#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 0.70 0.00 -1.34 0.01 -1.26 -4.98 113.70 106.84 1ttf s SER 2 Ca 0.00 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1ttf s SER 2 Cb 0.00 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1ttf s SER 2 CO 0.00 -4.35 0.00 0.47 0.41 0.00 0.00 173.24 169.77 1ttf n ASP 3 N -5.00 0.00 -4.74 2.44 8.00 -1.26 -5.00 116.55 110.99 1ttf n ASP 3 Ca 0.04 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.14 1ttf n ASP 3 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.00 4.86 1.13 2.53 1.01 -1.26 -5.04 120.40 123.63 1ttf s VAL 4 Ca 0.00 1.47 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 1ttf s VAL 4 Cb 0.00 -4.04 0.15 0.00 0.00 0.00 0.00 36.38 32.48 1ttf s VAL 4 CO 0.00 0.35 0.16 -2.65 0.00 0.00 0.00 175.10 172.96 1ttf n PRO 5 N 3.01 -2.00 -3.59 2.72 -0.02 -1.26 -5.03 135.00 128.84 1ttf n PRO 5 Ca -0.03 -0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 60.67 1ttf n PRO 5 Cb 0.51 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1ttf n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ttf n ARG 6 N -2.43 1.16 -1.98 -0.52 1.74 -1.26 -5.03 116.66 108.34 1ttf n ARG 6 Ca 0.02 -2.35 -0.30 0.00 -0.77 0.00 0.00 57.85 54.45 1ttf n ARG 6 Cb 0.58 0.56 -0.04 0.00 -1.02 0.00 0.00 32.46 32.53 1ttf n ARG 6 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1ttf s ASP 7 N -2.85 5.06 0.94 0.55 1.47 -1.26 -4.75 116.67 115.84 1ttf s ASP 7 Ca 0.04 -0.16 -0.17 0.00 1.18 0.00 0.00 52.55 53.43 1ttf s ASP 7 Cb -0.00 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 40.04 1ttf s ASP 7 CO 0.02 -2.71 -0.40 0.18 0.68 0.00 0.00 175.17 172.94 1ttf n LEU 8 N 13.99 -2.22 -3.60 2.11 4.77 -1.26 -4.98 117.00 125.81 1ttf n LEU 8 Ca 0.33 -0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1ttf n LEU 8 Cb 0.49 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1ttf n LEU 8 CO 0.64 -2.75 0.26 -0.70 -1.33 0.00 0.00 177.39 173.52 1ttf s GLU 9 N -2.74 0.98 -0.09 3.23 2.12 -0.61 -5.01 118.70 116.58 1ttf s GLU 9 Ca 0.34 -0.14 -0.22 0.00 0.36 0.00 0.00 54.97 55.31 1ttf s GLU 9 Cb -0.01 0.45 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 1ttf s GLU 9 CO 0.45 -0.33 0.65 0.08 -0.54 0.00 0.00 175.26 175.58 1ttf s VAL 10 N -2.03 5.07 -0.15 3.70 1.01 -1.26 -2.34 120.40 124.39 1ttf s VAL 10 Ca -0.08 1.33 -0.13 0.00 0.00 0.00 0.00 61.98 63.10 1ttf s VAL 10 Cb -0.01 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 1ttf s VAL 10 CO 0.01 0.24 -0.27 0.52 0.00 0.00 0.00 175.10 175.60 1ttf n VAL 11 N 3.90 1.34 -4.05 2.92 0.31 -1.01 -4.99 118.33 116.74 1ttf n VAL 11 Ca -0.02 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.23 1ttf n VAL 11 Cb 0.51 -2.02 -0.09 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.58 0.42 -0.40 3.52 0.00 -1.15 -5.03 121.76 116.54 1ttf s ALA 12 Ca -0.25 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.61 1ttf s ALA 12 Cb 0.06 0.47 0.16 0.00 0.00 0.00 0.00 23.12 23.82 1ttf s ALA 12 CO 0.35 -0.44 0.43 0.00 0.00 0.00 0.00 175.76 176.10 1ttf s ALA 13 N -3.94 -0.50 0.72 0.00 0.00 -1.26 -0.43 121.76 116.35 1ttf s ALA 13 Ca 0.11 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1ttf s ALA 13 Cb 0.07 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 21.10 1ttf s ALA 13 CO -0.07 -2.14 1.09 0.95 0.00 0.00 0.00 175.76 175.59 1ttf s THR 14 N 1.19 3.41 -1.30 0.00 -4.23 0.16 -4.84 115.64 110.03 1ttf s THR 14 Ca 0.21 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1ttf s THR 14 Cb -0.10 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1ttf s THR 14 CO -0.05 -0.54 0.70 -0.81 -0.54 0.00 0.00 174.62 173.38 1ttf n PRO 15 N -3.09 0.00 -1.71 3.99 -0.04 -1.26 -1.80 135.00 131.09 1ttf n PRO 15 Ca 0.09 0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 1ttf n PRO 15 Cb 0.53 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ttf n THR 16 N -1.20 0.18 -3.37 0.52 -2.24 -1.26 -4.95 114.28 101.96 1ttf n THR 16 Ca 0.00 -0.90 0.02 0.00 -2.27 0.00 0.00 64.05 60.90 1ttf n THR 16 Cb 0.03 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.73 -0.33 -0.20 3.42 0.15 -0.75 -4.50 113.70 109.77 1ttf s SER 17 Ca 0.16 0.47 -0.13 0.00 0.70 0.00 0.00 55.95 57.15 1ttf s SER 17 Cb 0.24 1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 65.85 1ttf s SER 17 CO -0.08 -0.07 0.24 -0.22 1.20 0.00 0.00 173.24 174.32 1ttf s LEU 18 N 2.05 4.18 -0.19 3.45 1.98 0.12 0.38 118.68 130.66 1ttf s LEU 18 Ca -0.03 0.34 -0.04 0.00 -2.89 0.00 0.00 54.13 51.52 1ttf s LEU 18 Cb -0.03 -2.27 -0.02 0.00 0.66 0.00 0.00 46.19 44.53 1ttf s LEU 18 CO -0.16 0.07 -0.03 -0.22 -1.89 0.00 0.00 176.35 174.12 1ttf s LEU 19 N 0.79 3.12 0.39 -0.68 2.96 0.43 -0.15 118.68 125.53 1ttf s LEU 19 Ca 0.13 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1ttf s LEU 19 Cb -0.13 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1ttf s LEU 19 CO 0.04 0.08 0.08 0.27 -1.32 0.00 0.00 176.35 175.49 1ttf s ILE 20 N 0.89 1.01 -0.28 6.68 -4.36 -0.84 -2.41 121.20 121.89 1ttf s ILE 20 Ca -0.00 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.16 1ttf s ILE 20 Cb -0.15 -2.55 0.09 0.00 1.25 0.00 0.00 42.46 41.11 1ttf s ILE 20 CO 0.01 0.00 0.82 -0.94 0.24 0.00 0.00 174.94 175.08 1ttf s SER 21 N -3.60 -0.68 0.00 4.36 1.04 -0.99 -2.30 113.70 111.53 1ttf s SER 21 Ca 0.27 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1ttf s SER 21 Cb 0.05 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.44 1ttf s SER 21 CO 0.14 -0.21 0.00 -2.67 0.98 0.00 0.00 173.24 171.48 1ttf n TRP 22 N 2.96 0.00 -3.00 5.02 2.14 -0.92 -1.57 117.44 122.08 1ttf n TRP 22 Ca -0.15 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.22 1ttf n TRP 22 Cb 0.56 0.00 0.06 0.00 -0.81 0.00 0.00 31.31 31.12 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 1.00 5.14 0.00 -0.67 2.15 -1.26 -4.82 116.67 118.21 1ttf s ASP 23 Ca 0.00 -0.74 0.00 0.00 0.43 0.00 0.00 52.55 52.24 1ttf s ASP 23 Cb 0.00 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 1ttf s ASP 23 CO 0.00 -1.28 0.00 0.00 -0.17 0.00 0.00 175.17 173.72 1ttf n ALA 24 N -2.22 0.00 -0.50 3.66 0.00 -1.26 -4.85 120.51 115.34 1ttf n ALA 24 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 1ttf n ALA 24 Cb 0.61 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.28 1ttf n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ttf n PRO 25 N 0.00 -4.01 -0.01 0.00 -0.02 -1.26 -4.90 135.00 124.79 1ttf n PRO 25 Ca 0.00 -1.12 0.13 0.00 -2.02 0.00 0.00 63.50 60.50 1ttf n PRO 25 Cb 0.00 -1.40 0.47 0.00 -0.02 0.00 0.00 33.50 32.55 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 -5.05 2.56 -0.46 3.55 0.00 -1.26 -4.93 120.51 114.91 1ttf n ALA 26 Ca -0.15 -0.48 -0.28 0.00 0.00 0.00 0.00 53.44 52.53 1ttf n ALA 26 Cb 0.45 -1.12 0.27 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.96 1.92 -0.26 0.00 0.11 -1.26 -4.78 120.40 114.17 1ttf s VAL 27 Ca 0.37 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.14 1ttf s VAL 27 Cb 0.20 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1ttf s VAL 27 CO 0.32 0.00 2.15 -0.89 -3.33 0.00 0.00 175.10 173.35 1ttf s THR 28 N -2.38 3.10 -0.00 5.04 2.01 -1.26 -4.95 115.64 117.20 1ttf s THR 28 Ca 0.69 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.84 1ttf s THR 28 Cb -0.25 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1ttf s THR 28 CO 0.65 -0.09 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 1ttf s VAL 29 N 8.30 1.38 0.00 3.82 1.01 -1.26 -4.20 120.40 129.45 1ttf s VAL 29 Ca 0.96 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1ttf s VAL 29 Cb -0.30 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1ttf s VAL 29 CO 0.34 0.32 0.00 0.54 0.00 0.00 0.00 175.10 176.31 1ttf n ARG 30 N 2.47 0.00 -4.02 2.72 1.74 -1.14 -4.94 116.66 113.48 1ttf n ARG 30 Ca -0.15 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 56.84 1ttf n ARG 30 Cb 0.54 -0.25 -0.05 0.00 -1.02 0.00 0.00 32.46 31.68 1ttf n ARG 30 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ttf s TYR 31 N -0.09 0.54 0.15 -1.55 2.02 -1.00 -4.13 117.35 113.30 1ttf s TYR 31 Ca 0.00 -0.88 0.04 0.00 -0.37 0.00 0.00 57.07 55.86 1ttf s TYR 31 Cb 0.00 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.63 1ttf s TYR 31 CO 0.00 -1.02 -0.09 0.71 -1.57 0.00 0.00 175.55 173.58 1ttf s TYR 32 N -3.78 1.27 -0.06 2.71 1.51 -0.72 -2.68 117.35 115.61 1ttf s TYR 32 Ca 0.25 -0.79 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1ttf s TYR 32 Cb -0.00 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1ttf s TYR 32 CO 0.11 0.05 0.05 1.03 -1.11 0.00 0.00 175.55 175.69 1ttf s ARG 33 N -3.77 0.03 -0.30 -0.62 0.52 -1.10 -1.53 118.95 112.18 1ttf s ARG 33 Ca 0.18 0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 55.60 1ttf s ARG 33 Cb 0.03 -0.69 -0.01 0.00 0.52 0.00 0.00 34.95 34.81 1ttf s ARG 33 CO 0.01 -0.35 0.13 0.42 0.02 0.00 0.00 175.30 175.53 1ttf s ILE 34 N 2.14 4.48 -0.08 1.52 1.01 -0.72 -0.83 121.20 128.72 1ttf s ILE 34 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1ttf s ILE 34 Cb -0.12 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1ttf s ILE 34 CO -0.04 0.09 -0.09 0.42 0.00 0.00 0.00 174.94 175.32 1ttf s THR 35 N 1.59 3.53 0.02 2.92 -4.23 -0.49 -2.45 115.64 116.54 1ttf s THR 35 Ca 0.04 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1ttf s THR 35 Cb -0.17 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1ttf s THR 35 CO 0.05 0.58 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.96 1ttf s TYR 36 N -0.57 0.30 -0.16 3.99 1.13 -0.85 -1.51 117.35 119.68 1ttf s TYR 36 Ca 0.08 -0.46 -0.32 0.00 -1.41 0.00 0.00 57.07 54.97 1ttf s TYR 36 Cb -0.12 -0.20 0.14 0.00 -1.10 0.00 0.00 41.96 40.68 1ttf s TYR 36 CO 0.02 -0.15 1.12 0.20 -2.51 0.00 0.00 175.55 174.23 1ttf s GLY 37 N -1.28 -0.27 0.41 5.49 0.00 -1.04 -2.81 107.32 107.81 1ttf s GLY 37 Ca -0.13 1.74 -0.26 0.00 0.00 0.00 0.00 44.72 46.07 1ttf s GLY 37 CO -0.01 0.67 1.27 1.85 0.00 0.00 0.00 173.10 176.89 1ttf s GLU 38 N -2.10 3.97 0.55 2.90 2.12 -1.26 -1.90 118.70 122.98 1ttf s GLU 38 Ca 0.06 2.09 -0.19 0.00 0.36 0.00 0.00 54.97 57.29 1ttf s GLU 38 Cb -0.01 -2.73 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 1ttf s GLU 38 CO -0.05 -0.47 1.14 0.99 -0.54 0.00 0.00 175.26 176.33 1ttf s THR 39 N -1.29 3.07 0.00 -1.70 2.01 -1.25 -4.14 115.64 112.34 1ttf s THR 39 Ca 0.57 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.24 1ttf s THR 39 Cb -0.36 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1ttf s THR 39 CO 0.47 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1ttf n GLY 40 N 0.21 1.12 3.45 4.40 0.00 -1.26 -4.71 105.19 108.40 1ttf n GLY 40 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.52 0.00 -0.02 0.00 -1.26 -4.92 105.19 98.47 1ttf n GLY 41 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.73 0.00 -3.45 1.61 3.02 -1.26 -4.94 115.26 107.52 1ttf n ASN 42 Ca -0.03 0.12 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 1ttf n ASN 42 Cb 0.57 -0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 39.32 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ttf s SER 43 N -2.58 2.71 0.28 6.41 0.01 -1.26 -5.12 113.70 114.15 1ttf s SER 43 Ca 0.00 -2.33 -0.30 0.00 1.31 0.00 0.00 55.95 54.63 1ttf s SER 43 Cb 0.00 -0.40 -0.11 0.00 0.21 0.00 0.00 66.02 65.72 1ttf s SER 43 CO 0.00 -0.29 1.60 -2.84 0.41 0.00 0.00 173.24 172.12 1ttf s PRO 44 N 0.91 4.13 0.00 12.44 0.02 -1.26 -4.51 135.00 146.73 1ttf s PRO 44 Ca 0.20 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1ttf s PRO 44 Cb -0.19 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1ttf s PRO 44 CO -0.02 -0.64 0.47 0.28 -0.33 0.00 0.00 177.00 176.76 1ttf n VAL 45 N 2.37 0.00 -2.63 3.83 0.31 -1.13 -4.98 118.33 116.09 1ttf n VAL 45 Ca 0.09 0.97 0.00 0.00 -0.01 0.00 0.00 64.34 65.39 1ttf n VAL 45 Cb 0.37 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 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 -0.49 0.00 -3.46 5.55 7.27 -1.13 -5.05 117.38 120.07 1ttf n GLN 46 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 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 1.03 1.08 0.12 3.69 -1.05 -1.26 -2.01 118.70 120.30 1ttf s GLU 47 Ca 0.00 -0.32 -0.09 0.00 -0.15 0.00 0.00 54.97 54.41 1ttf s GLU 47 Cb 0.00 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1ttf s GLU 47 CO 0.00 -0.46 0.23 -0.59 0.95 0.00 0.00 175.26 175.39 1ttf s PHE 48 N -3.20 0.29 0.19 4.83 -0.71 -1.03 -5.00 117.98 113.35 1ttf s PHE 48 Ca 0.01 -0.69 0.09 0.00 -1.04 0.00 0.00 56.93 55.31 1ttf s PHE 48 Cb -0.01 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1ttf s PHE 48 CO -0.09 -0.62 -0.11 0.95 -1.34 0.00 0.00 175.22 174.01 1ttf s THR 49 N -3.92 3.11 0.08 -4.49 -4.23 -1.26 -1.76 115.64 103.17 1ttf s THR 49 Ca 0.11 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1ttf s THR 49 Cb 0.04 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 1ttf s THR 49 CO -0.06 -0.13 -0.06 0.68 -0.54 0.00 0.00 174.62 174.51 1ttf s VAL 50 N -1.75 0.55 -2.00 2.29 -7.23 -0.58 -4.97 120.40 106.70 1ttf s VAL 50 Ca 0.25 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1ttf s VAL 50 Cb -0.08 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.44 1ttf s VAL 50 CO 0.15 -0.81 0.13 -0.81 -0.31 0.00 0.00 175.10 173.45 1ttf n PRO 51 N 0.30 0.06 -1.06 4.82 -0.04 -1.26 -1.75 135.00 136.06 1ttf n PRO 51 Ca -0.15 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 1ttf n PRO 51 Cb 0.60 -1.06 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.49 0.59 0.08 0.55 0.00 -1.26 -4.51 105.19 100.14 1ttf n GLY 52 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.62 1.61 0.02 -1.88 -3.46 113.55 107.22 1ttf h SER 53 Ca -0.13 -0.14 -0.54 0.00 -0.84 0.00 0.00 61.79 60.15 1ttf h SER 53 Cb 0.92 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.48 1ttf h SER 53 CO 0.19 0.93 1.05 -0.54 -1.14 0.00 0.00 176.83 177.32 1ttf s LYS 54 N -2.24 4.18 0.00 3.45 1.02 -1.26 -4.83 119.74 120.06 1ttf s LYS 54 Ca -0.18 2.35 0.05 0.00 0.02 0.00 0.00 55.97 58.21 1ttf s LYS 54 Cb 0.03 -3.75 0.29 0.00 -0.52 0.00 0.00 37.83 33.88 1ttf s LYS 54 CO 0.31 -0.79 1.16 0.45 -0.92 0.00 0.00 175.35 175.56 1ttf n SER 55 N 6.16 0.00 -4.27 2.83 2.88 -1.26 -4.78 113.62 115.18 1ttf n SER 55 Ca 0.17 -1.80 -0.17 0.00 -1.33 0.00 0.00 58.87 55.74 1ttf n SER 55 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 1ttf n SER 55 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ttf s THR 56 N -2.00 1.37 0.26 2.46 -4.23 -1.26 -2.18 115.64 110.06 1ttf s THR 56 Ca 0.07 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.42 1ttf s THR 56 Cb 0.03 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 72.10 1ttf s THR 56 CO 0.06 -0.60 0.62 0.00 -0.54 0.00 0.00 174.62 174.16 1ttf s ALA 57 N -2.83 -0.91 0.10 3.99 0.00 -0.97 -5.00 121.76 116.13 1ttf s ALA 57 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 1ttf s ALA 57 Cb -0.01 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1ttf s ALA 57 CO 0.03 -0.95 0.09 -0.08 0.00 0.00 0.00 175.76 174.85 1ttf s THR 58 N -3.94 0.15 0.01 0.00 -1.32 -1.26 -1.99 115.64 107.29 1ttf s THR 58 Ca 0.14 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 1ttf s THR 58 Cb -0.04 -1.64 -0.01 0.00 -1.51 0.00 0.00 72.50 69.30 1ttf s THR 58 CO 0.06 -0.68 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.14 1ttf s ILE 59 N -3.94 0.08 -0.03 5.08 1.01 0.79 -4.97 121.20 119.21 1ttf s ILE 59 Ca 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1ttf s ILE 59 Cb 0.06 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.41 1ttf s ILE 59 CO -0.06 -0.16 0.14 -0.55 0.00 0.00 0.00 174.94 174.31 1ttf s SER 60 N -0.52 -0.08 0.00 3.58 0.15 -1.26 0.15 113.70 115.71 1ttf s SER 60 Ca -0.05 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ttf s SER 60 Cb -0.04 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1ttf s SER 60 CO -0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1ttf n GLY 61 N 2.48 0.55 0.60 9.45 0.00 -1.26 -5.06 105.19 111.95 1ttf n GLY 61 Ca -0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.99 0.99 -0.00 -1.26 -5.09 117.00 107.65 1ttf n LEU 62 Ca 0.00 -0.56 -0.32 0.00 -0.00 0.00 0.00 56.01 55.13 1ttf n LEU 62 Cb 0.00 0.18 -0.13 0.00 -0.00 0.00 0.00 43.42 43.47 1ttf n LEU 62 CO 0.00 -0.09 -0.11 -0.54 -0.00 0.00 0.00 177.39 176.65 1ttf s LYS 63 N -2.28 2.17 0.54 1.47 -0.14 -1.26 -5.09 119.74 115.15 1ttf s LYS 63 Ca 0.04 -2.62 -0.22 0.00 -1.36 0.00 0.00 55.97 51.80 1ttf s LYS 63 Cb 0.00 -3.45 -0.05 0.00 -1.68 0.00 0.00 37.83 32.65 1ttf s LYS 63 CO 0.03 -1.13 1.34 -2.30 -0.76 0.00 0.00 175.35 172.52 1ttf n PRO 64 N 3.18 1.67 -1.33 -1.68 -0.02 -1.26 -3.85 135.00 131.71 1ttf n PRO 64 Ca 0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1ttf n PRO 64 Cb 0.34 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 0.78 0.78 3.51 -1.23 0.00 -0.62 -5.09 105.19 103.32 1ttf n GLY 65 Ca 0.10 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.41 0.00 0.43 1.61 0.11 -0.90 -5.04 120.40 114.21 1ttf s VAL 66 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1ttf s VAL 66 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 1ttf s VAL 66 CO 0.00 0.00 1.36 -0.62 -3.33 0.00 0.00 175.10 172.51 1ttf s ASP 67 N -2.20 6.05 -0.09 3.54 -1.08 -1.26 -2.54 116.67 119.09 1ttf s ASP 67 Ca 0.02 2.78 -0.06 0.00 -0.52 0.00 0.00 52.55 54.78 1ttf s ASP 67 Cb -0.01 -2.64 0.03 0.00 -1.46 0.00 0.00 42.92 38.84 1ttf s ASP 67 CO -0.07 -1.04 0.22 -0.31 0.52 0.00 0.00 175.17 174.49 1ttf s TYR 68 N -1.24 -0.26 -0.14 -5.34 2.02 -0.90 -3.95 117.35 107.53 1ttf s TYR 68 Ca 0.60 0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 57.91 1ttf s TYR 68 Cb -0.41 0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 1ttf s TYR 68 CO 0.52 -0.16 -0.02 0.99 -1.57 0.00 0.00 175.55 175.30 1ttf s THR 69 N 0.65 4.03 0.21 -0.71 2.01 -0.80 -1.96 115.64 119.07 1ttf s THR 69 Ca -0.04 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.73 1ttf s THR 69 Cb -0.06 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1ttf s THR 69 CO -0.04 0.52 -0.18 0.27 -0.69 0.00 0.00 174.62 174.51 1ttf s ILE 70 N 0.04 1.98 -0.13 1.82 -5.25 -1.10 -2.49 121.20 116.06 1ttf s ILE 70 Ca 0.01 -2.14 -0.06 0.00 -0.99 0.00 0.00 60.65 57.46 1ttf s ILE 70 Cb -0.13 -2.04 0.06 0.00 2.95 0.00 0.00 42.46 43.30 1ttf s ILE 70 CO 0.02 -0.42 0.31 -0.89 -1.79 0.00 0.00 174.94 172.17 1ttf s THR 71 N -2.46 -0.14 -0.09 8.37 2.01 -0.57 -2.34 115.64 120.42 1ttf s THR 71 Ca 0.22 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 1ttf s THR 71 Cb -0.04 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1ttf s THR 71 CO 0.09 0.06 -0.02 0.68 -0.69 0.00 0.00 174.62 174.74 1ttf s VAL 72 N 1.60 4.10 -0.09 3.82 -7.23 -0.96 -1.39 120.40 120.24 1ttf s VAL 72 Ca -0.07 -0.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.76 1ttf s VAL 72 Cb -0.10 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1ttf s VAL 72 CO -0.10 0.58 0.01 -0.31 -0.31 0.00 0.00 175.10 174.97 1ttf s TYR 73 N -0.64 3.19 -0.30 2.82 1.51 -0.01 -2.59 117.35 121.34 1ttf s TYR 73 Ca 0.10 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.40 1ttf s TYR 73 Cb -0.12 -1.80 0.08 0.00 -0.11 0.00 0.00 41.96 40.01 1ttf s TYR 73 CO 0.02 0.48 -0.02 0.00 -1.11 0.00 0.00 175.55 174.92 1ttf s ALA 74 N -0.86 2.61 -0.23 3.71 0.00 -1.26 -2.71 121.76 123.01 1ttf s ALA 74 Ca 0.13 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1ttf s ALA 74 Cb -0.11 -1.75 0.06 0.00 0.00 0.00 0.00 23.12 21.32 1ttf s ALA 74 CO 0.02 -1.44 -0.04 0.08 0.00 0.00 0.00 175.76 174.38 1ttf s VAL 75 N 1.06 1.39 0.00 0.00 1.01 -1.09 -4.48 120.40 118.30 1ttf s VAL 75 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1ttf s VAL 75 Cb -0.19 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1ttf s VAL 75 CO -0.07 -0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.26 1ttf n THR 76 N 4.72 0.00 0.00 3.92 -2.24 -1.26 -2.37 114.28 117.05 1ttf n THR 76 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ttf n THR 76 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttf n GLY 77 N 5.00 2.20 0.04 3.38 0.00 -1.26 -4.25 105.19 110.30 1ttf n GLY 77 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1ttf n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ttf n ARG 78 N -0.36 1.05 0.00 1.61 0.63 -1.24 -4.67 116.66 113.68 1ttf n ARG 78 Ca 0.00 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1ttf n ARG 78 Cb 0.00 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1ttf n ARG 78 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ttf n GLY 79 N 0.61 0.91 0.41 5.14 0.00 -1.26 -4.93 105.19 106.07 1ttf n GLY 79 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.75 1.61 5.75 -1.26 -5.13 116.55 112.77 1ttf n ASP 80 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 1ttf n ASP 80 Cb 0.00 0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.16 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ttf s SER 81 N -1.63 7.14 -0.50 -1.12 1.04 -1.26 -4.92 113.70 112.45 1ttf s SER 81 Ca 0.00 2.28 -0.27 0.00 0.48 0.00 0.00 55.95 58.44 1ttf s SER 81 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1ttf s SER 81 CO 0.00 -0.29 2.11 -2.16 0.98 0.00 0.00 173.24 173.88 1ttf s PRO 82 N -0.86 2.52 1.30 4.02 0.04 -1.26 -3.63 135.00 137.14 1ttf s PRO 82 Ca 0.49 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.47 1ttf s PRO 82 Cb -0.33 -4.45 0.32 0.00 0.04 0.00 0.00 34.50 30.09 1ttf s PRO 82 CO 0.40 -2.82 1.01 0.00 0.04 0.00 0.00 177.00 175.63 1ttf s ALA 83 N 10.09 -0.23 1.29 8.56 0.00 -1.26 -4.99 121.76 135.22 1ttf s ALA 83 Ca 0.84 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 1ttf s ALA 83 Cb -0.17 -2.97 0.32 0.00 0.00 0.00 0.00 23.12 20.29 1ttf s ALA 83 CO 0.25 -4.11 1.02 -1.54 0.00 0.00 0.00 175.76 171.39 1ttf s SER 84 N -3.30 0.09 0.00 0.00 1.04 -1.26 -4.81 113.70 105.45 1ttf s SER 84 Ca 0.69 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1ttf s SER 84 Cb -0.14 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1ttf s SER 84 CO 0.58 -4.66 0.00 -1.54 0.98 0.00 0.00 173.24 168.61 1ttf n SER 85 N -5.14 0.00 -1.82 7.02 3.41 -1.26 -4.63 113.62 111.19 1ttf n SER 85 Ca 0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1ttf n SER 85 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1ttf n SER 85 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ttf n LYS 86 N -0.44 -0.29 -1.06 4.33 4.76 -1.26 -4.68 118.16 119.52 1ttf n LYS 86 Ca 0.00 0.72 -0.29 0.00 -2.87 0.00 0.00 58.31 55.87 1ttf n LYS 86 Cb 0.00 -2.39 0.20 0.00 -1.84 0.00 0.00 35.03 31.01 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 -2.87 -0.18 -0.03 1.97 0.05 -1.26 -4.75 135.00 127.93 1ttf s PRO 87 Ca 0.00 0.42 -0.02 0.00 0.05 0.00 0.00 61.00 61.45 1ttf s PRO 87 Cb -0.00 -1.67 0.01 0.00 0.05 0.00 0.00 34.50 32.89 1ttf s PRO 87 CO 0.16 -3.12 0.08 -1.50 0.05 0.00 0.00 177.00 172.67 1ttf s ILE 88 N -2.90 -0.01 0.18 0.56 2.07 -1.07 -5.02 121.20 115.01 1ttf s ILE 88 Ca 0.67 0.05 0.07 0.00 -1.41 0.00 0.00 60.65 60.03 1ttf s ILE 88 Cb -0.18 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1ttf s ILE 88 CO 0.58 0.02 -0.14 -0.94 -1.91 0.00 0.00 174.94 172.55 1ttf s SER 89 N 0.32 2.35 -0.05 4.50 1.04 -1.26 -2.27 113.70 118.33 1ttf s SER 89 Ca -0.02 -0.97 -0.20 0.00 0.48 0.00 0.00 55.95 55.24 1ttf s SER 89 Cb -0.04 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.02 1ttf s SER 89 CO -0.01 -0.18 0.45 0.27 0.98 0.00 0.00 173.24 174.75 1ttf s ILE 90 N -2.79 0.03 0.32 -1.02 -4.36 -0.99 -5.02 121.20 107.37 1ttf s ILE 90 Ca 0.18 -0.25 -0.03 0.00 -0.26 0.00 0.00 60.65 60.30 1ttf s ILE 90 Cb -0.01 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 1ttf s ILE 90 CO 0.05 -0.13 0.56 0.54 0.24 0.00 0.00 174.94 176.19 1ttf s ASN 91 N -1.01 6.37 -0.29 4.36 4.22 -1.26 -2.71 114.94 124.63 1ttf s ASN 91 Ca -0.10 0.62 -0.24 0.00 -2.14 0.00 0.00 52.86 51.00 1ttf s ASN 91 Cb -0.03 -2.10 0.15 0.00 1.28 0.00 0.00 41.25 40.55 1ttf s ASN 91 CO 0.05 -0.25 1.18 -0.47 -2.04 0.00 0.00 177.10 175.58 1ttf s TYR 92 N -2.20 -0.32 -0.27 1.54 5.04 -0.83 -5.00 117.35 115.32 1ttf s TYR 92 Ca 0.42 0.75 -0.28 0.00 -2.44 0.00 0.00 57.07 55.52 1ttf s TYR 92 Cb -0.10 0.39 0.01 0.00 0.35 0.00 0.00 41.96 42.61 1ttf s TYR 92 CO 0.33 -0.15 1.03 1.03 -1.34 0.00 0.00 175.55 176.44 1ttf s ARG 93 N 0.31 4.17 0.00 4.97 0.52 -1.26 -2.13 118.95 125.54 1ttf s ARG 93 Ca 0.03 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 1ttf s ARG 93 Cb -0.05 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1ttf s ARG 93 CO -0.11 -0.72 0.46 0.25 0.02 0.00 0.00 175.30 175.20