70 CO 0.07 -0.25 0.53 -0.89 -1.91 0.00 0.00 174.94 172.50 1ttf s THR 71 N -2.02 -0.01 -0.13 4.00 2.01 -0.59 -2.53 115.64 116.38 1ttf s THR 71 Ca 0.29 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 1ttf s THR 71 Cb -0.08 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.71 1ttf s THR 71 CO 0.19 0.01 -0.03 0.68 -0.69 0.00 0.00 174.62 174.78 1ttf s VAL 72 N 0.74 0.79 -0.40 3.82 -7.23 -1.04 -1.25 120.40 115.83 1ttf s VAL 72 Ca -0.04 -0.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.65 1ttf s VAL 72 Cb -0.05 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1ttf s VAL 72 CO -0.05 0.19 0.56 -0.31 -0.31 0.00 0.00 175.10 175.17 1ttf s TYR 73 N 1.79 3.13 -0.78 2.82 1.51 -0.70 -2.94 117.35 122.17 1ttf s TYR 73 Ca 0.03 -0.05 -0.23 0.00 -1.01 0.00 0.00 57.07 55.81 1ttf s TYR 73 Cb -0.14 -3.11 0.06 0.00 -0.11 0.00 0.00 41.96 38.67 1ttf s TYR 73 CO -0.07 -0.72 1.17 0.00 -1.11 0.00 0.00 175.55 174.81 1ttf s ALA 74 N 2.53 2.97 -0.14 3.71 0.00 -1.26 -2.48 121.76 127.08 1ttf s ALA 74 Ca 0.19 -1.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.08 1ttf s ALA 74 Cb -0.15 -4.12 -0.04 0.00 0.00 0.00 0.00 23.12 18.80 1ttf s ALA 74 CO 0.16 -3.10 0.40 0.08 0.00 0.00 0.00 175.76 173.29 1ttf s VAL 75 N 4.52 5.23 0.00 0.00 1.01 -1.06 -4.54 120.40 125.57 1ttf s VAL 75 Ca 0.32 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1ttf s VAL 75 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ttf s VAL 75 CO 0.05 0.34 0.00 0.35 0.00 0.00 0.00 175.10 175.84 1ttf n THR 76 N 3.72 0.00 0.00 3.92 -2.24 -1.26 -0.01 114.28 118.42 1ttf n THR 76 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ttf n THR 76 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.24 0.47 3.38 0.00 -1.26 -4.47 105.19 109.55 1ttf n GLY 77 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ttf n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttf n ARG 78 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.97 116.66 113.77 1ttf n ARG 78 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ttf n ARG 78 Cb 0.00 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttf n GLY 79 N 3.18 1.35 2.04 -0.13 0.00 -1.26 -5.04 105.19 105.33 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 1.22 0.00 0.00 0.00 173.32 174.54 1ttf n ASP 80 N 0.00 -0.93 -4.83 1.61 8.00 -1.26 -5.11 116.55 114.03 1ttf n ASP 80 Ca 0.00 0.58 -0.33 0.00 0.71 0.00 0.00 54.79 55.74 1ttf n ASP 80 Cb 0.00 1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 42.10 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ttf s SER 81 N -4.45 6.88 -0.29 -2.24 0.01 -1.26 -4.96 113.70 107.40 1ttf s SER 81 Ca 0.00 1.47 -0.28 0.00 1.31 0.00 0.00 55.95 58.45 1ttf s SER 81 Cb 0.00 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 1ttf s SER 81 CO 0.00 -0.24 2.19 -2.16 0.41 0.00 0.00 173.24 173.45 1ttf s PRO 82 N -2.93 2.94 -0.55 12.44 0.04 -1.26 -4.80 135.00 140.88 1ttf s PRO 82 Ca 0.56 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 63.15 1ttf s PRO 82 Cb -0.11 -4.39 0.04 0.00 0.04 0.00 0.00 34.50 30.08 1ttf s PRO 82 CO 0.16 -2.32 0.95 0.00 0.04 0.00 0.00 177.00 175.84 1ttf s ALA 83 N 8.90 3.16 0.00 8.56 0.00 -1.26 -4.98 121.76 136.14 1ttf s ALA 83 Ca 0.97 -1.22 -0.36 0.00 0.00 0.00 0.00 51.96 51.34 1ttf s ALA 83 Cb -0.28 -3.75 -0.15 0.00 0.00 0.00 0.00 23.12 18.94 1ttf s ALA 83 CO 0.33 -2.39 1.55 0.45 0.00 0.00 0.00 175.76 175.70 1ttf n SER 84 N 7.49 2.38 0.00 0.00 2.88 -1.26 -4.60 113.62 120.51 1ttf n SER 84 Ca 0.02 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1ttf n SER 84 Cb 0.47 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1ttf n SER 84 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ttf n SER 85 N 3.88 0.00 -3.40 -3.46 3.41 -1.26 -5.04 113.62 107.75 1ttf n SER 85 Ca 0.20 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.54 1ttf n SER 85 Cb 0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1ttf n SER 85 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ttf s LYS 86 N 1.49 0.78 1.04 4.33 -0.14 -1.26 -5.14 119.74 120.84 1ttf s LYS 86 Ca 0.00 -1.79 -0.12 0.00 -1.36 0.00 0.00 55.97 52.70 1ttf s LYS 86 Cb 0.00 -1.32 0.18 0.00 -1.68 0.00 0.00 37.83 35.00 1ttf s LYS 86 CO 0.00 -1.32 0.87 -2.30 -0.76 0.00 0.00 175.35 171.84 1ttf n PRO 87 N 3.29 -1.28 -4.16 -1.68 -0.02 -1.26 -4.80 135.00 125.08 1ttf n PRO 87 Ca 0.23 -0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.23 1ttf n PRO 87 Cb 0.44 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.63 1ttf n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ttf s ILE 88 N -2.48 0.57 -0.02 4.25 2.07 -1.15 -5.01 121.20 119.43 1ttf s ILE 88 Ca 0.65 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1ttf s ILE 88 Cb -0.22 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 41.83 1ttf s ILE 88 CO 0.63 -0.09 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.61 1ttf s SER 89 N -0.83 0.49 0.01 4.50 1.04 -1.26 -2.50 113.70 115.16 1ttf s SER 89 Ca -0.03 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 1ttf s SER 89 Cb -0.06 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 1ttf s SER 89 CO 0.00 -0.05 0.02 -0.63 0.98 0.00 0.00 173.24 173.57 1ttf s ILE 90 N 0.65 0.09 0.14 -1.02 1.01 -1.05 -5.05 121.20 115.97 1ttf s ILE 90 Ca -0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1ttf s ILE 90 Cb -0.10 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 1ttf s ILE 90 CO -0.01 -0.40 0.32 0.54 0.00 0.00 0.00 174.94 175.39 1ttf s ASN 91 N -1.22 6.39 -0.20 3.58 4.22 -1.26 -2.31 114.94 124.14 1ttf s ASN 91 Ca -0.13 0.35 -0.19 0.00 -2.14 0.00 0.00 52.86 50.74 1ttf s ASN 91 Cb -0.08 -1.99 0.05 0.00 1.28 0.00 0.00 41.25 40.51 1ttf s ASN 91 CO -0.00 0.05 0.55 -0.47 -2.04 0.00 0.00 177.10 175.19 1ttf s TYR 92 N -1.71 -0.59 -0.69 1.54 6.14 -0.83 -4.97 117.35 116.25 1ttf s TYR 92 Ca 0.37 1.43 -0.21 0.00 0.64 0.00 0.00 57.07 59.30 1ttf s TYR 92 Cb -0.12 0.21 0.09 0.00 0.42 0.00 0.00 41.96 42.56 1ttf s TYR 92 CO 0.28 -0.30 0.93 -0.98 0.64 0.00 0.00 175.55 176.11 1ttf s ARG 93 N 0.20 3.18 0.00 4.97 1.70 -1.26 0.17 118.95 127.91 1ttf s ARG 93 Ca -0.01 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 1ttf s ARG 93 Cb -0.04 -4.35 0.00 0.00 -0.57 0.00 0.00 34.95 29.99 1ttf s ARG 93 CO 0.01 -1.74 0.51 2.41 -1.08 0.00 0.00 175.30 175.41