#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 0.02 4.52 7.64 -1.26 -5.02 113.62 119.51 1ttf n SER 2 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1ttf n SER 2 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1ttf n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ttf n ASP 3 N -1.55 -0.16 -4.75 6.43 9.92 -1.26 -4.88 116.55 120.30 1ttf n ASP 3 Ca 0.00 0.07 -0.38 0.00 -0.53 0.00 0.00 54.79 53.94 1ttf n ASP 3 Cb 0.00 0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.73 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ttf s VAL 4 N -2.00 5.06 0.01 2.53 1.01 -1.26 -4.84 120.40 120.92 1ttf s VAL 4 Ca 0.00 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.93 1ttf s VAL 4 Cb 0.00 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1ttf s VAL 4 CO 0.00 0.38 0.98 1.55 0.00 0.00 0.00 175.10 178.01 1ttf h PRO 5 N 6.13 -0.46 0.00 2.72 0.13 -1.92 -3.50 132.00 135.10 1ttf h PRO 5 Ca -0.44 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1ttf h PRO 5 Cb 1.19 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ttf h PRO 5 CO 0.72 -0.31 0.00 2.89 -0.23 0.00 0.00 178.00 181.07 1ttf n ARG 6 N -3.55 0.00 -2.30 0.86 1.85 -1.15 -4.99 116.66 107.39 1ttf n ARG 6 Ca -0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.42 1ttf n ARG 6 Cb 0.19 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.56 1ttf n ARG 6 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1ttf s ASP 7 N 0.15 5.75 -0.43 2.89 2.15 -1.26 -4.29 116.67 121.62 1ttf s ASP 7 Ca 0.00 -0.45 -0.42 0.00 0.43 0.00 0.00 52.55 52.11 1ttf s ASP 7 Cb 0.00 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 39.90 1ttf s ASP 7 CO 0.00 -2.12 2.02 -0.11 -0.17 0.00 0.00 175.17 174.79 1ttf n LEU 8 N 11.24 1.37 -3.61 -1.34 0.00 -1.26 -4.78 117.00 118.62 1ttf n LEU 8 Ca 0.22 0.74 -0.00 0.00 0.00 0.00 0.00 56.01 56.96 1ttf n LEU 8 Cb 0.50 -1.02 -0.01 0.00 0.00 0.00 0.00 43.42 42.89 1ttf n LEU 8 CO 0.68 -0.73 1.17 -1.83 0.00 0.00 0.00 177.39 176.69 1ttf s GLU 9 N 5.31 0.07 0.11 1.96 -1.05 -0.12 -4.97 118.70 120.00 1ttf s GLU 9 Ca 1.12 -0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 55.61 1ttf s GLU 9 Cb -1.29 0.03 -0.06 0.00 -0.44 0.00 0.00 34.13 32.37 1ttf s GLU 9 CO 0.64 -0.03 1.12 0.08 0.95 0.00 0.00 175.26 178.02 1ttf s VAL 10 N -2.09 4.08 -0.06 1.83 1.01 -1.26 -2.31 120.40 121.59 1ttf s VAL 10 Ca 0.13 1.63 0.16 0.00 0.00 0.00 0.00 61.98 63.90 1ttf s VAL 10 Cb 0.02 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 1ttf s VAL 10 CO -0.04 0.20 0.27 0.55 0.00 0.00 0.00 175.10 176.09 1ttf n VAL 11 N 3.15 0.33 0.00 2.92 3.14 -1.14 -4.94 118.33 121.79 1ttf n VAL 11 Ca 0.05 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1ttf n VAL 11 Cb 0.47 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 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 -2.24 0.00 -2.86 1.55 0.00 -1.19 -5.05 120.51 110.72 1ttf n ALA 12 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1ttf n ALA 12 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.02 0.32 0.00 0.00 -1.26 -0.36 121.76 118.44 1ttf s ALA 13 Ca 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 51.96 51.55 1ttf s ALA 13 Cb 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1ttf s ALA 13 CO 0.00 -0.24 -0.04 0.95 0.00 0.00 0.00 175.76 176.43 1ttf s THR 14 N -2.00 2.65 -0.70 0.00 -4.23 0.15 -4.92 115.64 106.59 1ttf s THR 14 Ca -0.10 -2.08 -0.32 0.00 -1.18 0.00 0.00 61.69 58.01 1ttf s THR 14 Cb -0.05 -2.70 -0.16 0.00 1.34 0.00 0.00 72.50 70.93 1ttf s THR 14 CO -0.02 -0.26 2.47 -2.65 -0.54 0.00 0.00 174.62 173.63 1ttf n PRO 15 N -0.86 0.45 -2.89 3.99 -0.02 -1.26 0.12 135.00 134.53 1ttf n PRO 15 Ca -0.05 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1ttf n PRO 15 Cb 0.62 -2.15 0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ttf n THR 16 N 7.45 -1.33 -3.61 3.45 -2.24 -1.26 -5.02 114.28 111.72 1ttf n THR 16 Ca 0.53 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.16 1ttf n THR 16 Cb 0.18 -2.58 -0.07 0.00 -2.10 0.00 0.00 70.33 65.76 1ttf n THR 16 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ttf s SER 17 N -3.03 -0.59 -0.14 3.42 0.15 0.32 -4.09 113.70 109.74 1ttf s SER 17 Ca 0.24 0.85 0.01 0.00 0.70 0.00 0.00 55.95 57.76 1ttf s SER 17 Cb -0.11 0.81 0.02 0.00 -1.71 0.00 0.00 66.02 65.03 1ttf s SER 17 CO 0.30 -0.43 -0.17 -0.22 1.20 0.00 0.00 173.24 173.92 1ttf s LEU 18 N -0.59 1.82 -0.25 3.45 2.96 -0.50 0.35 118.68 125.91 1ttf s LEU 18 Ca -0.07 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 1ttf s LEU 18 Cb -0.03 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1ttf s LEU 18 CO 0.06 -0.00 0.33 -0.76 -1.32 0.00 0.00 176.35 174.65 1ttf s LEU 19 N 1.19 4.07 0.13 -0.68 1.43 0.51 -1.18 118.68 124.15 1ttf s LEU 19 Ca -0.01 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 1ttf s LEU 19 Cb -0.14 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1ttf s LEU 19 CO -0.07 -0.12 -0.21 0.27 0.23 0.00 0.00 176.35 176.46 1ttf s ILE 20 N 1.77 1.83 -0.08 -0.59 -5.25 -0.87 -2.90 121.20 115.11 1ttf s ILE 20 Ca 0.14 -1.71 0.04 0.00 -0.99 0.00 0.00 60.65 58.13 1ttf s ILE 20 Cb -0.15 -1.72 0.00 0.00 2.95 0.00 0.00 42.46 43.54 1ttf s ILE 20 CO 0.09 -0.13 -0.20 -0.94 -1.79 0.00 0.00 174.94 171.97 1ttf s SER 21 N -2.20 2.63 0.27 4.36 1.04 -0.98 -1.68 113.70 117.14 1ttf s SER 21 Ca 0.11 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1ttf s SER 21 Cb -0.09 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 64.98 1ttf s SER 21 CO 0.05 0.14 0.00 -2.67 0.98 0.00 0.00 173.24 171.75 1ttf n TRP 22 N 3.43 0.61 0.00 5.02 2.14 -1.10 -0.95 117.44 126.59 1ttf n TRP 22 Ca -0.19 -1.31 0.00 0.00 2.07 0.00 0.00 57.50 58.07 1ttf n TRP 22 Cb 0.53 -0.18 0.00 0.00 -0.81 0.00 0.00 31.31 30.85 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 -1.16 0.00 0.00 -0.67 -0.08 -1.26 -2.92 116.55 110.46 1ttf n ASP 23 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1ttf n ASP 23 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1ttf n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ttf n ALA 24 N -0.10 0.00 -1.77 -1.67 0.00 -1.26 -4.85 120.51 110.87 1ttf n ALA 24 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ttf n ALA 24 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ttf n ALA 24 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ttf s PRO 25 N 0.00 3.41 -0.01 0.00 0.04 -1.26 -4.94 135.00 132.23 1ttf s PRO 25 Ca 0.00 1.77 0.15 0.00 0.04 0.00 0.00 61.00 62.96 1ttf s PRO 25 Cb 0.00 -2.16 -0.20 0.00 0.04 0.00 0.00 34.50 32.18 1ttf s PRO 25 CO 0.00 -0.84 0.41 0.00 0.04 0.00 0.00 177.00 176.61 1ttf n ALA 26 N -1.04 2.97 -2.77 8.56 0.00 -1.26 -4.45 120.51 122.52 1ttf n ALA 26 Ca 0.10 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 1ttf n ALA 26 Cb 0.49 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.80 1.03 1.08 0.00 1.01 -1.26 -4.90 120.40 114.56 1ttf s VAL 27 Ca -0.02 -2.00 -0.20 0.00 0.00 0.00 0.00 61.98 59.77 1ttf s VAL 27 Cb 0.10 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1ttf s VAL 27 CO 0.60 0.00 -0.26 0.35 0.00 0.00 0.00 175.10 175.79 1ttf n THR 28 N -1.28 0.00 -3.62 3.92 -2.24 -1.26 -4.85 114.28 104.95 1ttf n THR 28 Ca -0.20 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 1ttf n THR 28 Cb 0.67 -0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.20 -0.13 0.08 2.28 1.01 -1.26 -4.75 120.40 115.43 1ttf s VAL 29 Ca 0.52 0.03 -0.35 0.00 0.00 0.00 0.00 61.98 62.18 1ttf s VAL 29 Cb -0.09 -0.45 -0.17 0.00 0.00 0.00 0.00 36.38 35.67 1ttf s VAL 29 CO 0.67 -0.13 1.54 -0.09 0.00 0.00 0.00 175.10 177.09 1ttf h ARG 30 N 8.41 -0.92 -3.38 2.72 2.43 -1.31 -3.44 114.38 118.90 1ttf h ARG 30 Ca -0.14 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1ttf h ARG 30 Cb 1.14 0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 30.78 1ttf h ARG 30 CO 0.24 -0.61 -0.05 1.52 -1.51 0.00 0.00 179.97 179.56 1ttf s TYR 31 N -5.75 -0.16 0.32 2.20 -0.85 -1.11 -4.54 117.35 107.46 1ttf s TYR 31 Ca -0.17 -0.16 0.08 0.00 -0.52 0.00 0.00 57.07 56.30 1ttf s TYR 31 Cb 0.04 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 1ttf s TYR 31 CO 0.58 -0.76 0.22 0.71 -1.52 0.00 0.00 175.55 174.78 1ttf s TYR 32 N -3.83 2.87 -0.33 -3.49 1.51 0.92 -2.53 117.35 112.47 1ttf s TYR 32 Ca 0.05 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1ttf s TYR 32 Cb 0.01 -1.67 0.14 0.00 -0.11 0.00 0.00 41.96 40.34 1ttf s TYR 32 CO -0.09 0.30 0.32 0.50 -1.11 0.00 0.00 175.55 175.47 1ttf s ARG 33 N -3.92 0.48 -0.04 -0.62 3.52 -1.01 -2.39 118.95 114.97 1ttf s ARG 33 Ca 0.38 -0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 55.27 1ttf s ARG 33 Cb -0.05 -0.73 -0.05 0.00 -1.56 0.00 0.00 34.95 32.56 1ttf s ARG 33 CO 0.25 -1.11 0.50 0.42 -0.81 0.00 0.00 175.30 174.54 1ttf s ILE 34 N 1.87 5.02 -0.01 4.11 1.01 -0.58 -2.54 121.20 130.09 1ttf s ILE 34 Ca 0.13 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1ttf s ILE 34 Cb -0.15 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.50 1ttf s ILE 34 CO -0.18 0.45 -0.01 0.42 0.00 0.00 0.00 174.94 175.62 1ttf s THR 35 N -0.25 0.13 0.08 2.92 -4.23 -0.58 -1.33 115.64 112.37 1ttf s THR 35 Ca 0.27 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1ttf s THR 35 Cb -0.17 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1ttf s THR 35 CO 0.14 0.06 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.51 1ttf s TYR 36 N 0.24 0.72 -0.29 3.99 1.13 -0.92 -1.49 117.35 120.72 1ttf s TYR 36 Ca -0.02 -1.00 -0.21 0.00 -1.41 0.00 0.00 57.07 54.43 1ttf s TYR 36 Cb -0.04 -0.46 0.18 0.00 -1.10 0.00 0.00 41.96 40.54 1ttf s TYR 36 CO -0.01 -0.27 1.25 0.20 -2.51 0.00 0.00 175.55 174.21 1ttf s GLY 37 N -2.99 0.28 -0.47 5.49 0.00 -0.97 -1.42 107.32 107.25 1ttf s GLY 37 Ca 0.10 3.40 -0.28 0.00 0.00 0.00 0.00 44.72 47.93 1ttf s GLY 37 CO -0.07 2.25 1.39 -1.83 0.00 0.00 0.00 173.10 174.84 1ttf s GLU 38 N 0.54 3.49 -0.78 2.90 -1.05 -1.26 -2.24 118.70 120.31 1ttf s GLU 38 Ca -0.00 0.74 -0.27 0.00 -0.15 0.00 0.00 54.97 55.28 1ttf s GLU 38 Cb -0.04 -4.05 -0.16 0.00 -0.44 0.00 0.00 34.13 29.44 1ttf s GLU 38 CO -0.12 -1.68 2.54 2.41 0.95 0.00 0.00 175.26 179.35 1ttf n THR 39 N 7.00 -0.04 0.00 1.83 -1.04 -1.26 -3.45 114.28 117.32 1ttf n THR 39 Ca 0.15 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1ttf n THR 39 Cb 0.49 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 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 6.25 -1.37 1.43 3.41 0.00 -1.26 -5.00 105.19 108.65 1ttf n GLY 40 Ca 0.53 0.40 -0.12 0.00 0.00 0.00 0.00 46.02 46.83 1ttf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ttf n GLY 41 N 0.00 -2.74 1.11 -0.02 0.00 -1.22 -4.94 105.19 97.37 1ttf n GLY 41 Ca 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.70 1ttf n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ttf n ASN 42 N -3.83 3.31 -3.76 1.61 4.13 -1.26 -4.94 115.26 110.53 1ttf n ASN 42 Ca 0.06 -1.97 -0.13 0.00 1.68 0.00 0.00 54.58 54.22 1ttf n ASN 42 Cb 0.24 -0.24 -0.09 0.00 -1.54 0.00 0.00 39.78 38.16 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ttf s SER 43 N -1.49 -0.19 1.11 6.41 1.04 -1.26 -5.16 113.70 114.16 1ttf s SER 43 Ca 0.38 0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.77 1ttf s SER 43 Cb 0.22 0.31 0.25 0.00 0.10 0.00 0.00 66.02 66.91 1ttf s SER 43 CO 0.31 -0.45 1.05 -2.16 0.98 0.00 0.00 173.24 172.97 1ttf s PRO 44 N -1.35 -0.48 -0.06 4.02 0.04 -1.26 -4.85 135.00 131.06 1ttf s PRO 44 Ca -0.13 0.72 -0.07 0.00 0.04 0.00 0.00 61.00 61.56 1ttf s PRO 44 Cb -0.05 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1ttf s PRO 44 CO 0.04 -3.40 0.30 0.28 0.04 0.00 0.00 177.00 174.26 1ttf h VAL 45 N -2.38 0.00 -1.35 -0.36 2.07 -1.57 -3.48 116.25 109.18 1ttf h VAL 45 Ca -0.59 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.25 1ttf h VAL 45 Cb 1.33 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ttf h VAL 45 CO 0.53 0.00 0.02 1.67 0.02 0.00 0.00 177.57 179.81 1ttf n GLN 46 N -4.53 0.01 -3.84 1.57 7.27 -1.09 -5.04 117.38 111.72 1ttf n GLN 46 Ca -0.03 -0.03 -0.03 0.00 0.07 0.00 0.00 57.00 56.99 1ttf n GLN 46 Cb 0.09 0.04 0.01 0.00 2.41 0.00 0.00 30.24 32.79 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 -2.00 1.20 -0.25 3.69 1.03 -1.26 -2.16 118.70 118.95 1ttf s GLU 47 Ca 0.01 -0.75 -0.30 0.00 0.03 0.00 0.00 54.97 53.96 1ttf s GLU 47 Cb -0.00 0.35 0.17 0.00 -0.80 0.00 0.00 34.13 33.86 1ttf s GLU 47 CO 0.00 -0.56 1.26 -0.59 -1.33 0.00 0.00 175.26 174.04 1ttf s PHE 48 N -2.41 -0.13 0.16 4.83 -0.12 -0.45 -5.00 117.98 114.86 1ttf s PHE 48 Ca 0.20 0.22 0.07 0.00 -0.05 0.00 0.00 56.93 57.37 1ttf s PHE 48 Cb -0.02 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1ttf s PHE 48 CO 0.04 -0.12 -0.03 0.95 -0.05 0.00 0.00 175.22 176.01 1ttf s THR 49 N -1.07 3.60 0.01 -4.49 -4.23 -1.26 -1.53 115.64 106.68 1ttf s THR 49 Ca 0.06 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 1ttf s THR 49 Cb -0.01 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 1ttf s THR 49 CO -0.05 -0.06 0.08 0.68 -0.54 0.00 0.00 174.62 174.72 1ttf s VAL 50 N -1.63 0.09 -0.13 2.29 -7.23 -1.01 -4.95 120.40 107.85 1ttf s VAL 50 Ca 0.26 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1ttf s VAL 50 Cb -0.10 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.46 1ttf s VAL 50 CO 0.17 -0.43 0.27 -0.81 -0.31 0.00 0.00 175.10 173.99 1ttf n PRO 51 N 1.47 0.29 -0.63 4.82 -0.04 -1.26 -0.06 135.00 139.59 1ttf n PRO 51 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1ttf n PRO 51 Cb 0.55 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.79 0.00 0.16 0.55 0.00 -1.26 -4.71 105.19 100.72 1ttf n GLY 52 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.21 -2.93 1.61 0.87 -1.93 -3.44 113.55 107.93 1ttf h SER 53 Ca 0.00 -0.12 -0.53 0.00 -1.23 0.00 0.00 61.79 59.90 1ttf h SER 53 Cb 0.58 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1ttf h SER 53 CO 0.00 0.78 -0.29 -0.75 -0.53 0.00 0.00 176.83 176.04 1ttf s LYS 54 N -3.69 3.55 -0.06 2.24 2.47 -1.26 -5.01 119.74 117.98 1ttf s LYS 54 Ca -0.03 -0.25 0.17 0.00 -1.56 0.00 0.00 55.97 54.29 1ttf s LYS 54 Cb 0.12 -2.79 -0.25 0.00 -1.46 0.00 0.00 37.83 33.44 1ttf s LYS 54 CO 0.79 0.36 0.29 0.43 0.16 0.00 0.00 175.35 177.38 1ttf n SER 55 N -0.70 1.00 -3.28 1.43 7.64 -1.26 -4.98 113.62 113.47 1ttf n SER 55 Ca -0.04 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.67 1ttf n SER 55 Cb 0.54 1.55 -0.04 0.00 -1.01 0.00 0.00 64.21 65.25 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 -2.24 0.00 -3.82 0.44 -2.24 -1.26 -2.71 114.28 102.45 1ttf n THR 56 Ca -0.10 -1.31 -0.01 0.00 -2.27 0.00 0.00 64.05 60.36 1ttf n THR 56 Cb 0.62 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.51 -1.91 0.00 6.98 0.00 -0.68 -4.99 121.76 118.65 1ttf s ALA 57 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1ttf s ALA 57 Cb 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1ttf s ALA 57 CO 0.02 -1.07 -0.12 -0.08 0.00 0.00 0.00 175.76 174.51 1ttf s THR 58 N -2.44 0.94 -0.19 0.00 -1.32 -1.26 -2.04 115.64 109.33 1ttf s THR 58 Ca 0.19 -0.63 -0.02 0.00 -1.21 0.00 0.00 61.69 60.03 1ttf s THR 58 Cb -0.00 -0.81 0.06 0.00 -1.51 0.00 0.00 72.50 70.23 1ttf s THR 58 CO 0.01 0.17 0.01 -0.63 -2.21 0.00 0.00 174.62 171.97 1ttf s ILE 59 N -0.45 0.77 0.05 5.08 1.01 -0.33 -4.95 121.20 122.40 1ttf s ILE 59 Ca 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1ttf s ILE 59 Cb -0.05 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1ttf s ILE 59 CO -0.00 -0.12 -0.02 -0.55 0.00 0.00 0.00 174.94 174.26 1ttf s SER 60 N 1.75 4.96 0.00 3.58 0.15 -1.26 -1.41 113.70 121.47 1ttf s SER 60 Ca -0.01 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1ttf s SER 60 Cb -0.17 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 1ttf s SER 60 CO -0.07 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1ttf n GLY 61 N 0.97 1.92 1.69 9.45 0.00 -1.26 -5.05 105.19 112.91 1ttf n GLY 61 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.77 0.99 -0.00 -1.26 -5.14 117.00 107.82 1ttf n LEU 62 Ca 0.00 -1.21 -0.21 0.00 -0.00 0.00 0.00 56.01 54.59 1ttf n LEU 62 Cb 0.00 -0.08 -0.17 0.00 -0.00 0.00 0.00 43.42 43.17 1ttf n LEU 62 CO 0.00 -0.47 -0.37 -0.75 -0.00 0.00 0.00 177.39 175.80 1ttf s LYS 63 N -3.05 0.42 -0.07 1.47 2.20 -1.26 -4.99 119.74 114.46 1ttf s LYS 63 Ca 0.18 0.15 -0.32 0.00 -0.36 0.00 0.00 55.97 55.62 1ttf s LYS 63 Cb -0.01 -0.77 -0.10 0.00 -1.51 0.00 0.00 37.83 35.44 1ttf s LYS 63 CO 0.12 -0.26 1.96 -2.30 -0.36 0.00 0.00 175.35 174.50 1ttf n PRO 64 N 4.91 2.37 0.00 4.03 -0.02 -1.26 -3.81 135.00 141.22 1ttf n PRO 64 Ca -0.11 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1ttf n PRO 64 Cb 0.50 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttf n GLY 65 N 4.66 0.80 3.56 -1.23 0.00 -1.21 -5.14 105.19 106.64 1ttf n GLY 65 Ca 0.23 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.66 0.00 0.59 1.61 0.11 -0.63 -5.07 120.40 115.35 1ttf s VAL 66 Ca 0.00 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 1ttf s VAL 66 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1ttf s VAL 66 CO 0.00 0.00 1.11 -0.62 -3.33 0.00 0.00 175.10 172.26 1ttf s ASP 67 N -0.91 5.50 -0.08 3.54 -1.08 -1.26 -2.48 116.67 119.89 1ttf s ASP 67 Ca -0.05 2.07 -0.08 0.00 -0.52 0.00 0.00 52.55 53.96 1ttf s ASP 67 Cb -0.01 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.91 1ttf s ASP 67 CO 0.04 -1.37 0.24 -0.31 0.52 0.00 0.00 175.17 174.29 1ttf s TYR 68 N -2.07 -0.24 -0.30 -5.34 2.02 -0.57 -4.43 117.35 106.42 1ttf s TYR 68 Ca 0.69 0.59 0.01 0.00 -0.37 0.00 0.00 57.07 58.00 1ttf s TYR 68 Cb -0.22 0.08 0.07 0.00 -0.40 0.00 0.00 41.96 41.50 1ttf s TYR 68 CO 0.33 -0.14 -0.02 0.99 -1.57 0.00 0.00 175.55 175.14 1ttf s THR 69 N 0.00 2.52 0.26 -0.71 2.01 -0.95 -0.74 115.64 118.03 1ttf s THR 69 Ca -0.01 -1.72 0.06 0.00 0.31 0.00 0.00 61.69 60.33 1ttf s THR 69 Cb -0.02 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1ttf s THR 69 CO 0.01 -0.21 0.31 -0.51 -0.69 0.00 0.00 174.62 173.53 1ttf s ILE 70 N 1.11 4.71 -0.27 1.82 2.07 -0.95 -2.30 121.20 127.39 1ttf s ILE 70 Ca -0.03 -1.17 -0.25 0.00 -1.41 0.00 0.00 60.65 57.79 1ttf s ILE 70 Cb -0.20 -3.60 0.07 0.00 0.13 0.00 0.00 42.46 38.87 1ttf s ILE 70 CO -0.04 -0.31 0.74 -0.89 -1.91 0.00 0.00 174.94 172.53 1ttf s THR 71 N -2.08 0.00 -0.08 4.00 2.01 -0.56 -2.19 115.64 116.74 1ttf s THR 71 Ca 0.35 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1ttf s THR 71 Cb -0.08 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1ttf s THR 71 CO 0.28 0.00 -0.06 0.68 -0.69 0.00 0.00 174.62 174.82 1ttf s VAL 72 N 0.42 0.84 -0.18 3.82 -7.23 -0.97 -1.52 120.40 115.58 1ttf s VAL 72 Ca -0.00 -0.22 -0.07 0.00 -1.81 0.00 0.00 61.98 59.88 1ttf s VAL 72 Cb -0.05 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1ttf s VAL 72 CO -0.00 0.32 0.04 -0.31 -0.31 0.00 0.00 175.10 174.84 1ttf s TYR 73 N 1.41 3.20 -0.46 2.82 1.51 -1.05 -2.78 117.35 122.00 1ttf s TYR 73 Ca -0.02 -0.01 -0.13 0.00 -1.01 0.00 0.00 57.07 55.91 1ttf s TYR 73 Cb -0.13 -2.05 0.08 0.00 -0.11 0.00 0.00 41.96 39.75 1ttf s TYR 73 CO -0.04 0.12 0.35 0.00 -1.11 0.00 0.00 175.55 174.87 1ttf s ALA 74 N 0.36 3.45 -0.27 3.71 0.00 -1.26 -2.41 121.76 125.33 1ttf s ALA 74 Ca 0.01 -2.20 -0.12 0.00 0.00 0.00 0.00 51.96 49.66 1ttf s ALA 74 Cb -0.13 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1ttf s ALA 74 CO 0.01 -1.74 0.21 0.08 0.00 0.00 0.00 175.76 174.32 1ttf s VAL 75 N 1.53 5.30 -0.08 0.00 1.01 -1.05 -4.49 120.40 122.62 1ttf s VAL 75 Ca 0.04 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1ttf s VAL 75 Cb -0.24 -3.55 -0.25 0.00 0.00 0.00 0.00 36.38 32.33 1ttf s VAL 75 CO 0.04 0.25 0.52 0.71 0.00 0.00 0.00 175.10 176.62 1ttf h THR 76 N 5.30 0.74 -2.89 3.92 1.35 -1.85 -0.68 112.91 118.80 1ttf h THR 76 Ca -0.35 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 1ttf h THR 76 Cb 1.18 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1ttf h THR 76 CO 0.59 0.72 -0.73 0.61 -0.25 0.00 0.00 175.52 176.46 1ttf n GLY 77 N 1.79 -4.03 0.02 5.82 0.00 -1.26 -4.28 105.19 103.25 1ttf n GLY 77 Ca -0.25 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.64 2.29 0.00 1.61 5.12 -1.26 -4.98 116.66 117.81 1ttf n ARG 78 Ca 0.00 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1ttf n ARG 78 Cb 0.19 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ttf n GLY 79 N 2.53 0.24 1.20 -0.13 0.00 -1.26 -4.99 105.19 102.79 1ttf n GLY 79 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.77 -4.61 1.61 8.00 -1.26 -5.10 116.55 113.42 1ttf n ASP 80 Ca 0.00 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.61 1ttf n ASP 80 Cb 0.00 1.87 -0.04 0.00 -0.02 0.00 0.00 41.12 42.93 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ttf s SER 81 N -2.00 6.70 -0.53 -2.24 0.15 -1.26 -4.97 113.70 109.55 1ttf s SER 81 Ca 0.00 0.67 -0.26 0.00 0.70 0.00 0.00 55.95 57.06 1ttf s SER 81 Cb 0.00 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1ttf s SER 81 CO 0.00 -0.75 2.12 -2.16 1.20 0.00 0.00 173.24 173.65 1ttf s PRO 82 N 3.26 2.42 -0.03 5.44 0.04 -1.26 -4.24 135.00 140.63 1ttf s PRO 82 Ca 0.36 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 1ttf s PRO 82 Cb -0.13 -4.47 -0.03 0.00 0.04 0.00 0.00 34.50 29.91 1ttf s PRO 82 CO 0.15 -2.93 1.07 0.00 0.04 0.00 0.00 177.00 175.33 1ttf s ALA 83 N 10.41 3.33 -0.24 8.56 0.00 -1.26 -4.98 121.76 137.59 1ttf s ALA 83 Ca 0.82 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1ttf s ALA 83 Cb -0.16 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1ttf s ALA 83 CO 0.24 -0.47 1.36 -1.54 0.00 0.00 0.00 175.76 175.35 1ttf s SER 84 N 1.13 6.69 0.00 0.00 1.04 -1.26 -4.65 113.70 116.66 1ttf s SER 84 Ca 0.53 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1ttf s SER 84 Cb -0.22 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1ttf s SER 84 CO 0.24 -1.02 0.00 -0.24 0.98 0.00 0.00 173.24 173.20 1ttf n SER 85 N 7.48 0.00 -3.18 7.02 2.88 -1.26 -4.97 113.62 121.59 1ttf n SER 85 Ca 0.15 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.49 1ttf n SER 85 Cb 0.46 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 1ttf n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ttf n LYS 86 N 0.00 1.12 -0.64 -1.46 4.81 -1.26 -5.12 118.16 115.61 1ttf n LYS 86 Ca 0.00 -3.49 -0.30 0.00 -0.87 0.00 0.00 58.31 53.65 1ttf n LYS 86 Cb 0.00 -1.64 0.21 0.00 0.02 0.00 0.00 35.03 33.61 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1ttf s PRO 87 N -2.21 0.11 -0.16 1.64 0.01 -1.26 -4.80 135.00 128.33 1ttf s PRO 87 Ca 0.39 1.20 -0.12 0.00 0.01 0.00 0.00 61.00 62.48 1ttf s PRO 87 Cb 0.30 -1.65 0.05 0.00 0.01 0.00 0.00 34.50 33.21 1ttf s PRO 87 CO -0.09 -3.14 0.40 -1.50 0.01 0.00 0.00 177.00 172.69 1ttf s ILE 88 N -2.57 -0.01 -0.02 2.83 2.07 -1.12 -5.03 121.20 117.36 1ttf s ILE 88 Ca 0.67 0.05 0.05 0.00 -1.41 0.00 0.00 60.65 60.01 1ttf s ILE 88 Cb -0.24 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 41.76 1ttf s ILE 88 CO 0.61 0.02 -0.16 -0.44 -1.91 0.00 0.00 174.94 173.06 1ttf s SER 89 N 0.77 1.87 0.08 4.50 0.01 -1.26 -2.30 113.70 117.37 1ttf s SER 89 Ca -0.05 -0.29 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 1ttf s SER 89 Cb -0.05 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1ttf s SER 89 CO -0.06 0.19 0.28 0.27 0.41 0.00 0.00 173.24 174.34 1ttf s ILE 90 N -0.32 0.10 0.31 1.44 -4.36 -0.93 -5.03 121.20 112.41 1ttf s ILE 90 Ca 0.05 -0.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.62 1ttf s ILE 90 Cb -0.07 -1.13 -0.03 0.00 1.25 0.00 0.00 42.46 42.48 1ttf s ILE 90 CO -0.00 -0.46 0.49 0.54 0.24 0.00 0.00 174.94 175.75 1ttf s ASN 91 N -2.53 6.31 -0.29 4.36 4.22 -1.26 -2.25 114.94 123.50 1ttf s ASN 91 Ca 0.00 0.35 -0.17 0.00 -2.14 0.00 0.00 52.86 50.90 1ttf s ASN 91 Cb 0.02 -1.99 0.13 0.00 1.28 0.00 0.00 41.25 40.70 1ttf s ASN 91 CO -0.08 -0.22 0.93 -0.47 -2.04 0.00 0.00 177.10 175.22 1ttf s TYR 92 N -2.21 -0.64 -0.26 1.54 6.14 0.08 -4.93 117.35 117.06 1ttf s TYR 92 Ca 0.38 1.31 -0.22 0.00 0.64 0.00 0.00 57.07 59.18 1ttf s TYR 92 Cb -0.09 0.39 -0.01 0.00 0.42 0.00 0.00 41.96 42.66 1ttf s TYR 92 CO 0.34 -0.32 0.69 1.03 0.64 0.00 0.00 175.55 177.93 1ttf s ARG 93 N 1.29 4.08 0.00 4.97 0.52 -1.26 -1.51 118.95 127.05 1ttf s ARG 93 Ca -0.08 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1ttf s ARG 93 Cb -0.04 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1ttf s ARG 93 CO -0.15 -0.49 0.49 0.25 0.02 0.00 0.00 175.30 175.42