#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 -0.08 4.52 3.41 -1.26 -4.97 113.62 115.23 1ttf n SER 2 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1ttf n SER 2 Cb 0.00 0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1ttf n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ttf n ASP 3 N -2.06 0.55 -4.12 4.04 8.00 -1.26 -4.72 116.55 116.97 1ttf n ASP 3 Ca 0.00 -1.49 -0.34 0.00 0.71 0.00 0.00 54.79 53.68 1ttf n ASP 3 Cb 0.00 -0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 40.91 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 -0.37 2.76 0.00 2.53 1.01 -1.26 -4.67 120.40 120.40 1ttf s VAL 4 Ca 0.02 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1ttf s VAL 4 Cb 0.02 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1ttf s VAL 4 CO 0.00 -0.24 0.00 -0.81 0.00 0.00 0.00 175.10 174.05 1ttf n PRO 5 N 4.53 0.00 -3.90 2.72 -0.04 -1.26 -3.96 135.00 133.08 1ttf n PRO 5 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1ttf n PRO 5 Cb 0.43 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.00 0.88 -0.56 0.54 1.70 0.66 -4.89 118.95 117.29 1ttf s ARG 6 Ca 0.00 -0.56 -0.23 0.00 -0.47 0.00 0.00 55.73 54.47 1ttf s ARG 6 Cb 0.00 0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 34.49 1ttf s ARG 6 CO 0.00 -0.41 1.66 -0.25 -1.08 0.00 0.00 175.30 175.21 1ttf n ASP 7 N -1.10 0.28 -4.67 -2.89 8.00 -1.26 -2.23 116.55 112.68 1ttf n ASP 7 Ca -0.01 0.21 -0.49 0.00 0.71 0.00 0.00 54.79 55.22 1ttf n ASP 7 Cb 0.59 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ttf n LEU 8 N 6.29 3.04 -3.59 0.64 7.94 -1.26 -4.73 117.00 125.34 1ttf n LEU 8 Ca 0.41 1.04 -0.05 0.00 -1.11 0.00 0.00 56.01 56.30 1ttf n LEU 8 Cb 0.01 -1.36 -0.02 0.00 0.53 0.00 0.00 43.42 42.58 1ttf n LEU 8 CO 0.60 -0.28 0.97 -0.70 -1.11 0.00 0.00 177.39 176.87 1ttf s GLU 9 N 2.39 0.37 -0.04 1.96 2.12 -0.72 -4.99 118.70 119.79 1ttf s GLU 9 Ca 0.87 -0.12 -0.17 0.00 0.36 0.00 0.00 54.97 55.91 1ttf s GLU 9 Cb -0.74 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 33.76 1ttf s GLU 9 CO 0.47 -0.16 0.47 0.08 -0.54 0.00 0.00 175.26 175.57 1ttf s VAL 10 N -2.39 5.05 -0.17 3.70 1.01 -1.26 -2.45 120.40 123.89 1ttf s VAL 10 Ca 0.08 0.95 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1ttf s VAL 10 Cb -0.01 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1ttf s VAL 10 CO -0.05 0.46 -0.26 0.52 0.00 0.00 0.00 175.10 175.77 1ttf n VAL 11 N 2.63 1.47 -4.02 2.92 0.31 -1.11 -5.00 118.33 115.53 1ttf n VAL 11 Ca -0.10 0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 1ttf n VAL 11 Cb 0.52 -2.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.05 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf s ALA 12 N -2.80 0.01 -0.42 3.52 0.00 -1.25 -5.03 121.76 115.79 1ttf s ALA 12 Ca -0.24 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.76 1ttf s ALA 12 Cb 0.04 1.09 0.17 0.00 0.00 0.00 0.00 23.12 24.42 1ttf s ALA 12 CO 0.35 -0.78 0.39 0.00 0.00 0.00 0.00 175.76 175.72 1ttf s ALA 13 N -4.03 0.83 0.85 0.00 0.00 -1.26 -2.16 121.76 115.98 1ttf s ALA 13 Ca 0.24 -2.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.00 1ttf s ALA 13 Cb 0.01 -1.76 0.10 0.00 0.00 0.00 0.00 23.12 21.47 1ttf s ALA 13 CO 0.08 -2.02 1.10 0.95 0.00 0.00 0.00 175.76 175.87 1ttf s THR 14 N 0.27 2.83 -0.70 0.00 -4.23 0.11 -4.82 115.64 109.09 1ttf s THR 14 Ca 0.31 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1ttf s THR 14 Cb 0.01 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1ttf s THR 14 CO -0.16 -0.35 0.87 -2.65 -0.54 0.00 0.00 174.62 171.79 1ttf n PRO 15 N -3.83 0.00 -2.69 3.99 -0.01 -1.26 -2.27 135.00 128.94 1ttf n PRO 15 Ca 0.09 0.36 -0.04 0.00 -0.01 0.00 0.00 63.50 63.90 1ttf n PRO 15 Cb 0.53 -1.65 0.12 0.00 -0.01 0.00 0.00 33.50 32.49 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1ttf n THR 16 N -1.38 0.05 -3.20 3.45 -1.04 -1.26 -4.94 114.28 105.97 1ttf n THR 16 Ca -0.00 -1.31 0.04 0.00 -2.04 0.00 0.00 64.05 60.74 1ttf n THR 16 Cb 0.14 1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.63 1ttf n THR 16 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ttf s SER 17 N -1.27 -0.26 -0.31 8.00 0.15 -0.96 -4.60 113.70 114.44 1ttf s SER 17 Ca 0.16 0.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.00 1ttf s SER 17 Cb 0.42 1.26 0.03 0.00 -1.71 0.00 0.00 66.02 66.02 1ttf s SER 17 CO -0.11 -0.05 0.08 -0.22 1.20 0.00 0.00 173.24 174.14 1ttf s LEU 18 N 2.59 4.04 -0.20 3.45 2.96 0.10 0.04 118.68 131.66 1ttf s LEU 18 Ca -0.03 -0.97 -0.23 0.00 -0.22 0.00 0.00 54.13 52.69 1ttf s LEU 18 Cb -0.06 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1ttf s LEU 18 CO -0.13 -0.26 0.72 -0.22 -1.32 0.00 0.00 176.35 175.14 1ttf s LEU 19 N 1.42 4.13 0.08 -0.68 1.98 -0.92 -2.53 118.68 122.17 1ttf s LEU 19 Ca -0.00 0.94 0.07 0.00 -2.89 0.00 0.00 54.13 52.26 1ttf s LEU 19 Cb -0.18 -3.03 -0.03 0.00 0.66 0.00 0.00 46.19 43.61 1ttf s LEU 19 CO 0.02 -0.36 -0.20 0.27 -1.89 0.00 0.00 176.35 174.19 1ttf s ILE 20 N 2.21 1.61 -0.02 6.68 -5.25 -0.98 -2.75 121.20 122.70 1ttf s ILE 20 Ca 0.32 -1.39 0.02 0.00 -0.99 0.00 0.00 60.65 58.62 1ttf s ILE 20 Cb -0.16 -1.45 0.00 0.00 2.95 0.00 0.00 42.46 43.80 1ttf s ILE 20 CO 0.10 0.01 -0.09 -0.44 -1.79 0.00 0.00 174.94 172.73 1ttf s SER 21 N -1.63 1.17 0.17 4.36 0.01 -1.02 -1.44 113.70 115.32 1ttf s SER 21 Ca 0.06 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1ttf s SER 21 Cb -0.09 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1ttf s SER 21 CO 0.03 0.07 0.02 -2.67 0.41 0.00 0.00 173.24 171.10 1ttf n TRP 22 N 3.23 0.13 -4.02 2.43 2.14 -1.11 -1.75 117.44 118.50 1ttf n TRP 22 Ca -0.17 -0.82 -0.10 0.00 2.07 0.00 0.00 57.50 58.47 1ttf n TRP 22 Cb 0.55 -0.12 -0.07 0.00 -0.81 0.00 0.00 31.31 30.86 1ttf n TRP 22 CO 0.00 0.00 0.00 0.16 2.07 0.00 0.00 177.69 179.92 1ttf s ASP 23 N -1.95 0.00 -0.03 -0.67 -4.77 -0.95 -0.24 116.67 108.06 1ttf s ASP 23 Ca 0.02 -1.00 -0.29 0.00 -3.30 0.00 0.00 52.55 47.98 1ttf s ASP 23 Cb -0.00 0.49 0.10 0.00 -1.09 0.00 0.00 42.92 42.42 1ttf s ASP 23 CO 0.01 -0.99 1.30 0.00 0.70 0.00 0.00 175.17 176.19 1ttf s ALA 24 N -4.03 -2.52 1.00 2.11 0.00 -1.26 -4.85 121.76 112.21 1ttf s ALA 24 Ca 0.24 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1ttf s ALA 24 Cb 0.02 0.91 0.19 0.00 0.00 0.00 0.00 23.12 24.24 1ttf s ALA 24 CO 0.06 -1.16 1.08 -2.14 0.00 0.00 0.00 175.76 173.61 1ttf s PRO 25 N -2.02 0.41 -0.46 0.00 0.02 -1.26 -4.73 135.00 126.95 1ttf s PRO 25 Ca 0.30 1.03 -0.02 0.00 0.02 0.00 0.00 61.00 62.33 1ttf s PRO 25 Cb -0.00 -1.69 0.24 0.00 0.02 0.00 0.00 34.50 33.07 1ttf s PRO 25 CO -0.01 -2.88 2.18 0.00 -0.33 0.00 0.00 177.00 175.96 1ttf n ALA 26 N -4.35 5.78 -2.15 -1.55 0.00 -1.26 -4.75 120.51 112.23 1ttf n ALA 26 Ca 0.07 -2.53 -0.21 0.00 0.00 0.00 0.00 53.44 50.77 1ttf n ALA 26 Cb 0.54 -1.67 0.03 0.00 0.00 0.00 0.00 19.45 18.35 1ttf n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ttf s VAL 27 N -3.05 2.13 -0.60 0.00 0.11 -1.26 -4.99 120.40 112.75 1ttf s VAL 27 Ca 0.46 -1.17 -0.28 0.00 -2.93 0.00 0.00 61.98 58.07 1ttf s VAL 27 Cb 0.35 -2.29 0.03 0.00 -1.53 0.00 0.00 36.38 32.93 1ttf s VAL 27 CO -0.08 0.00 1.19 0.42 -3.33 0.00 0.00 175.10 173.30 1ttf s THR 28 N -2.65 4.00 -0.24 5.04 -4.23 -1.26 -4.79 115.64 111.51 1ttf s THR 28 Ca 0.52 0.82 -0.09 0.00 -1.18 0.00 0.00 61.69 61.77 1ttf s THR 28 Cb -0.05 -4.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.01 1ttf s THR 28 CO 0.33 -1.39 0.11 -0.69 -0.54 0.00 0.00 174.62 172.43 1ttf s VAL 29 N 4.99 4.81 0.07 2.29 1.01 -1.26 -4.78 120.40 127.54 1ttf s VAL 29 Ca 0.42 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 1ttf s VAL 29 Cb -0.08 -3.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 1ttf s VAL 29 CO 0.24 0.35 1.53 0.03 0.00 0.00 0.00 175.10 177.26 1ttf h ARG 30 N 7.73 0.30 -3.07 2.72 2.47 -1.72 -3.46 114.38 119.35 1ttf h ARG 30 Ca -0.37 -0.08 0.04 0.00 -1.26 0.00 0.00 59.98 58.31 1ttf h ARG 30 Cb 1.18 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 29.40 1ttf h ARG 30 CO 0.62 0.47 0.19 1.52 0.56 0.00 0.00 179.97 183.33 1ttf s TYR 31 N -5.14 -0.18 0.35 3.04 -0.85 -1.08 -4.42 117.35 109.08 1ttf s TYR 31 Ca -0.14 -0.24 0.08 0.00 -0.52 0.00 0.00 57.07 56.26 1ttf s TYR 31 Cb 0.06 0.63 -0.05 0.00 0.38 0.00 0.00 41.96 42.99 1ttf s TYR 31 CO 0.72 -1.16 0.10 0.71 -1.52 0.00 0.00 175.55 174.40 1ttf s TYR 32 N -3.91 2.62 -0.29 -3.49 1.51 -0.30 -2.49 117.35 111.01 1ttf s TYR 32 Ca 0.11 -0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1ttf s TYR 32 Cb -0.05 -1.64 0.11 0.00 -0.11 0.00 0.00 41.96 40.27 1ttf s TYR 32 CO 0.04 0.37 0.17 1.03 -1.11 0.00 0.00 175.55 176.05 1ttf s ARG 33 N -3.80 0.22 -0.17 -0.62 0.52 -0.54 -2.42 118.95 112.14 1ttf s ARG 33 Ca 0.37 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 1ttf s ARG 33 Cb -0.00 -1.06 -0.05 0.00 0.52 0.00 0.00 34.95 34.36 1ttf s ARG 33 CO 0.21 -1.02 0.21 0.42 0.02 0.00 0.00 175.30 175.15 1ttf s ILE 34 N 2.16 5.36 -0.03 1.52 1.09 -0.52 -1.47 121.20 129.30 1ttf s ILE 34 Ca 0.09 0.37 0.04 0.00 -1.10 0.00 0.00 60.65 60.05 1ttf s ILE 34 Cb -0.16 -3.54 -0.01 0.00 -1.06 0.00 0.00 42.46 37.70 1ttf s ILE 34 CO -0.36 0.44 -0.16 0.42 -0.10 0.00 0.00 174.94 175.19 1ttf s THR 35 N 0.21 1.32 0.06 2.92 -4.23 -0.91 -1.40 115.64 113.61 1ttf s THR 35 Ca 0.13 -0.67 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 1ttf s THR 35 Cb -0.12 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.57 1ttf s THR 35 CO 0.02 0.38 0.05 -0.72 -0.54 0.00 0.00 174.62 173.81 1ttf s TYR 36 N -0.07 0.38 0.00 3.99 1.13 -0.88 -2.00 117.35 119.91 1ttf s TYR 36 Ca -0.01 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.77 1ttf s TYR 36 Cb -0.10 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1ttf s TYR 36 CO 0.01 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 173.03 1ttf n GLY 37 N 0.10 3.23 3.77 5.49 0.00 -1.00 -2.24 105.19 114.54 1ttf n GLY 37 Ca -0.15 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1ttf n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ttf s GLU 38 N -2.00 2.64 0.52 1.61 -1.05 -1.26 -2.55 118.70 116.62 1ttf s GLU 38 Ca 0.00 1.28 -0.19 0.00 -0.15 0.00 0.00 54.97 55.91 1ttf s GLU 38 Cb 0.00 -1.94 -0.07 0.00 -0.44 0.00 0.00 34.13 31.68 1ttf s GLU 38 CO 0.00 -1.36 1.06 0.99 0.95 0.00 0.00 175.26 176.90 1ttf s THR 39 N -2.58 3.66 0.00 1.83 2.01 -1.26 -4.79 115.64 114.52 1ttf s THR 39 Ca 0.64 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.62 1ttf s THR 39 Cb -0.19 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1ttf s THR 39 CO 0.47 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 1ttf n GLY 40 N -0.32 -1.74 0.00 4.40 0.00 -1.26 -5.00 105.19 101.27 1ttf n GLY 40 Ca 0.10 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.11 0.12 -0.02 0.00 -1.26 -5.04 105.19 98.88 1ttf n GLY 41 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ttf n GLY 41 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ttf h ASN 42 N 0.00 -0.15 0.00 1.61 -1.24 -1.95 -3.48 115.58 110.37 1ttf h ASN 42 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.81 1ttf h ASN 42 Cb 0.00 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1ttf h ASN 42 CO 0.00 0.41 0.00 -1.54 -1.29 0.00 0.00 177.43 175.01 1ttf n SER 43 N -4.88 0.00 -4.50 1.15 3.41 -1.26 -5.16 113.62 102.38 1ttf n SER 43 Ca -0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.27 1ttf n SER 43 Cb 0.17 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.35 1ttf n SER 43 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ttf n PRO 44 N 0.00 -1.87 0.00 4.33 -0.02 -1.26 -4.93 135.00 131.25 1ttf n PRO 44 Ca 0.00 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1ttf n PRO 44 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ttf n VAL 45 N -4.74 0.00 -3.34 -1.45 0.31 -0.95 -4.98 118.33 103.18 1ttf n VAL 45 Ca 0.05 1.30 0.00 0.00 -0.01 0.00 0.00 64.34 65.68 1ttf n VAL 45 Cb 0.54 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 -1.89 0.00 -3.83 5.55 0.00 -1.12 -5.05 117.38 111.05 1ttf n GLN 46 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.93 1ttf n GLN 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1ttf s GLU 47 N -0.83 1.81 -0.15 3.69 -1.05 -1.26 -2.06 118.70 118.85 1ttf s GLU 47 Ca 0.00 -1.09 -0.31 0.00 -0.15 0.00 0.00 54.97 53.42 1ttf s GLU 47 Cb 0.00 0.56 0.13 0.00 -0.44 0.00 0.00 34.13 34.38 1ttf s GLU 47 CO 0.00 -0.84 1.05 -0.59 0.95 0.00 0.00 175.26 175.83 1ttf s PHE 48 N -2.99 -0.29 0.22 4.83 -0.12 -0.49 -5.01 117.98 114.14 1ttf s PHE 48 Ca 0.14 0.39 0.09 0.00 -0.05 0.00 0.00 56.93 57.50 1ttf s PHE 48 Cb -0.05 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1ttf s PHE 48 CO 0.08 -0.33 -0.03 0.95 -0.05 0.00 0.00 175.22 175.84 1ttf s THR 49 N -1.73 3.43 0.08 -4.49 -4.23 -1.26 -1.44 115.64 105.99 1ttf s THR 49 Ca 0.03 -1.74 -0.07 0.00 -1.18 0.00 0.00 61.69 58.72 1ttf s THR 49 Cb -0.01 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 1ttf s THR 49 CO -0.03 -0.25 0.14 0.68 -0.54 0.00 0.00 174.62 174.63 1ttf s VAL 50 N -2.03 0.16 -0.74 2.29 -7.23 -1.01 -4.95 120.40 106.89 1ttf s VAL 50 Ca 0.29 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1ttf s VAL 50 Cb -0.08 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1ttf s VAL 50 CO 0.18 -0.72 0.15 -0.81 -0.31 0.00 0.00 175.10 173.59 1ttf n PRO 51 N -0.01 0.24 -1.34 4.82 -0.04 -1.26 -1.16 135.00 136.26 1ttf n PRO 51 Ca -0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1ttf n PRO 51 Cb 0.62 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.51 0.74 0.10 0.55 0.00 -1.26 -4.75 105.19 101.08 1ttf n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.34 -3.33 1.61 0.02 -1.84 -3.44 113.55 106.91 1ttf h SER 53 Ca -0.18 -0.96 -0.57 0.00 -0.84 0.00 0.00 61.79 59.24 1ttf h SER 53 Cb 0.61 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1ttf h SER 53 CO 0.26 1.30 -0.08 -0.75 -1.14 0.00 0.00 176.83 176.42 1ttf s LYS 54 N -2.38 4.35 0.00 3.45 2.47 -1.26 -4.94 119.74 121.44 1ttf s LYS 54 Ca -0.15 0.56 0.30 0.00 -1.56 0.00 0.00 55.97 55.12 1ttf s LYS 54 Cb 0.00 -3.43 1.50 0.00 -1.46 0.00 0.00 37.83 34.44 1ttf s LYS 54 CO 0.79 0.16 2.03 0.43 0.16 0.00 0.00 175.35 178.92 1ttf n SER 55 N 3.62 0.14 -4.24 1.43 7.64 -1.26 -4.85 113.62 116.11 1ttf n SER 55 Ca -0.06 -0.41 -0.13 0.00 1.01 0.00 0.00 58.87 59.28 1ttf n SER 55 Cb 0.52 -0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.45 0.86 0.24 0.44 -4.23 -1.26 -2.74 115.64 106.50 1ttf s THR 56 Ca 0.32 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 1ttf s THR 56 Cb 0.20 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1ttf s THR 56 CO 0.45 -0.62 0.15 0.00 -0.54 0.00 0.00 174.62 174.06 1ttf s ALA 57 N -3.53 1.41 -0.13 3.99 0.00 -0.52 -5.01 121.76 117.97 1ttf s ALA 57 Ca 0.20 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 1ttf s ALA 57 Cb 0.05 1.34 0.06 0.00 0.00 0.00 0.00 23.12 24.57 1ttf s ALA 57 CO 0.02 -0.58 0.19 0.99 0.00 0.00 0.00 175.76 176.38 1ttf s THR 58 N -3.95 -0.30 0.10 0.00 2.01 -1.26 -2.31 115.64 109.92 1ttf s THR 58 Ca 0.39 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.65 1ttf s THR 58 Cb 0.06 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1ttf s THR 58 CO 0.15 0.03 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.42 1ttf s ILE 59 N 2.32 3.61 0.00 1.82 1.01 -1.05 -4.93 121.20 123.98 1ttf s ILE 59 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1ttf s ILE 59 Cb -0.13 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.64 1ttf s ILE 59 CO -0.08 0.11 0.01 -1.20 0.00 0.00 0.00 174.94 173.78 1ttf n SER 60 N 0.64 0.03 -2.89 3.58 7.64 -1.26 0.01 113.62 121.36 1ttf n SER 60 Ca -0.12 -0.25 -0.35 0.00 1.01 0.00 0.00 58.87 59.16 1ttf n SER 60 Cb 0.52 0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ttf n GLY 61 N 0.13 5.11 1.05 0.23 0.00 -1.26 -4.68 105.19 105.76 1ttf n GLY 61 Ca 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.72 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 0.29 0.00 -3.75 0.99 -0.00 -1.26 -5.09 117.00 108.18 1ttf n LEU 62 Ca 0.52 -0.97 -0.30 0.00 -0.00 0.00 0.00 56.01 55.26 1ttf n LEU 62 Cb 0.36 0.32 -0.15 0.00 -0.00 0.00 0.00 43.42 43.94 1ttf n LEU 62 CO 0.46 -0.15 -0.34 -0.54 -0.00 0.00 0.00 177.39 176.82 1ttf s LYS 63 N -2.49 0.76 0.42 1.47 -0.14 -1.26 -5.06 119.74 113.45 1ttf s LYS 63 Ca 0.06 -0.97 -0.25 0.00 -1.36 0.00 0.00 55.97 53.45 1ttf s LYS 63 Cb 0.00 -2.05 -0.08 0.00 -1.68 0.00 0.00 37.83 34.03 1ttf s LYS 63 CO 0.04 -0.91 1.22 -1.25 -0.76 0.00 0.00 175.35 173.69 1ttf s PRO 64 N 1.64 3.91 0.00 -1.68 0.05 -1.26 -4.33 135.00 133.33 1ttf s PRO 64 Ca 0.07 1.95 0.00 0.00 0.05 0.00 0.00 61.00 63.07 1ttf s PRO 64 Cb -0.17 -2.62 0.00 0.00 0.05 0.00 0.00 34.50 31.75 1ttf s PRO 64 CO -0.21 -0.47 0.00 0.41 0.05 0.00 0.00 177.00 176.78 1ttf n GLY 65 N 0.62 1.14 3.64 0.56 0.00 -0.94 -5.13 105.19 105.08 1ttf n GLY 65 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.00 0.54 1.61 0.11 -0.36 -5.06 120.40 115.24 1ttf s VAL 66 Ca 0.00 -0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 58.51 1ttf s VAL 66 Cb 0.00 -1.58 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1ttf s VAL 66 CO 0.00 0.00 1.38 -0.62 -3.33 0.00 0.00 175.10 172.53 1ttf s ASP 67 N -2.72 5.32 -0.12 3.54 -1.08 -1.26 -2.66 116.67 117.68 1ttf s ASP 67 Ca 0.10 2.80 -0.04 0.00 -0.52 0.00 0.00 52.55 54.89 1ttf s ASP 67 Cb -0.00 -2.64 0.06 0.00 -1.46 0.00 0.00 42.92 38.88 1ttf s ASP 67 CO -0.03 -1.54 0.22 -0.31 0.52 0.00 0.00 175.17 174.02 1ttf s TYR 68 N -1.28 -0.31 -0.12 -5.34 2.02 -0.44 -4.37 117.35 107.51 1ttf s TYR 68 Ca 0.70 0.76 -0.04 0.00 -0.37 0.00 0.00 57.07 58.12 1ttf s TYR 68 Cb -0.41 -0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.95 1ttf s TYR 68 CO 0.49 -0.34 0.03 0.99 -1.57 0.00 0.00 175.55 175.15 1ttf s THR 69 N 2.36 4.52 0.09 -0.71 2.01 -1.06 -1.97 115.64 120.89 1ttf s THR 69 Ca 0.03 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1ttf s THR 69 Cb -0.12 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1ttf s THR 69 CO -0.08 0.57 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.82 1ttf s ILE 70 N -0.50 0.81 -0.11 1.82 2.07 -1.09 -2.38 121.20 121.82 1ttf s ILE 70 Ca 0.09 -1.69 -0.09 0.00 -1.41 0.00 0.00 60.65 57.55 1ttf s ILE 70 Cb -0.12 -1.40 0.03 0.00 0.13 0.00 0.00 42.46 41.10 1ttf s ILE 70 CO 0.02 -0.66 0.29 -0.89 -1.91 0.00 0.00 174.94 171.79 1ttf s THR 71 N -2.77 -0.01 -0.13 4.00 2.01 -0.85 -2.20 115.64 115.69 1ttf s THR 71 Ca 0.06 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 1ttf s THR 71 Cb -0.01 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1ttf s THR 71 CO -0.02 0.01 -0.13 0.68 -0.69 0.00 0.00 174.62 174.47 1ttf s VAL 72 N 0.37 3.02 -0.28 3.82 -7.23 -1.01 -2.14 120.40 116.96 1ttf s VAL 72 Ca -0.02 -0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 1ttf s VAL 72 Cb -0.03 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.66 1ttf s VAL 72 CO -0.02 0.52 0.02 -0.31 -0.31 0.00 0.00 175.10 175.01 1ttf s TYR 73 N 0.36 3.12 -0.70 2.82 1.51 -0.55 -2.75 117.35 121.17 1ttf s TYR 73 Ca -0.11 -1.23 -0.18 0.00 -1.01 0.00 0.00 57.07 54.54 1ttf s TYR 73 Cb -0.16 -2.17 0.12 0.00 -0.11 0.00 0.00 41.96 39.64 1ttf s TYR 73 CO 0.06 -0.64 0.81 0.00 -1.11 0.00 0.00 175.55 174.67 1ttf s ALA 74 N 1.42 3.49 0.02 3.71 0.00 -1.26 -1.46 121.76 127.68 1ttf s ALA 74 Ca 0.01 -2.48 0.02 0.00 0.00 0.00 0.00 51.96 49.51 1ttf s ALA 74 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1ttf s ALA 74 CO -0.00 -2.49 0.02 0.08 0.00 0.00 0.00 175.76 173.36 1ttf s VAL 75 N 2.39 4.24 0.00 0.00 1.01 -1.04 -4.41 120.40 122.60 1ttf s VAL 75 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ttf s VAL 75 Cb -0.18 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1ttf s VAL 75 CO 0.01 0.30 0.00 1.07 0.00 0.00 0.00 175.10 176.48 1ttf n THR 76 N 1.13 0.00 -2.64 3.92 5.66 -1.26 -2.30 114.28 118.79 1ttf n THR 76 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1ttf n THR 76 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 4.43 -0.15 0.60 1.09 0.00 -1.26 -4.24 105.19 105.67 1ttf n GLY 77 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.77 1.11 0.00 1.61 1.74 -1.26 -4.93 116.66 114.15 1ttf n ARG 78 Ca 0.00 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.68 1ttf n ARG 78 Cb 0.00 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.85 0.68 0.00 -0.13 0.00 -1.26 -4.89 105.19 100.44 1ttf n GLY 79 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ttf n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ttf n ASP 80 N 0.00 1.31 -3.45 1.61 -0.08 -1.26 -4.91 116.55 109.78 1ttf n ASP 80 Ca 0.00 -0.12 -0.26 0.00 -1.51 0.00 0.00 54.79 52.90 1ttf n ASP 80 Cb 0.00 0.50 -0.09 0.00 2.34 0.00 0.00 41.12 43.86 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1ttf n SER 81 N -0.63 1.49 -4.62 1.67 7.64 -1.26 -5.08 113.62 112.83 1ttf n SER 81 Ca 0.00 -2.90 -0.43 0.00 1.01 0.00 0.00 58.87 56.55 1ttf n SER 81 Cb 0.00 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 1ttf n SER 81 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ttf s PRO 82 N -1.24 3.48 -0.22 1.43 0.02 -1.26 -4.60 135.00 132.60 1ttf s PRO 82 Ca 0.34 1.93 -0.04 0.00 0.02 0.00 0.00 61.00 63.25 1ttf s PRO 82 Cb 0.09 -4.23 -0.01 0.00 0.02 0.00 0.00 34.50 30.37 1ttf s PRO 82 CO -0.12 -1.69 -0.05 0.00 -0.33 0.00 0.00 177.00 174.81 1ttf s ALA 83 N 6.73 2.80 -0.46 -1.55 0.00 -1.26 -5.04 121.76 122.97 1ttf s ALA 83 Ca 0.88 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1ttf s ALA 83 Cb -0.31 -1.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.04 1ttf s ALA 83 CO 0.35 -0.44 2.38 0.43 0.00 0.00 0.00 175.76 178.48 1ttf n SER 84 N 4.79 2.34 0.00 0.00 7.64 -1.26 -4.71 113.62 122.42 1ttf n SER 84 Ca -0.18 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1ttf n SER 84 Cb 0.51 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1ttf n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ttf n SER 85 N 14.12 0.00 -3.19 6.43 7.64 -1.26 -4.88 113.62 132.48 1ttf n SER 85 Ca 0.38 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 60.04 1ttf n SER 85 Cb 0.46 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.00 0.78 -1.61 1.43 5.02 -1.26 -5.12 118.16 117.40 1ttf n LYS 86 Ca 0.00 -3.25 -0.32 0.00 -2.02 0.00 0.00 58.31 52.72 1ttf n LYS 86 Cb 0.00 -1.34 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1ttf n LYS 86 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ttf s PRO 87 N -1.49 2.78 -0.06 1.97 0.04 -1.26 -4.75 135.00 132.24 1ttf s PRO 87 Ca 0.36 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 1ttf s PRO 87 Cb 0.22 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.81 1ttf s PRO 87 CO -0.10 -1.24 0.15 -1.50 0.04 0.00 0.00 177.00 174.35 1ttf s ILE 88 N -2.74 -0.01 -0.16 0.56 2.07 -1.11 -5.04 121.20 114.77 1ttf s ILE 88 Ca 0.62 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.90 1ttf s ILE 88 Cb -0.17 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.21 1ttf s ILE 88 CO 0.49 0.01 -0.20 -0.94 -1.91 0.00 0.00 174.94 172.39 1ttf s SER 89 N 0.25 3.21 0.06 4.50 1.04 -1.26 -2.39 113.70 119.10 1ttf s SER 89 Ca -0.01 -0.61 0.09 0.00 0.48 0.00 0.00 55.95 55.90 1ttf s SER 89 Cb -0.03 -1.48 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 1ttf s SER 89 CO -0.01 0.04 -0.26 -0.63 0.98 0.00 0.00 173.24 173.36 1ttf s ILE 90 N 1.08 2.10 0.17 -1.02 1.09 -0.94 -5.02 121.20 118.67 1ttf s ILE 90 Ca -0.00 -1.42 -0.01 0.00 -1.10 0.00 0.00 60.65 58.12 1ttf s ILE 90 Cb -0.14 -1.81 -0.04 0.00 -1.06 0.00 0.00 42.46 39.41 1ttf s ILE 90 CO -0.07 0.32 0.35 0.21 -0.10 0.00 0.00 174.94 175.64 1ttf s ASN 91 N -1.33 6.39 -0.28 3.58 3.84 -1.26 -2.67 114.94 123.21 1ttf s ASN 91 Ca 0.12 0.38 -0.21 0.00 0.21 0.00 0.00 52.86 53.36 1ttf s ASN 91 Cb -0.10 -2.00 0.11 0.00 -0.55 0.00 0.00 41.25 38.71 1ttf s ASN 91 CO 0.02 0.01 0.89 -0.47 -2.79 0.00 0.00 177.10 174.76 1ttf s TYR 92 N -1.78 -0.68 -0.20 0.43 6.14 -0.83 -4.97 117.35 115.46 1ttf s TYR 92 Ca 0.38 1.50 -0.13 0.00 0.64 0.00 0.00 57.07 59.46 1ttf s TYR 92 Cb -0.11 0.40 -0.05 0.00 0.42 0.00 0.00 41.96 42.62 1ttf s TYR 92 CO 0.28 -0.33 0.26 -0.98 0.64 0.00 0.00 175.55 175.42 1ttf s ARG 93 N 0.83 4.17 0.00 4.97 1.70 -1.26 -1.33 118.95 128.03 1ttf s ARG 93 Ca -0.03 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1ttf s ARG 93 Cb -0.05 -3.49 0.00 0.00 -0.57 0.00 0.00 34.95 30.85 1ttf s ARG 93 CO -0.10 0.12 0.49 0.25 -1.08 0.00 0.00 175.30 174.99