#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 0.00 4.52 7.64 -1.26 -4.82 113.62 119.70 1ttf n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ttf n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ttf n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ttf n ASP 3 N 0.00 0.00 -4.77 6.43 -0.08 -1.26 -4.88 116.55 111.99 1ttf n ASP 3 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1ttf n ASP 3 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ttf s VAL 4 N -0.03 4.98 1.07 5.18 1.01 -1.26 -4.89 120.40 126.46 1ttf s VAL 4 Ca 0.00 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.96 1ttf s VAL 4 Cb 0.00 -3.86 0.20 0.00 0.00 0.00 0.00 36.38 32.72 1ttf s VAL 4 CO 0.00 0.44 0.90 -0.81 0.00 0.00 0.00 175.10 175.62 1ttf n PRO 5 N 2.71 -1.55 -3.67 2.72 -0.04 -1.26 -4.95 135.00 128.95 1ttf n PRO 5 Ca -0.08 -0.41 0.01 0.00 -0.04 0.00 0.00 63.50 62.98 1ttf n PRO 5 Cb 0.51 -2.16 -0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 -4.30 0.45 -0.61 0.54 1.70 -1.26 -5.00 118.95 110.47 1ttf s ARG 6 Ca 0.66 -0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 55.64 1ttf s ARG 6 Cb -0.23 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 1ttf s ARG 6 CO 0.63 -0.21 0.52 -3.47 -1.08 0.00 0.00 175.30 171.69 1ttf n ASP 7 N -0.57 -3.20 -4.65 -2.89 2.03 -1.26 -1.99 116.55 104.02 1ttf n ASP 7 Ca -0.07 -0.27 -0.41 0.00 0.52 0.00 0.00 54.79 54.56 1ttf n ASP 7 Cb 0.62 -2.65 -0.06 0.00 -0.72 0.00 0.00 41.12 38.32 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ttf s LEU 8 N -4.00 4.11 0.00 -2.67 1.02 -1.26 -4.13 118.68 111.75 1ttf s LEU 8 Ca 0.16 0.86 -0.29 0.00 0.02 0.00 0.00 54.13 54.88 1ttf s LEU 8 Cb -0.07 -2.97 0.10 0.00 0.02 0.00 0.00 46.19 43.28 1ttf s LEU 8 CO 0.34 -0.36 1.10 -0.70 0.02 0.00 0.00 176.35 176.75 1ttf s GLU 9 N 2.29 0.69 0.08 1.70 2.12 -1.09 -5.05 118.70 119.44 1ttf s GLU 9 Ca 0.30 -0.34 -0.13 0.00 0.36 0.00 0.00 54.97 55.16 1ttf s GLU 9 Cb -0.16 0.26 -0.06 0.00 0.26 0.00 0.00 34.13 34.43 1ttf s GLU 9 CO 0.09 -0.31 0.45 0.08 -0.54 0.00 0.00 175.26 175.03 1ttf s VAL 10 N -2.80 4.99 0.00 3.70 1.01 -1.26 -2.51 120.40 123.53 1ttf s VAL 10 Ca 0.11 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1ttf s VAL 10 Cb 0.01 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1ttf s VAL 10 CO -0.03 0.36 0.20 0.55 0.00 0.00 0.00 175.10 176.18 1ttf n VAL 11 N 1.15 0.00 -3.65 2.92 3.14 -1.06 -4.99 118.33 115.85 1ttf n VAL 11 Ca -0.09 -0.28 -0.01 0.00 -2.96 0.00 0.00 64.34 61.00 1ttf n VAL 11 Cb 0.52 1.32 -0.05 0.00 -1.06 0.00 0.00 33.84 34.57 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ttf s ALA 12 N -0.16 -2.17 -0.30 1.55 0.00 -1.23 -5.04 121.76 114.41 1ttf s ALA 12 Ca 0.00 1.86 -0.16 0.00 0.00 0.00 0.00 51.96 53.65 1ttf s ALA 12 Cb 0.00 -1.66 0.18 0.00 0.00 0.00 0.00 23.12 21.64 1ttf s ALA 12 CO 0.00 -0.19 1.17 0.00 0.00 0.00 0.00 175.76 176.73 1ttf s ALA 13 N -0.75 -3.59 0.00 0.00 0.00 -1.26 0.64 121.76 116.79 1ttf s ALA 13 Ca 0.09 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1ttf s ALA 13 Cb -0.02 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1ttf s ALA 13 CO -0.11 -1.38 0.00 0.25 0.00 0.00 0.00 175.76 174.53 1ttf n THR 14 N 5.31 0.00 -1.27 0.00 -2.24 -0.46 -4.92 114.28 110.70 1ttf n THR 14 Ca -0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1ttf n THR 14 Cb 0.54 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 1ttf n THR 14 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ttf n PRO 15 N -1.66 0.05 -2.50 -0.78 -0.04 -1.26 -3.20 135.00 125.62 1ttf n PRO 15 Ca 0.00 -1.05 -0.08 0.00 -0.04 0.00 0.00 63.50 62.32 1ttf n PRO 15 Cb 0.00 -2.80 -0.02 0.00 -0.04 0.00 0.00 33.50 30.65 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 7.28 0.00 -3.97 0.52 -1.04 -1.26 -4.81 114.28 110.99 1ttf n THR 16 Ca 0.28 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.19 1ttf n THR 16 Cb 0.46 -0.10 -0.11 0.00 -1.82 0.00 0.00 70.33 68.76 1ttf n THR 16 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ttf s SER 17 N -1.85 0.25 -0.02 8.00 0.01 -1.19 -3.77 113.70 115.12 1ttf s SER 17 Ca 0.16 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 57.01 1ttf s SER 17 Cb -0.09 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 1ttf s SER 17 CO 0.20 -0.26 -0.12 -0.22 0.41 0.00 0.00 173.24 173.25 1ttf s LEU 18 N -1.31 2.89 -0.30 2.44 2.96 0.56 -1.35 118.68 124.56 1ttf s LEU 18 Ca -0.14 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1ttf s LEU 18 Cb -0.09 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 45.03 1ttf s LEU 18 CO -0.01 0.32 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.11 1ttf s LEU 19 N -1.05 4.03 0.22 -0.68 2.96 0.21 -0.71 118.68 123.65 1ttf s LEU 19 Ca 0.14 -1.54 0.06 0.00 -0.22 0.00 0.00 54.13 52.57 1ttf s LEU 19 Cb -0.11 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1ttf s LEU 19 CO 0.03 -0.29 0.16 0.27 -1.32 0.00 0.00 176.35 175.21 1ttf s ILE 20 N 1.13 4.40 -0.16 6.68 -4.36 -0.95 -2.55 121.20 125.38 1ttf s ILE 20 Ca -0.02 -1.31 -0.14 0.00 -0.26 0.00 0.00 60.65 58.92 1ttf s ILE 20 Cb -0.20 -3.32 0.04 0.00 1.25 0.00 0.00 42.46 40.23 1ttf s ILE 20 CO -0.04 -0.25 0.43 -0.94 0.24 0.00 0.00 174.94 174.38 1ttf s SER 21 N -3.53 -0.46 0.00 4.36 1.04 -1.04 -2.54 113.70 111.52 1ttf s SER 21 Ca 0.32 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1ttf s SER 21 Cb -0.09 0.87 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1ttf s SER 21 CO 0.24 -0.16 0.00 -2.67 0.98 0.00 0.00 173.24 171.63 1ttf n TRP 22 N 3.09 0.00 -3.75 5.02 2.14 -1.10 -2.66 117.44 120.17 1ttf n TRP 22 Ca -0.15 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.22 1ttf n TRP 22 Cb 0.57 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 31.05 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 1.22 5.78 -0.28 -0.67 2.15 -0.84 -4.80 116.67 119.24 1ttf s ASP 23 Ca 0.00 -0.23 -0.02 0.00 0.43 0.00 0.00 52.55 52.73 1ttf s ASP 23 Cb 0.00 -1.30 0.12 0.00 -0.30 0.00 0.00 42.92 41.44 1ttf s ASP 23 CO 0.00 -0.28 0.26 0.00 -0.17 0.00 0.00 175.17 174.98 1ttf s ALA 24 N -2.17 -0.30 1.15 3.66 0.00 -1.26 -4.76 121.76 118.09 1ttf s ALA 24 Ca 0.40 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 1ttf s ALA 24 Cb -0.08 -1.67 0.21 0.00 0.00 0.00 0.00 23.12 21.58 1ttf s ALA 24 CO 0.29 -1.62 0.48 -2.30 0.00 0.00 0.00 175.76 172.61 1ttf n PRO 25 N 5.31 -2.91 0.01 0.00 -0.02 -1.26 -4.94 135.00 131.18 1ttf n PRO 25 Ca -0.03 -0.81 0.11 0.00 -2.02 0.00 0.00 63.50 60.75 1ttf n PRO 25 Cb 0.46 -1.17 -0.08 0.00 -0.02 0.00 0.00 33.50 32.69 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 -4.40 3.83 -1.73 3.55 0.00 -1.26 -4.96 120.51 115.54 1ttf n ALA 26 Ca -0.11 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.43 1ttf n ALA 26 Cb 0.33 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.83 3.60 -1.27 0.00 0.24 -1.26 -4.76 118.33 113.05 1ttf n VAL 27 Ca 0.01 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.42 1ttf n VAL 27 Cb 0.42 -1.64 -0.07 0.00 -1.47 0.00 0.00 33.84 31.08 1ttf n VAL 27 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1ttf n THR 28 N -0.92 1.53 -2.02 3.34 -1.04 -1.26 -4.89 114.28 109.03 1ttf n THR 28 Ca 0.10 -1.40 -0.42 0.00 -2.04 0.00 0.00 64.05 60.28 1ttf n THR 28 Cb 0.44 -2.23 -0.03 0.00 -1.82 0.00 0.00 70.33 66.69 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 7.02 3.13 0.24 12.58 1.01 -1.26 -4.88 120.40 138.24 1ttf s VAL 29 Ca 0.62 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 1ttf s VAL 29 Cb 0.11 -3.42 0.21 0.00 0.00 0.00 0.00 36.38 33.27 1ttf s VAL 29 CO 0.16 0.01 1.79 0.03 0.00 0.00 0.00 175.10 177.10 1ttf h ARG 30 N 7.77 0.69 -1.04 2.72 2.47 -1.68 -3.43 114.38 121.88 1ttf h ARG 30 Ca -0.42 -0.04 0.37 0.00 -1.26 0.00 0.00 59.98 58.63 1ttf h ARG 30 Cb 1.20 -0.16 -0.17 0.00 -1.65 0.00 0.00 29.97 29.19 1ttf h ARG 30 CO 0.91 0.46 0.98 1.52 0.56 0.00 0.00 179.97 184.40 1ttf s TYR 31 N -6.03 -0.01 0.31 3.04 -0.85 -1.14 -4.60 117.35 108.08 1ttf s TYR 31 Ca -0.12 -0.00 0.09 0.00 -0.52 0.00 0.00 57.07 56.52 1ttf s TYR 31 Cb 0.19 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.99 1ttf s TYR 31 CO 0.78 -0.02 -0.02 0.71 -1.52 0.00 0.00 175.55 175.48 1ttf s TYR 32 N -2.04 2.55 -0.24 -3.49 1.51 -0.16 -2.53 117.35 112.95 1ttf s TYR 32 Ca 0.14 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1ttf s TYR 32 Cb 0.04 -1.36 0.11 0.00 -0.11 0.00 0.00 41.96 40.65 1ttf s TYR 32 CO -0.05 0.54 0.27 0.50 -1.11 0.00 0.00 175.55 175.70 1ttf s ARG 33 N -3.68 0.26 -0.26 -0.62 3.52 -0.54 -2.24 118.95 115.38 1ttf s ARG 33 Ca 0.33 0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.93 1ttf s ARG 33 Cb -0.02 -0.91 -0.05 0.00 -1.56 0.00 0.00 34.95 32.41 1ttf s ARG 33 CO 0.19 -0.80 0.18 0.42 -0.81 0.00 0.00 175.30 174.48 1ttf s ILE 34 N 2.36 5.33 -0.03 4.11 1.09 -0.99 -0.23 121.20 132.84 1ttf s ILE 34 Ca 0.09 0.18 0.07 0.00 -1.10 0.00 0.00 60.65 59.89 1ttf s ILE 34 Cb -0.15 -3.52 -0.02 0.00 -1.06 0.00 0.00 42.46 37.71 1ttf s ILE 34 CO -0.21 0.29 -0.25 0.42 -0.10 0.00 0.00 174.94 175.09 1ttf s THR 35 N 1.48 2.12 0.07 2.92 -4.23 0.87 -1.93 115.64 116.94 1ttf s THR 35 Ca 0.07 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1ttf s THR 35 Cb -0.15 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 1ttf s THR 35 CO 0.08 0.58 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.96 1ttf s TYR 36 N -0.53 0.73 -0.29 3.99 1.13 -0.83 -0.27 117.35 121.28 1ttf s TYR 36 Ca 0.07 -0.74 -0.26 0.00 -1.41 0.00 0.00 57.07 54.73 1ttf s TYR 36 Cb -0.11 -0.44 0.18 0.00 -1.10 0.00 0.00 41.96 40.50 1ttf s TYR 36 CO -0.00 -0.15 1.37 0.20 -2.51 0.00 0.00 175.55 174.47 1ttf s GLY 37 N -2.35 0.22 1.13 5.49 0.00 -1.03 -2.87 107.32 107.92 1ttf s GLY 37 Ca 0.01 3.21 -0.18 0.00 0.00 0.00 0.00 44.72 47.76 1ttf s GLY 37 CO -0.03 1.65 1.14 -1.83 0.00 0.00 0.00 173.10 174.04 1ttf s GLU 38 N -0.31 -0.67 0.31 2.90 1.03 -1.26 -2.47 118.70 118.22 1ttf s GLU 38 Ca 0.07 -0.04 -0.29 0.00 0.03 0.00 0.00 54.97 54.74 1ttf s GLU 38 Cb -0.04 -1.66 -0.11 0.00 -0.80 0.00 0.00 34.13 31.53 1ttf s GLU 38 CO -0.12 -3.35 1.46 0.99 -1.33 0.00 0.00 175.26 172.90 1ttf s THR 39 N -3.15 2.40 0.00 1.83 2.01 -1.26 -4.41 115.64 113.07 1ttf s THR 39 Ca 0.70 0.36 0.00 0.00 0.31 0.00 0.00 61.69 63.07 1ttf s THR 39 Cb -0.10 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1ttf s THR 39 CO 0.56 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 1ttf n GLY 40 N 1.49 -0.23 1.62 4.40 0.00 -1.26 -4.96 105.19 106.26 1ttf n GLY 40 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.59 0.02 -0.02 0.00 -1.26 -4.84 105.19 100.68 1ttf n GLY 41 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.48 -2.68 1.61 4.13 -1.26 -4.66 115.26 112.87 1ttf n ASN 42 Ca 0.00 0.03 -0.04 0.00 1.68 0.00 0.00 54.58 56.25 1ttf n ASN 42 Cb 0.00 0.04 0.04 0.00 -1.54 0.00 0.00 39.78 38.31 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1ttf n SER 43 N -1.70 -1.75 -4.60 6.41 2.88 -1.26 -5.16 113.62 108.44 1ttf n SER 43 Ca 0.05 -1.39 -0.30 0.00 -1.33 0.00 0.00 58.87 55.91 1ttf n SER 43 Cb 0.37 0.90 0.20 0.00 -0.75 0.00 0.00 64.21 64.93 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 0.84 0.27 0.00 -1.46 0.02 -1.26 -4.92 135.00 128.49 1ttf s PRO 44 Ca 0.25 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.56 1ttf s PRO 44 Cb 0.13 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.99 1ttf s PRO 44 CO -0.10 -3.06 0.23 0.28 -0.33 0.00 0.00 177.00 174.02 1ttf n VAL 45 N -4.50 0.00 -2.95 3.83 0.31 -1.18 -5.02 118.33 108.81 1ttf n VAL 45 Ca 0.08 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 1ttf n VAL 45 Cb 0.53 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 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 -0.72 0.00 -3.77 5.55 7.27 -1.14 -5.06 117.38 119.52 1ttf n GLN 46 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1ttf n GLN 46 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 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 -0.05 1.49 -0.27 3.69 1.03 -1.26 -1.97 118.70 121.37 1ttf s GLU 47 Ca 0.00 -0.80 -0.24 0.00 0.03 0.00 0.00 54.97 53.96 1ttf s GLU 47 Cb 0.00 0.53 0.07 0.00 -0.80 0.00 0.00 34.13 33.93 1ttf s GLU 47 CO 0.00 -0.68 0.71 -0.59 -1.33 0.00 0.00 175.26 173.37 1ttf s PHE 48 N -3.64 -0.80 0.33 4.83 -0.71 -0.81 -5.00 117.98 112.17 1ttf s PHE 48 Ca 0.10 1.93 0.07 0.00 -1.04 0.00 0.00 56.93 58.00 1ttf s PHE 48 Cb -0.04 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1ttf s PHE 48 CO 0.03 -0.39 0.32 0.95 -1.34 0.00 0.00 175.22 174.79 1ttf s THR 49 N 0.47 3.70 0.02 -4.49 -4.23 -1.26 -2.35 115.64 107.49 1ttf s THR 49 Ca -0.01 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 1ttf s THR 49 Cb -0.05 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.56 1ttf s THR 49 CO -0.01 -0.18 0.25 0.68 -0.54 0.00 0.00 174.62 174.82 1ttf s VAL 50 N -2.27 0.08 -1.56 2.29 -7.23 -0.95 -4.96 120.40 105.80 1ttf s VAL 50 Ca 0.41 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1ttf s VAL 50 Cb -0.07 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1ttf s VAL 50 CO 0.27 -0.38 0.14 -2.65 -0.31 0.00 0.00 175.10 172.17 1ttf n PRO 51 N 0.96 0.00 -0.57 4.82 -0.01 -1.26 -0.99 135.00 137.94 1ttf n PRO 51 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.29 1ttf n PRO 51 Cb 0.58 -1.17 0.00 0.00 -0.01 0.00 0.00 33.50 32.89 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ttf n GLY 52 N -0.56 1.74 0.12 -1.23 0.00 -1.26 -4.44 105.19 99.56 1ttf n GLY 52 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1ttf n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ttf h SER 53 N 0.00 0.00 -3.55 1.61 0.02 -1.92 -3.42 113.55 106.29 1ttf h SER 53 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1ttf h SER 53 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1ttf h SER 53 CO 0.00 0.67 0.92 -0.54 -1.14 0.00 0.00 176.83 176.74 1ttf s LYS 54 N -2.98 3.64 0.39 3.45 3.01 -1.26 -4.85 119.74 121.14 1ttf s LYS 54 Ca 0.02 0.42 0.23 0.00 -1.01 0.00 0.00 55.97 55.64 1ttf s LYS 54 Cb 0.09 -3.95 0.33 0.00 -1.01 0.00 0.00 37.83 33.29 1ttf s LYS 54 CO 0.77 -1.47 1.55 0.77 0.51 0.00 0.00 175.35 177.47 1ttf h SER 55 N 9.32 0.00 -4.72 2.83 0.02 -1.92 -3.45 113.55 115.63 1ttf h SER 55 Ca -0.24 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.42 1ttf h SER 55 Cb 1.06 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.39 1ttf h SER 55 CO 1.14 0.00 -0.74 0.42 -1.14 0.00 0.00 176.83 176.51 1ttf s THR 56 N -3.22 0.63 0.23 -2.27 -4.23 -1.26 -2.71 115.64 102.81 1ttf s THR 56 Ca 0.06 -1.12 -0.15 0.00 -1.18 0.00 0.00 61.69 59.30 1ttf s THR 56 Cb 0.06 -0.69 0.01 0.00 1.34 0.00 0.00 72.50 73.22 1ttf s THR 56 CO 0.68 -0.36 0.52 0.00 -0.54 0.00 0.00 174.62 174.91 1ttf s ALA 57 N -1.38 -0.56 0.25 3.99 0.00 -1.05 -5.05 121.76 117.96 1ttf s ALA 57 Ca -0.09 -0.63 0.11 0.00 0.00 0.00 0.00 51.96 51.36 1ttf s ALA 57 Cb -0.10 0.96 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1ttf s ALA 57 CO 0.01 -0.86 -0.13 0.99 0.00 0.00 0.00 175.76 175.76 1ttf s THR 58 N -3.96 2.85 0.04 0.00 2.01 -1.26 -2.25 115.64 113.06 1ttf s THR 58 Ca 0.17 -2.10 -0.05 0.00 0.31 0.00 0.00 61.69 60.03 1ttf s THR 58 Cb -0.01 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 1ttf s THR 58 CO 0.05 -0.31 0.07 -0.63 -0.69 0.00 0.00 174.62 173.12 1ttf s ILE 59 N -2.21 0.14 -0.01 1.82 1.01 0.11 -4.98 121.20 117.07 1ttf s ILE 59 Ca 0.28 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ttf s ILE 59 Cb -0.06 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1ttf s ILE 59 CO 0.16 -0.64 0.01 -0.44 0.00 0.00 0.00 174.94 174.02 1ttf s SER 60 N -2.17 0.10 0.00 3.58 0.01 -1.26 -0.32 113.70 113.64 1ttf s SER 60 Ca -0.04 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1ttf s SER 60 Cb -0.01 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1ttf s SER 60 CO -0.05 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1ttf n GLY 61 N 3.55 0.48 3.92 3.44 0.00 -1.25 -5.04 105.19 110.28 1ttf n GLY 61 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1ttf n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ttf s LEU 62 N 0.00 3.00 -0.01 0.99 1.02 -1.26 -5.10 118.68 117.32 1ttf s LEU 62 Ca 0.00 -1.01 0.07 0.00 0.02 0.00 0.00 54.13 53.21 1ttf s LEU 62 Cb 0.00 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.63 1ttf s LEU 62 CO 0.00 -0.99 -0.21 -0.54 0.02 0.00 0.00 176.35 174.62 1ttf s LYS 63 N -4.30 2.18 -0.58 1.70 3.01 -1.26 -5.05 119.74 115.45 1ttf s LYS 63 Ca 0.44 -0.89 -0.27 0.00 -1.01 0.00 0.00 55.97 54.24 1ttf s LYS 63 Cb -0.03 -2.16 -0.10 0.00 -1.01 0.00 0.00 37.83 34.53 1ttf s LYS 63 CO 0.27 0.57 2.47 -2.30 0.51 0.00 0.00 175.35 176.86 1ttf n PRO 64 N 2.17 0.85 -2.11 -1.68 -0.01 -1.26 -3.82 135.00 129.14 1ttf n PRO 64 Ca -0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.31 1ttf n PRO 64 Cb 0.52 -3.06 -0.01 0.00 -0.01 0.00 0.00 33.50 30.93 1ttf n PRO 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ttf n GLY 65 N 6.11 -3.94 3.44 -1.23 0.00 -1.26 -5.09 105.19 103.21 1ttf n GLY 65 Ca 0.43 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.60 0.00 0.43 1.61 0.11 -0.27 -5.06 120.40 116.62 1ttf s VAL 66 Ca -0.08 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.73 1ttf s VAL 66 Cb 0.01 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 1ttf s VAL 66 CO 0.42 0.00 1.09 -0.62 -3.33 0.00 0.00 175.10 172.66 1ttf s ASP 67 N -2.58 6.52 -0.03 3.54 -1.08 -1.26 -2.25 116.67 119.53 1ttf s ASP 67 Ca 0.00 2.12 -0.07 0.00 -0.52 0.00 0.00 52.55 54.09 1ttf s ASP 67 Cb -0.01 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.87 1ttf s ASP 67 CO -0.11 -0.66 0.16 -0.31 0.52 0.00 0.00 175.17 174.77 1ttf s TYR 68 N -1.64 -0.08 -0.10 -5.34 2.02 -0.73 -4.23 117.35 107.25 1ttf s TYR 68 Ca 0.60 0.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.49 1ttf s TYR 68 Cb -0.24 0.01 0.01 0.00 -0.40 0.00 0.00 41.96 41.34 1ttf s TYR 68 CO 0.29 -0.20 -0.15 0.99 -1.57 0.00 0.00 175.55 174.91 1ttf s THR 69 N -0.68 1.49 0.10 -0.71 2.01 -1.03 -1.44 115.64 115.38 1ttf s THR 69 Ca -0.08 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.34 1ttf s THR 69 Cb -0.05 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1ttf s THR 69 CO 0.01 0.44 -0.06 -0.51 -0.69 0.00 0.00 174.62 173.81 1ttf s ILE 70 N 0.92 3.60 -0.04 1.82 2.07 -1.10 -2.47 121.20 126.02 1ttf s ILE 70 Ca -0.08 -1.18 -0.01 0.00 -1.41 0.00 0.00 60.65 57.97 1ttf s ILE 70 Cb -0.15 -2.70 0.03 0.00 0.13 0.00 0.00 42.46 39.77 1ttf s ILE 70 CO -0.01 0.10 0.03 -0.89 -1.91 0.00 0.00 174.94 172.27 1ttf s THR 71 N -1.27 0.01 -0.13 4.00 2.01 0.62 -2.62 115.64 118.26 1ttf s THR 71 Ca 0.23 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.50 1ttf s THR 71 Cb -0.11 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 1ttf s THR 71 CO 0.15 0.15 -0.13 0.54 -0.69 0.00 0.00 174.62 174.65 1ttf s VAL 72 N 1.60 3.06 -0.35 3.82 0.11 -1.08 -0.09 120.40 127.48 1ttf s VAL 72 Ca -0.02 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1ttf s VAL 72 Cb -0.13 -2.28 0.08 0.00 -1.53 0.00 0.00 36.38 32.52 1ttf s VAL 72 CO -0.03 0.53 0.09 -0.47 -3.33 0.00 0.00 175.10 171.89 1ttf s TYR 73 N 0.32 3.43 -0.14 1.54 6.14 0.68 -2.82 117.35 126.50 1ttf s TYR 73 Ca -0.10 -2.13 -0.17 0.00 0.64 0.00 0.00 57.07 55.31 1ttf s TYR 73 Cb -0.16 -2.62 -0.04 0.00 0.42 0.00 0.00 41.96 39.56 1ttf s TYR 73 CO 0.06 -0.88 0.41 0.00 0.64 0.00 0.00 175.55 175.78 1ttf s ALA 74 N 1.19 3.52 -0.04 3.97 0.00 -1.26 -1.47 121.76 127.67 1ttf s ALA 74 Ca 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1ttf s ALA 74 Cb -0.21 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.37 1ttf s ALA 74 CO -0.03 0.01 -0.03 0.08 0.00 0.00 0.00 175.76 175.79 1ttf s VAL 75 N 0.63 0.41 0.00 0.00 1.01 -1.05 -4.54 120.40 116.86 1ttf s VAL 75 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1ttf s VAL 75 Cb -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1ttf s VAL 75 CO 0.08 0.19 0.00 0.41 0.00 0.00 0.00 175.10 175.78 1ttf n THR 76 N 3.97 0.00 -1.66 3.92 -1.04 -1.26 -2.10 114.28 116.11 1ttf n THR 76 Ca -0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1ttf n THR 76 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 77 N 2.81 -4.43 3.93 3.41 0.00 -1.26 -4.61 105.19 105.05 1ttf n GLY 77 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 1ttf n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttf s ARG 78 N -4.58 2.24 5.09 1.61 0.52 -1.26 -4.90 118.95 117.66 1ttf s ARG 78 Ca 0.00 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.21 1ttf s ARG 78 Cb 0.00 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1ttf s ARG 78 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.01 1ttf n GLY 79 N -1.89 1.21 2.04 -3.53 0.00 -1.26 -4.33 105.19 97.44 1ttf n GLY 79 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 9.62 -0.70 -4.64 1.61 5.75 -1.26 -5.10 116.55 121.83 1ttf n ASP 80 Ca 0.00 0.19 -0.50 0.00 -0.01 0.00 0.00 54.79 54.47 1ttf n ASP 80 Cb 0.00 0.92 -0.05 0.00 -1.03 0.00 0.00 41.12 40.96 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ttf n SER 81 N -2.73 2.50 -4.68 -1.12 7.64 -1.26 -4.84 113.62 109.13 1ttf n SER 81 Ca 0.00 1.08 -0.42 0.00 1.01 0.00 0.00 58.87 60.54 1ttf n SER 81 Cb 0.00 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 61.87 1ttf n SER 81 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ttf s PRO 82 N 1.36 4.16 -0.04 1.43 0.04 -1.26 -4.72 135.00 135.97 1ttf s PRO 82 Ca 0.84 2.47 0.06 0.00 0.04 0.00 0.00 61.00 64.41 1ttf s PRO 82 Cb -0.83 -3.82 0.09 0.00 0.04 0.00 0.00 34.50 29.98 1ttf s PRO 82 CO 0.46 -0.85 0.95 0.00 0.04 0.00 0.00 177.00 177.60 1ttf n ALA 83 N 6.43 1.88 -3.88 8.56 0.00 -1.26 -4.94 120.51 127.30 1ttf n ALA 83 Ca 0.18 -1.39 -0.31 0.00 0.00 0.00 0.00 53.44 51.92 1ttf n ALA 83 Cb 0.40 -0.28 -0.12 0.00 0.00 0.00 0.00 19.45 19.45 1ttf n ALA 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ttf s SER 84 N -1.36 4.71 -0.80 0.00 0.01 -1.26 -4.81 113.70 110.18 1ttf s SER 84 Ca 0.10 -3.30 0.02 0.00 1.31 0.00 0.00 55.95 54.07 1ttf s SER 84 Cb 0.08 -1.69 0.21 0.00 0.21 0.00 0.00 66.02 64.84 1ttf s SER 84 CO 0.01 -0.20 0.70 -1.20 0.41 0.00 0.00 173.24 172.96 1ttf n SER 85 N 2.75 3.79 -3.16 2.44 7.64 -1.26 -4.68 113.62 121.14 1ttf n SER 85 Ca 0.11 -3.23 -0.20 0.00 1.01 0.00 0.00 58.87 56.56 1ttf n SER 85 Cb 0.34 -0.89 -0.04 0.00 -1.01 0.00 0.00 64.21 62.61 1ttf n SER 85 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ttf n LYS 86 N 1.90 1.29 -1.33 1.43 4.76 -1.26 -5.12 118.16 119.83 1ttf n LYS 86 Ca 0.22 -3.60 -0.31 0.00 -2.87 0.00 0.00 58.31 51.76 1ttf n LYS 86 Cb 0.37 -1.73 0.08 0.00 -1.84 0.00 0.00 35.03 31.91 1ttf n LYS 86 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ttf s PRO 87 N -2.41 2.35 -0.15 1.97 0.04 -1.26 -4.65 135.00 130.89 1ttf s PRO 87 Ca 0.41 1.09 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 1ttf s PRO 87 Cb 0.31 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 33.00 1ttf s PRO 87 CO -0.09 -1.55 0.35 -1.50 0.04 0.00 0.00 177.00 174.25 1ttf s ILE 88 N -2.94 -0.11 0.15 0.56 2.07 -1.13 -5.06 121.20 114.75 1ttf s ILE 88 Ca 0.61 0.13 0.11 0.00 -1.41 0.00 0.00 60.65 60.08 1ttf s ILE 88 Cb -0.16 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 1ttf s ILE 88 CO 0.56 0.05 -0.24 -0.94 -1.91 0.00 0.00 174.94 172.46 1ttf s SER 89 N 1.52 3.22 -0.09 4.50 1.04 -1.26 -2.62 113.70 120.01 1ttf s SER 89 Ca -0.08 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 55.44 1ttf s SER 89 Cb -0.10 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.83 1ttf s SER 89 CO -0.11 0.12 0.31 0.27 0.98 0.00 0.00 173.24 174.81 1ttf s ILE 90 N -1.39 0.02 0.28 -1.02 -4.36 -1.08 -5.05 121.20 108.59 1ttf s ILE 90 Ca 0.16 -0.13 -0.04 0.00 -0.26 0.00 0.00 60.65 60.37 1ttf s ILE 90 Cb -0.09 -0.48 -0.05 0.00 1.25 0.00 0.00 42.46 43.09 1ttf s ILE 90 CO 0.07 -0.07 0.53 0.54 0.24 0.00 0.00 174.94 176.25 1ttf s ASN 91 N -0.22 6.44 -0.28 4.36 4.22 -1.26 -2.69 114.94 125.50 1ttf s ASN 91 Ca -0.04 0.67 -0.18 0.00 -2.14 0.00 0.00 52.86 51.18 1ttf s ASN 91 Cb -0.03 -2.12 0.11 0.00 1.28 0.00 0.00 41.25 40.48 1ttf s ASN 91 CO 0.01 -0.17 0.84 -0.47 -2.04 0.00 0.00 177.10 175.27 1ttf s TYR 92 N -2.05 -0.79 -0.31 1.54 5.04 -0.52 -4.98 117.35 115.27 1ttf s TYR 92 Ca 0.43 1.63 -0.21 0.00 -2.44 0.00 0.00 57.07 56.49 1ttf s TYR 92 Cb -0.11 0.47 -0.01 0.00 0.35 0.00 0.00 41.96 42.66 1ttf s TYR 92 CO 0.30 -0.39 0.66 1.03 -1.34 0.00 0.00 175.55 175.80 1ttf s ARG 93 N 1.29 3.90 0.00 4.97 0.52 -1.26 -1.77 118.95 126.60 1ttf s ARG 93 Ca -0.08 0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.53 1ttf s ARG 93 Cb -0.04 -3.73 0.05 0.00 0.52 0.00 0.00 34.95 31.74 1ttf s ARG 93 CO -0.15 -0.59 0.69 0.25 0.02 0.00 0.00 175.30 175.52