#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 -0.46 0.00 6.55 1.04 -1.26 -5.04 113.70 114.53 1ttf s SER 2 Ca 0.00 0.58 0.11 0.00 0.48 0.00 0.00 55.95 57.13 1ttf s SER 2 Cb 0.00 0.48 -0.08 0.00 0.10 0.00 0.00 66.02 66.52 1ttf s SER 2 CO 0.00 -0.38 0.55 0.47 0.98 0.00 0.00 173.24 174.86 1ttf n ASP 3 N 1.05 0.79 -4.77 7.02 8.00 -1.26 -4.86 116.55 122.52 1ttf n ASP 3 Ca -0.13 -0.90 -0.37 0.00 0.71 0.00 0.00 54.79 54.10 1ttf n ASP 3 Cb 0.57 0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 42.44 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ttf s VAL 4 N -1.89 5.17 0.00 2.53 1.01 -1.26 -4.80 120.40 121.16 1ttf s VAL 4 Ca 0.06 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1ttf s VAL 4 Cb 0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1ttf s VAL 4 CO 0.41 0.44 0.00 -2.65 0.00 0.00 0.00 175.10 173.30 1ttf n PRO 5 N 2.93 -0.07 -3.83 2.72 -0.02 -1.26 -5.00 135.00 130.47 1ttf n PRO 5 Ca -0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.31 1ttf n PRO 5 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 -1.44 1.71 -0.25 -0.52 1.70 -1.26 -5.08 118.95 113.82 1ttf s ARG 6 Ca 0.00 -1.04 -0.07 0.00 -0.47 0.00 0.00 55.73 54.15 1ttf s ARG 6 Cb 0.00 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.84 1ttf s ARG 6 CO 0.00 -0.80 0.66 -0.25 -1.08 0.00 0.00 175.30 173.83 1ttf n ASP 7 N -0.96 0.00 -3.46 -2.89 8.00 -1.26 -4.60 116.55 111.38 1ttf n ASP 7 Ca -0.06 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1ttf n ASP 7 Cb 0.60 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1ttf n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ttf n LEU 8 N 2.44 0.00 -3.64 0.64 7.99 -1.26 -4.86 117.00 118.31 1ttf n LEU 8 Ca 0.17 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 56.10 1ttf n LEU 8 Cb 0.01 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.25 1ttf n LEU 8 CO 0.24 -0.83 0.73 -0.70 -1.51 0.00 0.00 177.39 175.32 1ttf s GLU 9 N -0.90 0.45 0.13 3.23 2.56 -0.24 -4.96 118.70 118.97 1ttf s GLU 9 Ca 0.00 0.61 -0.18 0.00 0.00 0.00 0.00 54.97 55.40 1ttf s GLU 9 Cb 0.00 0.18 -0.07 0.00 2.00 0.00 0.00 34.13 36.24 1ttf s GLU 9 CO 0.00 -0.07 0.61 0.08 -0.56 0.00 0.00 175.26 175.32 1ttf s VAL 10 N 0.62 4.71 0.00 3.70 1.01 -1.26 -1.64 120.40 127.54 1ttf s VAL 10 Ca -0.01 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1ttf s VAL 10 Cb -0.05 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1ttf s VAL 10 CO -0.10 0.39 0.32 0.55 0.00 0.00 0.00 175.10 176.26 1ttf n VAL 11 N 1.23 0.08 0.00 2.92 3.14 -1.10 -4.96 118.33 119.65 1ttf n VAL 11 Ca -0.07 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1ttf n VAL 11 Cb 0.51 1.40 0.00 0.00 -1.06 0.00 0.00 33.84 34.69 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ttf n ALA 12 N -0.04 0.00 -3.22 1.55 0.00 -1.22 -5.00 120.51 112.58 1ttf n ALA 12 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1ttf n ALA 12 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.87 0.41 0.00 0.00 -1.26 -2.41 121.76 114.64 1ttf s ALA 13 Ca 0.00 1.09 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 1ttf s ALA 13 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 1ttf s ALA 13 CO 0.00 -1.56 0.65 0.95 0.00 0.00 0.00 175.76 175.80 1ttf s THR 14 N 2.73 4.83 -1.69 0.00 -4.23 0.13 -4.92 115.64 112.49 1ttf s THR 14 Ca 0.14 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1ttf s THR 14 Cb -0.13 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1ttf s THR 14 CO -0.24 -0.62 0.45 -2.65 -0.54 0.00 0.00 174.62 171.03 1ttf n PRO 15 N -2.01 0.00 -1.14 3.99 -0.01 -1.26 -1.76 135.00 132.81 1ttf n PRO 15 Ca -0.02 0.02 -0.02 0.00 -0.01 0.00 0.00 63.50 63.47 1ttf n PRO 15 Cb 0.56 -1.50 -0.03 0.00 -0.01 0.00 0.00 33.50 32.52 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 1ttf n THR 16 N -0.95 0.00 -3.64 3.45 -2.24 -1.26 -4.87 114.28 104.77 1ttf n THR 16 Ca 0.00 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.37 1ttf n THR 16 Cb 0.00 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.33 -0.05 -0.09 3.42 0.01 -0.72 -4.57 113.70 110.37 1ttf s SER 17 Ca 0.13 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1ttf s SER 17 Cb 0.15 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.44 1ttf s SER 17 CO -0.07 -0.05 -0.08 -0.22 0.41 0.00 0.00 173.24 173.24 1ttf s LEU 18 N -1.12 1.26 -0.30 2.44 0.20 0.77 0.22 118.68 122.15 1ttf s LEU 18 Ca 0.09 -0.25 -0.09 0.00 0.69 0.00 0.00 54.13 54.56 1ttf s LEU 18 Cb -0.01 -0.74 -0.01 0.00 -0.43 0.00 0.00 46.19 44.99 1ttf s LEU 18 CO -0.07 -0.08 0.14 -0.22 -0.29 0.00 0.00 176.35 175.84 1ttf s LEU 19 N 1.35 4.01 0.47 -0.68 2.96 -1.01 -1.17 118.68 124.61 1ttf s LEU 19 Ca -0.02 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1ttf s LEU 19 Cb -0.14 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1ttf s LEU 19 CO -0.04 -0.16 0.43 0.27 -1.32 0.00 0.00 176.35 175.53 1ttf s ILE 20 N 1.63 2.30 -0.27 6.68 -4.36 -0.98 -2.69 121.20 123.50 1ttf s ILE 20 Ca 0.05 -1.36 -0.24 0.00 -0.26 0.00 0.00 60.65 58.84 1ttf s ILE 20 Cb -0.17 -2.65 0.09 0.00 1.25 0.00 0.00 42.46 40.98 1ttf s ILE 20 CO 0.06 0.00 0.82 -0.94 0.24 0.00 0.00 174.94 175.12 1ttf s SER 21 N -4.23 -0.67 0.00 4.36 1.04 -0.65 -2.64 113.70 110.91 1ttf s SER 21 Ca 0.45 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1ttf s SER 21 Cb -0.03 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.37 1ttf s SER 21 CO 0.27 -0.22 0.00 -2.67 0.98 0.00 0.00 173.24 171.60 1ttf n TRP 22 N 2.69 0.00 -2.99 5.02 2.14 -0.96 -1.07 117.44 122.26 1ttf n TRP 22 Ca -0.14 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.28 1ttf n TRP 22 Cb 0.56 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 31.11 1ttf n TRP 22 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1ttf n ASP 23 N 0.00 1.55 -3.53 -0.67 2.03 -1.26 -4.82 116.55 109.84 1ttf n ASP 23 Ca 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 54.79 53.18 1ttf n ASP 23 Cb 0.00 -0.33 -0.04 0.00 -0.72 0.00 0.00 41.12 40.03 1ttf n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ttf s ALA 24 N -2.56 -2.35 1.14 -1.67 0.00 -1.26 -4.91 121.76 110.14 1ttf s ALA 24 Ca 0.46 2.21 -0.13 0.00 0.00 0.00 0.00 51.96 54.50 1ttf s ALA 24 Cb -0.04 -1.91 0.24 0.00 0.00 0.00 0.00 23.12 21.42 1ttf s ALA 24 CO 0.29 -0.94 0.87 -2.30 0.00 0.00 0.00 175.76 173.69 1ttf n PRO 25 N 5.23 -2.08 -0.89 0.00 -0.02 -1.26 -4.90 135.00 131.09 1ttf n PRO 25 Ca -0.11 -0.57 -0.06 0.00 -2.02 0.00 0.00 63.50 60.74 1ttf n PRO 25 Cb 0.51 -2.12 0.26 0.00 -0.02 0.00 0.00 33.50 32.13 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 -4.80 4.33 -2.08 3.55 0.00 -1.26 -4.92 120.51 115.33 1ttf n ALA 26 Ca 0.04 -1.99 -0.19 0.00 0.00 0.00 0.00 53.44 51.29 1ttf n ALA 26 Cb 0.55 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.79 1ttf n ALA 26 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ttf s VAL 27 N -2.62 2.56 -1.21 0.00 1.01 -1.26 -4.98 120.40 113.90 1ttf s VAL 27 Ca 0.47 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1ttf s VAL 27 Cb 0.38 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1ttf s VAL 27 CO 0.12 0.00 1.88 0.41 0.00 0.00 0.00 175.10 177.51 1ttf n THR 28 N -1.93 2.80 -2.61 3.92 -1.04 -1.26 -4.92 114.28 109.25 1ttf n THR 28 Ca 0.09 -2.84 -0.43 0.00 -2.04 0.00 0.00 64.05 58.83 1ttf n THR 28 Cb 0.61 -2.29 -0.02 0.00 -1.82 0.00 0.00 70.33 66.81 1ttf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ttf s VAL 29 N 7.26 4.41 0.07 12.58 1.01 -1.26 -3.62 120.40 140.85 1ttf s VAL 29 Ca 0.60 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 1ttf s VAL 29 Cb 0.04 -4.44 -0.16 0.00 0.00 0.00 0.00 36.38 31.83 1ttf s VAL 29 CO 0.10 -0.60 1.48 -0.09 0.00 0.00 0.00 175.10 175.99 1ttf h ARG 30 N 8.45 -0.90 -2.83 2.72 9.65 -1.60 -3.42 114.38 126.45 1ttf h ARG 30 Ca -0.22 0.06 0.09 0.00 -1.10 0.00 0.00 59.98 58.82 1ttf h ARG 30 Cb 1.06 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 29.79 1ttf h ARG 30 CO 1.05 -0.60 0.30 1.52 2.80 0.00 0.00 179.97 185.04 1ttf s TYR 31 N -5.47 -0.19 0.25 2.20 -0.85 -1.07 -4.47 117.35 107.74 1ttf s TYR 31 Ca -0.16 -0.21 0.11 0.00 -0.52 0.00 0.00 57.07 56.29 1ttf s TYR 31 Cb 0.03 0.68 -0.05 0.00 0.38 0.00 0.00 41.96 43.01 1ttf s TYR 31 CO 0.52 -1.11 -0.12 0.71 -1.52 0.00 0.00 175.55 174.03 1ttf s TYR 32 N -3.74 2.50 -0.15 -3.49 1.51 -0.47 -2.59 117.35 110.92 1ttf s TYR 32 Ca 0.11 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1ttf s TYR 32 Cb -0.05 -1.13 0.05 0.00 -0.11 0.00 0.00 41.96 40.73 1ttf s TYR 32 CO 0.05 0.62 0.07 1.03 -1.11 0.00 0.00 175.55 176.21 1ttf s ARG 33 N -3.35 0.20 -0.21 -0.62 0.52 -0.96 -1.88 118.95 112.64 1ttf s ARG 33 Ca 0.28 -0.07 -0.09 0.00 -0.52 0.00 0.00 55.73 55.34 1ttf s ARG 33 Cb -0.07 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 1ttf s ARG 33 CO 0.16 -0.59 0.10 0.42 0.02 0.00 0.00 175.30 175.42 1ttf s ILE 34 N 2.08 5.02 -0.02 1.52 1.01 -0.76 -1.68 121.20 128.36 1ttf s ILE 34 Ca 0.02 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1ttf s ILE 34 Cb -0.15 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1ttf s ILE 34 CO -0.08 0.41 -0.14 0.42 0.00 0.00 0.00 174.94 175.55 1ttf s THR 35 N 0.71 1.13 0.04 2.92 -4.23 -0.85 -1.43 115.64 113.94 1ttf s THR 35 Ca 0.06 -0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1ttf s THR 35 Cb -0.13 -0.97 -0.00 0.00 1.34 0.00 0.00 72.50 72.74 1ttf s THR 35 CO 0.02 0.33 0.16 -0.72 -0.54 0.00 0.00 174.62 173.86 1ttf s TYR 36 N -0.09 0.11 -0.29 3.99 1.13 -0.91 -1.78 117.35 119.51 1ttf s TYR 36 Ca 0.01 -0.37 -0.24 0.00 -1.41 0.00 0.00 57.07 55.06 1ttf s TYR 36 Cb -0.08 -0.07 0.18 0.00 -1.10 0.00 0.00 41.96 40.88 1ttf s TYR 36 CO 0.00 -0.41 1.33 0.20 -2.51 0.00 0.00 175.55 174.17 1ttf s GLY 37 N -2.12 0.28 0.49 5.49 0.00 -1.06 -2.64 107.32 107.76 1ttf s GLY 37 Ca -0.05 3.39 -0.23 0.00 0.00 0.00 0.00 44.72 47.83 1ttf s GLY 37 CO -0.04 2.04 1.30 -1.83 0.00 0.00 0.00 173.10 174.56 1ttf s GLU 38 N 0.23 3.50 0.69 2.90 1.03 -1.26 -2.54 118.70 123.26 1ttf s GLU 38 Ca 0.04 2.10 -0.11 0.00 0.03 0.00 0.00 54.97 57.03 1ttf s GLU 38 Cb -0.05 -2.42 0.01 0.00 -0.80 0.00 0.00 34.13 30.87 1ttf s GLU 38 CO -0.13 -0.85 1.06 0.99 -1.33 0.00 0.00 175.26 174.99 1ttf s THR 39 N -1.36 4.06 0.00 1.83 2.01 -1.26 -3.71 115.64 117.21 1ttf s THR 39 Ca 0.66 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1ttf s THR 39 Cb -0.37 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1ttf s THR 39 CO 0.45 -0.87 0.00 0.61 -0.69 0.00 0.00 174.62 174.11 1ttf n GLY 40 N -2.04 1.78 3.68 4.40 0.00 -1.26 -4.96 105.19 106.78 1ttf n GLY 40 Ca 0.07 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.19 2.01 0.00 -0.02 0.00 -1.24 -4.87 107.32 103.01 1ttf s GLY 41 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1ttf s GLY 41 CO 0.00 2.21 0.44 0.70 0.00 0.00 0.00 173.10 176.45 1ttf n ASN 42 N 5.58 0.70 -3.60 1.64 3.02 -1.26 -4.20 115.26 117.14 1ttf n ASN 42 Ca 0.11 -1.59 -0.28 0.00 -0.03 0.00 0.00 54.58 52.80 1ttf n ASN 42 Cb 0.46 -0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ttf s SER 43 N -0.32 2.87 0.66 6.41 0.15 -1.26 -5.12 113.70 117.09 1ttf s SER 43 Ca 0.00 -3.27 -0.18 0.00 0.70 0.00 0.00 55.95 53.21 1ttf s SER 43 Cb 0.00 -0.91 -0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1ttf s SER 43 CO 0.00 -0.15 1.27 -2.84 1.20 0.00 0.00 173.24 172.72 1ttf s PRO 44 N -0.40 2.50 0.00 5.44 0.02 -1.26 -4.83 135.00 136.46 1ttf s PRO 44 Ca 0.28 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1ttf s PRO 44 Cb -0.03 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1ttf s PRO 44 CO -0.16 -1.62 0.44 0.28 -0.33 0.00 0.00 177.00 175.61 1ttf n VAL 45 N -2.04 0.00 -1.72 3.83 0.31 -1.08 -4.96 118.33 112.67 1ttf n VAL 45 Ca 0.15 0.94 0.00 0.00 -0.01 0.00 0.00 64.34 65.42 1ttf n VAL 45 Cb 0.49 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.50 0.00 -3.56 5.55 -0.06 -1.10 -5.05 117.38 112.65 1ttf n GLN 46 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 1ttf n GLN 46 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 1ttf s GLU 47 N 1.86 0.67 0.09 3.69 -1.05 -1.26 -2.14 118.70 120.56 1ttf s GLU 47 Ca 0.00 -0.27 -0.24 0.00 -0.15 0.00 0.00 54.97 54.30 1ttf s GLU 47 Cb 0.00 0.29 0.06 0.00 -0.44 0.00 0.00 34.13 34.05 1ttf s GLU 47 CO 0.00 -0.30 0.59 -0.59 0.95 0.00 0.00 175.26 175.92 1ttf s PHE 48 N -2.87 -0.53 0.21 4.83 -0.71 -0.51 -5.00 117.98 113.39 1ttf s PHE 48 Ca 0.08 0.53 0.05 0.00 -1.04 0.00 0.00 56.93 56.54 1ttf s PHE 48 Cb -0.01 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1ttf s PHE 48 CO -0.06 -0.75 0.28 0.95 -1.34 0.00 0.00 175.22 174.31 1ttf s THR 49 N -2.89 5.05 -0.28 -4.49 -4.23 -1.26 -1.83 115.64 105.70 1ttf s THR 49 Ca -0.03 -0.99 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 1ttf s THR 49 Cb -0.01 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.27 1ttf s THR 49 CO -0.05 -0.24 0.89 0.54 -0.54 0.00 0.00 174.62 175.22 1ttf s VAL 50 N -1.91 0.00 0.06 2.29 0.11 -0.79 -4.99 120.40 115.17 1ttf s VAL 50 Ca 0.34 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 59.05 1ttf s VAL 50 Cb -0.09 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.63 1ttf s VAL 50 CO 0.27 0.00 1.76 -2.65 -3.33 0.00 0.00 175.10 171.16 1ttf n PRO 51 N 3.29 2.35 0.00 1.54 -0.02 -1.26 -1.36 135.00 139.53 1ttf n PRO 51 Ca -0.17 0.85 0.01 0.00 -2.02 0.00 0.00 63.50 62.18 1ttf n PRO 51 Cb 0.57 -2.69 0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttf n GLY 52 N 4.01 -0.05 0.33 -1.23 0.00 -1.26 -2.39 105.19 104.60 1ttf n GLY 52 Ca 0.19 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 0.60 -3.82 1.61 0.87 -1.87 -3.38 113.55 107.57 1ttf h SER 53 Ca 0.00 -0.01 -0.63 0.00 -1.23 0.00 0.00 61.79 59.91 1ttf h SER 53 Cb 0.00 -0.15 -0.16 0.00 -0.44 0.00 0.00 62.40 61.65 1ttf h SER 53 CO 0.00 0.43 -0.41 -0.54 -0.53 0.00 0.00 176.83 175.77 1ttf s LYS 54 N -5.62 3.98 0.00 2.24 -0.14 -1.00 -4.94 119.74 114.27 1ttf s LYS 54 Ca -0.09 -0.18 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 1ttf s LYS 54 Cb 0.18 -3.65 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 1ttf s LYS 54 CO 0.75 -0.20 0.55 0.43 -0.76 0.00 0.00 175.35 176.12 1ttf n SER 55 N 5.12 1.22 -3.89 2.83 7.64 -1.26 -4.75 113.62 120.53 1ttf n SER 55 Ca -0.12 -1.96 -0.11 0.00 1.01 0.00 0.00 58.87 57.69 1ttf n SER 55 Cb 0.52 -0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.87 0.08 -0.03 0.44 -4.23 -1.26 -2.26 115.64 107.50 1ttf s THR 56 Ca 0.00 -0.69 -0.24 0.00 -1.18 0.00 0.00 61.69 59.58 1ttf s THR 56 Cb 0.00 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.51 1ttf s THR 56 CO 0.00 -0.38 0.52 0.00 -0.54 0.00 0.00 174.62 174.23 1ttf s ALA 57 N -1.31 -1.35 0.31 3.99 0.00 -1.08 -5.02 121.76 117.29 1ttf s ALA 57 Ca -0.14 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1ttf s ALA 57 Cb -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ttf s ALA 57 CO 0.01 -0.33 0.51 0.99 0.00 0.00 0.00 175.76 176.94 1ttf s THR 58 N -1.28 5.13 -0.09 0.00 2.01 -1.26 -2.31 115.64 117.83 1ttf s THR 58 Ca -0.12 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1ttf s THR 58 Cb -0.02 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.69 1ttf s THR 58 CO 0.07 -0.45 0.25 -0.63 -0.69 0.00 0.00 174.62 173.18 1ttf s ILE 59 N -2.18 -0.00 0.30 1.82 -1.09 -0.32 -4.93 121.20 114.79 1ttf s ILE 59 Ca 0.40 0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1ttf s ILE 59 Cb -0.10 -0.36 0.01 0.00 -1.58 0.00 0.00 42.46 40.43 1ttf s ILE 59 CO 0.33 0.01 0.43 -0.24 -1.23 0.00 0.00 174.94 174.24 1ttf n SER 60 N 3.07 -1.19 0.00 3.58 2.88 -1.26 -0.16 113.62 120.54 1ttf n SER 60 Ca -0.14 -2.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 1ttf n SER 60 Cb 0.58 2.20 0.00 0.00 -0.75 0.00 0.00 64.21 66.24 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ttf n GLY 61 N -0.48 1.02 0.00 0.46 0.00 -1.26 -5.01 105.19 99.92 1ttf n GLY 61 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.08 117.00 111.65 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1ttf n LEU 62 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 1ttf n LYS 63 N 0.00 0.00 -0.03 1.47 0.00 -1.26 -4.84 118.16 113.50 1ttf n LYS 63 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ttf n LYS 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ttf n LYS 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ttf n PRO 64 N -0.96 -0.31 -3.31 1.64 -0.05 -1.26 -5.02 135.00 125.73 1ttf n PRO 64 Ca 0.00 -0.03 -0.22 0.00 -0.05 0.00 0.00 63.50 63.20 1ttf n PRO 64 Cb 0.00 -0.02 -0.08 0.00 -0.05 0.00 0.00 33.50 33.34 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 -2.90 0.50 0.40 0.55 0.00 -1.26 -5.05 107.32 99.56 1ttf s GLY 65 Ca 0.01 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.06 1ttf s GLY 65 CO 0.01 2.48 0.13 0.54 0.00 0.00 0.00 173.10 176.26 1ttf s VAL 66 N 0.68 0.61 0.49 1.40 0.11 0.82 -4.86 120.40 119.65 1ttf s VAL 66 Ca 0.26 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 57.11 1ttf s VAL 66 Cb -0.06 -2.38 -0.12 0.00 -1.53 0.00 0.00 36.38 32.30 1ttf s VAL 66 CO -0.10 0.00 0.36 -0.67 -3.33 0.00 0.00 175.10 171.36 1ttf n ASP 67 N -1.27 -1.70 -3.47 3.54 -0.08 -1.26 -2.56 116.55 109.75 1ttf n ASP 67 Ca -0.05 0.78 -0.14 0.00 -1.51 0.00 0.00 54.79 53.87 1ttf n ASP 67 Cb 0.65 -1.06 -0.11 0.00 2.34 0.00 0.00 41.12 42.94 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 -1.69 -0.49 -0.03 -0.67 2.02 0.55 -4.32 117.35 112.71 1ttf s TYR 68 Ca 0.64 0.54 -0.21 0.00 -0.37 0.00 0.00 57.07 57.66 1ttf s TYR 68 Cb -0.53 -0.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1ttf s TYR 68 CO 0.59 -0.61 0.61 0.99 -1.57 0.00 0.00 175.55 175.56 1ttf s THR 69 N 2.42 4.97 -0.06 -0.71 2.01 -1.05 -1.42 115.64 121.80 1ttf s THR 69 Ca 0.08 1.27 0.03 0.00 0.31 0.00 0.00 61.69 63.39 1ttf s THR 69 Cb -0.15 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1ttf s THR 69 CO -0.13 0.36 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.51 1ttf s ILE 70 N 0.18 1.25 -0.13 1.82 2.07 -1.07 -2.57 121.20 122.76 1ttf s ILE 70 Ca 0.32 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 58.99 1ttf s ILE 70 Cb -0.18 -1.11 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1ttf s ILE 70 CO 0.17 0.38 -0.14 0.42 -1.91 0.00 0.00 174.94 173.85 1ttf s THR 71 N 0.41 1.51 -0.13 4.00 -4.23 -0.73 -2.47 115.64 113.99 1ttf s THR 71 Ca -0.11 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1ttf s THR 71 Cb -0.14 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 1ttf s THR 71 CO 0.03 0.45 -0.17 0.68 -0.54 0.00 0.00 174.62 175.07 1ttf s VAL 72 N 1.32 2.67 -0.09 2.29 -7.23 -0.80 -2.00 120.40 116.56 1ttf s VAL 72 Ca 0.01 -0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 59.35 1ttf s VAL 72 Cb -0.14 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1ttf s VAL 72 CO -0.07 0.53 0.07 -0.31 -0.31 0.00 0.00 175.10 175.01 1ttf s TYR 73 N 0.45 3.36 -0.51 2.82 1.51 -0.68 -2.68 117.35 121.62 1ttf s TYR 73 Ca -0.12 0.33 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1ttf s TYR 73 Cb -0.16 -1.84 0.13 0.00 -0.11 0.00 0.00 41.96 39.97 1ttf s TYR 73 CO 0.05 0.59 0.26 0.00 -1.11 0.00 0.00 175.55 175.35 1ttf s ALA 74 N -0.99 3.30 -0.21 3.71 0.00 -1.26 -2.28 121.76 124.03 1ttf s ALA 74 Ca 0.15 -3.19 -0.16 0.00 0.00 0.00 0.00 51.96 48.76 1ttf s ALA 74 Cb -0.12 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1ttf s ALA 74 CO 0.05 -1.99 0.43 0.08 0.00 0.00 0.00 175.76 174.32 1ttf s VAL 75 N -0.13 5.17 0.00 0.00 1.01 -1.07 -4.81 120.40 120.57 1ttf s VAL 75 Ca 0.16 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1ttf s VAL 75 Cb -0.24 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1ttf s VAL 75 CO -0.01 0.21 0.00 1.07 0.00 0.00 0.00 175.10 176.37 1ttf n THR 76 N 4.53 0.00 0.00 3.92 5.66 -1.26 -1.77 114.28 125.36 1ttf n THR 76 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1ttf n THR 76 Cb 0.51 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttf n GLY 77 N 5.00 1.60 0.15 1.09 0.00 -1.24 -4.31 105.19 107.48 1ttf n GLY 77 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 1ttf n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ttf h ARG 78 N 0.00 0.41 0.00 1.61 9.65 -1.87 -3.42 114.38 120.76 1ttf h ARG 78 Ca 0.00 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1ttf h ARG 78 Cb 0.00 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1ttf h ARG 78 CO 0.00 0.57 0.00 0.41 2.80 0.00 0.00 179.97 183.75 1ttf n GLY 79 N -0.37 0.36 0.00 2.80 0.00 -1.26 -5.03 105.19 101.69 1ttf n GLY 79 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 -4.83 1.61 5.75 -1.26 -5.12 116.55 112.70 1ttf n ASP 80 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 1ttf n ASP 80 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ttf s SER 81 N 0.00 6.57 0.52 -1.12 0.15 -1.26 -5.01 113.70 113.56 1ttf s SER 81 Ca 0.00 1.67 -0.22 0.00 0.70 0.00 0.00 55.95 58.10 1ttf s SER 81 Cb 0.00 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1ttf s SER 81 CO 0.00 -0.62 1.32 -2.16 1.20 0.00 0.00 173.24 172.98 1ttf s PRO 82 N -3.74 3.30 -0.22 5.44 0.04 -1.26 -4.77 135.00 133.79 1ttf s PRO 82 Ca 0.61 2.14 -0.01 0.00 0.04 0.00 0.00 61.00 63.78 1ttf s PRO 82 Cb -0.11 -2.31 0.07 0.00 0.04 0.00 0.00 34.50 32.18 1ttf s PRO 82 CO 0.26 -1.03 0.01 0.00 0.04 0.00 0.00 177.00 176.28 1ttf s ALA 83 N -1.35 1.44 -0.01 8.56 0.00 -1.26 -5.07 121.76 124.07 1ttf s ALA 83 Ca 0.69 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1ttf s ALA 83 Cb -0.38 -1.34 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1ttf s ALA 83 CO 0.45 -1.25 1.61 0.45 0.00 0.00 0.00 175.76 177.03 1ttf s SER 84 N 1.65 6.68 0.00 0.00 0.15 -1.26 -4.59 113.70 116.33 1ttf s SER 84 Ca -0.01 2.28 0.00 0.00 0.70 0.00 0.00 55.95 58.91 1ttf s SER 84 Cb -0.18 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1ttf s SER 84 CO -0.09 -0.88 0.00 -1.54 1.20 0.00 0.00 173.24 171.92 1ttf n SER 85 N 6.46 0.00 -3.31 5.45 3.41 -1.26 -5.12 113.62 119.25 1ttf n SER 85 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.67 1ttf n SER 85 Cb 0.42 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 3.87 0.65 1.35 4.33 -2.85 -1.26 -5.16 119.74 120.68 1ttf s LYS 86 Ca 0.00 -0.52 -0.22 0.00 -1.00 0.00 0.00 55.97 54.23 1ttf s LYS 86 Cb 0.00 -0.42 0.34 0.00 -2.06 0.00 0.00 37.83 35.68 1ttf s LYS 86 CO 0.00 -1.17 0.76 -2.30 0.10 0.00 0.00 175.35 172.74 1ttf n PRO 87 N 4.49 -4.12 -3.87 1.78 -0.02 -1.26 -4.89 135.00 127.11 1ttf n PRO 87 Ca 0.09 -1.28 -0.10 0.00 -2.02 0.00 0.00 63.50 60.19 1ttf n PRO 87 Cb 0.49 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 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 -2.07 0.11 -0.12 4.25 2.07 -1.09 -5.04 121.20 119.30 1ttf s ILE 88 Ca 0.59 -0.94 -0.29 0.00 -1.41 0.00 0.00 60.65 58.60 1ttf s ILE 88 Cb -0.10 -0.89 0.08 0.00 0.13 0.00 0.00 42.46 41.68 1ttf s ILE 88 CO 0.49 -0.52 0.74 -0.44 -1.91 0.00 0.00 174.94 173.31 1ttf s SER 89 N -2.07 -0.64 0.16 4.50 0.01 -1.26 -1.90 113.70 112.51 1ttf s SER 89 Ca -0.05 0.86 -0.12 0.00 1.31 0.00 0.00 55.95 57.95 1ttf s SER 89 Cb -0.01 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1ttf s SER 89 CO -0.04 -0.48 0.35 0.27 0.41 0.00 0.00 173.24 173.75 1ttf s ILE 90 N -0.75 0.06 -0.05 1.44 -4.36 -1.03 -5.02 121.20 111.48 1ttf s ILE 90 Ca -0.07 -1.16 -0.15 0.00 -0.26 0.00 0.00 60.65 59.01 1ttf s ILE 90 Cb -0.01 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 1ttf s ILE 90 CO 0.06 -0.28 0.39 0.21 0.24 0.00 0.00 174.94 175.56 1ttf s ASN 91 N -2.92 6.71 -0.02 4.36 2.47 -1.26 -2.60 114.94 121.67 1ttf s ASN 91 Ca 0.13 0.84 -0.01 0.00 0.42 0.00 0.00 52.86 54.24 1ttf s ASN 91 Cb 0.02 -2.24 0.02 0.00 -1.45 0.00 0.00 41.25 37.60 1ttf s ASN 91 CO -0.02 0.23 0.05 -0.47 -3.72 0.00 0.00 177.10 173.16 1ttf s TYR 92 N -0.49 -0.02 -0.48 0.43 6.14 -0.51 -5.00 117.35 117.41 1ttf s TYR 92 Ca 0.23 0.17 -0.23 0.00 0.64 0.00 0.00 57.07 57.87 1ttf s TYR 92 Cb -0.16 -0.13 0.03 0.00 0.42 0.00 0.00 41.96 42.13 1ttf s TYR 92 CO 0.11 -0.08 0.83 0.50 0.64 0.00 0.00 175.55 177.56 1ttf s ARG 93 N 0.72 3.38 0.00 4.97 3.52 -1.26 -0.33 118.95 129.95 1ttf s ARG 93 Ca -0.06 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1ttf s ARG 93 Cb -0.08 -3.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 1ttf s ARG 93 CO -0.02 -1.24 0.47 2.41 -0.81 0.00 0.00 175.30 176.11