#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 -0.21 0.00 6.55 0.15 -1.26 -5.01 113.70 113.92 1ttf s SER 2 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1ttf s SER 2 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1ttf s SER 2 CO 0.00 -0.10 0.00 0.47 1.20 0.00 0.00 173.24 174.81 1ttf n ASP 3 N 2.82 0.00 -4.43 5.45 9.92 -1.26 -4.63 116.55 124.42 1ttf n ASP 3 Ca -0.13 0.00 -0.50 0.00 -0.53 0.00 0.00 54.79 53.62 1ttf n ASP 3 Cb 0.58 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.98 1ttf n ASP 3 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1ttf n VAL 4 N 0.00 0.13 -0.58 2.53 0.31 -1.26 -4.92 118.33 114.54 1ttf n VAL 4 Ca 0.00 -0.24 -0.30 0.00 -0.01 0.00 0.00 64.34 63.80 1ttf n VAL 4 Cb 0.00 -1.48 0.27 0.00 -0.91 0.00 0.00 33.84 31.72 1ttf n VAL 4 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ttf n PRO 5 N 8.18 -4.09 -1.19 5.55 -0.05 -1.26 -5.07 135.00 137.06 1ttf n PRO 5 Ca 0.45 -1.56 0.00 0.00 -0.05 0.00 0.00 63.50 62.34 1ttf n PRO 5 Cb 0.20 -1.75 0.00 0.00 -0.05 0.00 0.00 33.50 31.90 1ttf n PRO 5 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1ttf n ARG 6 N -5.33 0.07 -3.18 0.54 1.74 -1.26 -5.09 116.66 104.15 1ttf n ARG 6 Ca 0.14 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 1ttf n ARG 6 Cb 0.58 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.97 1ttf n ARG 6 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ttf n ASP 7 N -1.75 4.35 -3.23 0.55 2.03 -1.26 -5.00 116.55 112.23 1ttf n ASP 7 Ca 0.00 -3.55 0.00 0.00 0.52 0.00 0.00 54.79 51.76 1ttf n ASP 7 Cb 0.00 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1ttf n ASP 7 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ttf n LEU 8 N 0.40 0.00 0.00 -2.67 4.32 -1.26 -5.10 117.00 112.69 1ttf n LEU 8 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1ttf n LEU 8 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1ttf n LEU 8 CO 0.40 -0.07 0.00 -1.84 -1.22 0.00 0.00 177.39 174.67 1ttf n GLU 9 N 0.00 0.00 -2.13 3.23 0.28 -1.15 -5.05 120.64 115.82 1ttf n GLU 9 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1ttf n GLU 9 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1ttf n GLU 9 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ttf s VAL 10 N -2.14 3.27 0.00 3.84 1.01 -1.26 -2.46 120.40 122.66 1ttf s VAL 10 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1ttf s VAL 10 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1ttf s VAL 10 CO 0.00 -0.24 0.05 0.52 0.00 0.00 0.00 175.10 175.43 1ttf n VAL 11 N -1.63 0.00 -3.57 2.92 0.31 -1.05 -4.88 118.33 110.43 1ttf n VAL 11 Ca 0.11 -0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.15 1ttf n VAL 11 Cb 0.51 1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 34.52 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 -0.37 -1.99 0.05 3.52 0.00 -1.19 -5.04 121.76 116.73 1ttf s ALA 12 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 1ttf s ALA 12 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1ttf s ALA 12 CO 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 175.76 175.28 1ttf s ALA 13 N -2.25 0.10 0.08 0.00 0.00 -1.26 -2.09 121.76 116.35 1ttf s ALA 13 Ca 0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1ttf s ALA 13 Cb -0.01 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1ttf s ALA 13 CO -0.05 -0.36 0.01 0.95 0.00 0.00 0.00 175.76 176.32 1ttf s THR 14 N -3.18 0.17 0.62 0.00 -4.23 0.16 -4.97 115.64 104.22 1ttf s THR 14 Ca -0.00 -1.82 0.30 0.00 -1.18 0.00 0.00 61.69 58.99 1ttf s THR 14 Cb 0.02 -1.71 0.35 0.00 1.34 0.00 0.00 72.50 72.51 1ttf s THR 14 CO -0.07 -0.78 2.01 -0.65 -0.54 0.00 0.00 174.62 174.58 1ttf h PRO 15 N 3.02 0.00 -0.36 3.99 0.10 -2.04 -2.78 132.00 133.93 1ttf h PRO 15 Ca -0.34 0.00 -0.23 0.00 0.10 0.00 0.00 66.00 65.53 1ttf h PRO 15 Cb 1.16 0.00 -0.36 0.00 0.10 0.00 0.00 31.00 31.90 1ttf h PRO 15 CO 0.63 0.00 -0.99 0.25 0.10 0.00 0.00 178.00 177.99 1ttf n THR 16 N -3.45 1.07 -3.63 -1.15 -2.24 -1.26 -4.99 114.28 98.63 1ttf n THR 16 Ca 0.02 -2.61 -0.04 0.00 -2.27 0.00 0.00 64.05 59.16 1ttf n THR 16 Cb 0.42 1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 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 -3.38 -0.10 -0.14 3.42 0.15 -1.05 -4.78 113.70 107.82 1ttf s SER 17 Ca 0.24 0.11 -0.01 0.00 0.70 0.00 0.00 55.95 57.00 1ttf s SER 17 Cb 0.34 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1ttf s SER 17 CO -0.05 -0.09 -0.05 -0.22 1.20 0.00 0.00 173.24 174.03 1ttf s LEU 18 N -1.01 1.30 -0.56 3.45 2.96 0.15 0.37 118.68 125.34 1ttf s LEU 18 Ca 0.07 -0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 53.30 1ttf s LEU 18 Cb -0.01 -0.80 0.06 0.00 0.50 0.00 0.00 46.19 45.94 1ttf s LEU 18 CO -0.06 -0.17 0.79 -0.22 -1.32 0.00 0.00 176.35 175.37 1ttf s LEU 19 N 1.72 4.68 0.26 -0.68 0.20 -0.89 -1.58 118.68 122.39 1ttf s LEU 19 Ca 0.03 -0.85 0.02 0.00 0.69 0.00 0.00 54.13 54.02 1ttf s LEU 19 Cb -0.14 -2.53 -0.03 0.00 -0.43 0.00 0.00 46.19 43.06 1ttf s LEU 19 CO -0.08 -1.12 0.42 0.27 -0.29 0.00 0.00 176.35 175.55 1ttf s ILE 20 N 3.28 5.21 -0.10 6.68 -4.36 -0.75 -2.52 121.20 128.62 1ttf s ILE 20 Ca 0.20 -0.69 -0.05 0.00 -0.26 0.00 0.00 60.65 59.86 1ttf s ILE 20 Cb -0.18 -3.83 0.05 0.00 1.25 0.00 0.00 42.46 39.76 1ttf s ILE 20 CO 0.13 -0.35 0.23 -0.94 0.24 0.00 0.00 174.94 174.25 1ttf s SER 21 N -3.78 -0.08 0.00 4.36 1.04 -1.03 -2.56 113.70 111.66 1ttf s SER 21 Ca 0.37 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1ttf s SER 21 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1ttf s SER 21 CO 0.31 -0.18 0.00 -2.67 0.98 0.00 0.00 173.24 171.68 1ttf n TRP 22 N 4.48 0.00 -3.16 5.02 2.14 -0.84 -2.93 117.44 122.15 1ttf n TRP 22 Ca -0.21 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.18 1ttf n TRP 22 Cb 0.52 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 31.07 1ttf n TRP 22 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1ttf n ASP 23 N 0.00 1.94 -3.15 -0.67 2.03 -1.26 -4.78 116.55 110.66 1ttf n ASP 23 Ca 0.00 -2.38 0.05 0.00 0.52 0.00 0.00 54.79 52.98 1ttf n ASP 23 Cb 0.00 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.07 1ttf n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ttf s ALA 24 N -2.62 -3.28 1.28 -1.67 0.00 -1.26 -4.77 121.76 109.44 1ttf s ALA 24 Ca 0.49 1.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.77 1ttf s ALA 24 Cb -0.04 -2.47 0.32 0.00 0.00 0.00 0.00 23.12 20.94 1ttf s ALA 24 CO 0.31 -1.48 0.99 -2.14 0.00 0.00 0.00 175.76 173.44 1ttf s PRO 25 N 2.94 -1.79 -0.04 0.00 0.02 -1.26 -4.97 135.00 129.90 1ttf s PRO 25 Ca 0.04 0.53 0.20 0.00 0.02 0.00 0.00 61.00 61.79 1ttf s PRO 25 Cb -0.11 -1.48 -0.26 0.00 0.02 0.00 0.00 34.50 32.68 1ttf s PRO 25 CO -0.13 -4.22 0.48 0.00 -0.33 0.00 0.00 177.00 172.80 1ttf n ALA 26 N -5.23 2.35 -0.55 -1.55 0.00 -1.26 -4.91 120.51 109.36 1ttf n ALA 26 Ca 0.06 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 1ttf n ALA 26 Cb 0.57 -0.68 0.22 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.50 0.00 -1.83 0.00 0.24 -1.26 -4.75 118.33 108.22 1ttf n VAL 27 Ca -0.11 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.34 61.61 1ttf n VAL 27 Cb 0.75 -0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 32.09 1ttf n VAL 27 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ttf s THR 28 N -2.48 3.22 -0.12 3.34 -1.32 -1.26 -4.92 115.64 112.11 1ttf s THR 28 Ca 0.68 -0.03 -0.22 0.00 -1.21 0.00 0.00 61.69 60.90 1ttf s THR 28 Cb -0.24 -3.55 -0.03 0.00 -1.51 0.00 0.00 72.50 67.17 1ttf s THR 28 CO 0.63 -0.52 0.67 -0.69 -2.21 0.00 0.00 174.62 172.50 1ttf s VAL 29 N 11.26 5.04 0.04 5.08 1.01 -1.26 -4.83 120.40 136.73 1ttf s VAL 29 Ca 0.80 1.35 -0.32 0.00 0.00 0.00 0.00 61.98 63.81 1ttf s VAL 29 Cb -0.12 -4.00 -0.18 0.00 0.00 0.00 0.00 36.38 32.07 1ttf s VAL 29 CO 0.14 0.20 1.37 -0.09 0.00 0.00 0.00 175.10 176.72 1ttf h ARG 30 N 7.01 -1.08 -1.63 2.72 2.43 -1.56 -3.44 114.38 118.83 1ttf h ARG 30 Ca -0.37 0.07 0.29 0.00 -0.81 0.00 0.00 59.98 59.16 1ttf h ARG 30 Cb 1.17 0.25 -0.12 0.00 -0.42 0.00 0.00 29.97 30.85 1ttf h ARG 30 CO 0.77 -0.72 0.76 1.52 -1.51 0.00 0.00 179.97 180.79 1ttf s TYR 31 N -5.40 -0.08 -0.03 2.20 -0.85 -1.07 -4.50 117.35 107.62 1ttf s TYR 31 Ca -0.17 -0.06 0.06 0.00 -0.52 0.00 0.00 57.07 56.38 1ttf s TYR 31 Cb 0.02 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 1ttf s TYR 31 CO 0.53 -0.37 -0.22 0.71 -1.52 0.00 0.00 175.55 174.68 1ttf s TYR 32 N -2.60 2.48 -0.35 -3.49 1.51 -0.03 -2.60 117.35 112.27 1ttf s TYR 32 Ca 0.13 -0.36 -0.07 0.00 -1.01 0.00 0.00 57.07 55.76 1ttf s TYR 32 Cb 0.03 -1.56 0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1ttf s TYR 32 CO -0.03 0.03 0.13 1.03 -1.11 0.00 0.00 175.55 175.60 1ttf s ARG 33 N -0.61 2.64 -0.50 -0.62 1.81 -1.01 -1.85 118.95 118.80 1ttf s ARG 33 Ca 0.09 -1.19 -0.10 0.00 -1.72 0.00 0.00 55.73 52.81 1ttf s ARG 33 Cb -0.11 -3.52 0.13 0.00 -0.45 0.00 0.00 34.95 31.00 1ttf s ARG 33 CO -0.00 -0.69 0.39 0.42 -0.68 0.00 0.00 175.30 174.74 1ttf s ILE 34 N 1.42 4.44 -0.08 1.52 1.09 -1.04 -2.33 121.20 126.23 1ttf s ILE 34 Ca -0.01 -1.79 -0.03 0.00 -1.10 0.00 0.00 60.65 57.71 1ttf s ILE 34 Cb -0.20 -3.90 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 1ttf s ILE 34 CO 0.03 -0.81 0.08 0.42 -0.10 0.00 0.00 174.94 174.56 1ttf s THR 35 N 1.32 4.88 0.12 2.92 -4.23 -1.04 -2.44 115.64 117.17 1ttf s THR 35 Ca 0.06 -0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.41 1ttf s THR 35 Cb -0.26 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1ttf s THR 35 CO -0.00 0.55 0.14 -0.72 -0.54 0.00 0.00 174.62 174.04 1ttf s TYR 36 N -1.02 0.52 0.00 3.99 1.13 -0.61 -1.72 117.35 119.64 1ttf s TYR 36 Ca 0.16 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 1ttf s TYR 36 Cb -0.12 -0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.49 1ttf s TYR 36 CO 0.06 -0.56 0.00 0.41 -2.51 0.00 0.00 175.55 172.95 1ttf n GLY 37 N -0.09 3.08 3.66 5.49 0.00 -0.89 -2.63 105.19 113.80 1ttf n GLY 37 Ca -0.09 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1ttf n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ttf n GLU 38 N -0.81 1.49 -2.55 1.61 0.28 -1.26 -2.20 120.64 117.20 1ttf n GLU 38 Ca 0.00 0.54 -0.35 0.00 -0.16 0.00 0.00 57.16 57.19 1ttf n GLU 38 Cb 0.00 -2.25 -0.04 0.00 1.43 0.00 0.00 31.44 30.59 1ttf n GLU 38 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1ttf s THR 39 N -1.30 3.79 -0.25 3.84 -1.32 -1.04 -4.48 115.64 114.88 1ttf s THR 39 Ca 0.66 1.18 -0.05 0.00 -1.21 0.00 0.00 61.69 62.27 1ttf s THR 39 Cb -0.49 -3.51 0.01 0.00 -1.51 0.00 0.00 72.50 66.99 1ttf s THR 39 CO 0.54 -0.18 0.18 0.61 -2.21 0.00 0.00 174.62 173.57 1ttf n GLY 40 N -0.10 -2.67 0.00 6.08 0.00 -1.26 -5.01 105.19 102.22 1ttf n GLY 40 Ca 0.08 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.12 1.54 1.52 -0.02 0.00 -1.26 -4.99 105.19 102.09 1ttf n GLY 41 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1ttf n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ttf n ASN 42 N 0.00 3.86 -2.80 1.61 2.85 -1.26 -3.96 115.26 115.56 1ttf n ASN 42 Ca 0.00 -2.01 -0.10 0.00 -0.11 0.00 0.00 54.58 52.36 1ttf n ASN 42 Cb 0.00 -0.80 0.04 0.00 1.24 0.00 0.00 39.78 40.26 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ttf n SER 43 N 1.46 -2.43 -4.73 1.20 2.88 -1.26 -5.14 113.62 105.60 1ttf n SER 43 Ca 0.00 -3.28 -0.36 0.00 -1.33 0.00 0.00 58.87 53.90 1ttf n SER 43 Cb 0.39 1.53 0.07 0.00 -0.75 0.00 0.00 64.21 65.45 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 0.38 2.51 0.00 -1.46 0.02 -1.25 -4.88 135.00 130.31 1ttf s PRO 44 Ca 0.31 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1ttf s PRO 44 Cb 0.23 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.90 1ttf s PRO 44 CO -0.21 -1.61 0.35 0.28 -0.33 0.00 0.00 177.00 175.48 1ttf n VAL 45 N -2.04 0.00 -2.68 3.83 0.31 -1.18 -5.00 118.33 111.58 1ttf n VAL 45 Ca 0.15 0.85 0.00 0.00 -0.01 0.00 0.00 64.34 65.33 1ttf n VAL 45 Cb 0.49 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.40 0.00 -3.48 5.55 7.27 -1.08 -5.04 117.38 120.20 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 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 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 0.71 0.99 -0.09 3.69 1.03 -1.26 -1.57 118.70 122.19 1ttf s GLU 47 Ca 0.00 -0.29 -0.12 0.00 0.03 0.00 0.00 54.97 54.59 1ttf s GLU 47 Cb 0.00 0.46 0.03 0.00 -0.80 0.00 0.00 34.13 33.82 1ttf s GLU 47 CO 0.00 -0.42 0.32 -0.59 -1.33 0.00 0.00 175.26 173.24 1ttf s PHE 48 N -3.05 -0.30 0.50 4.83 -0.71 -1.02 -4.99 117.98 113.24 1ttf s PHE 48 Ca 0.02 0.69 -0.00 0.00 -1.04 0.00 0.00 56.93 56.60 1ttf s PHE 48 Cb -0.01 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.92 1ttf s PHE 48 CO -0.08 -0.23 0.74 -0.08 -1.34 0.00 0.00 175.22 174.22 1ttf s THR 49 N -0.26 3.49 -0.02 -4.49 -1.32 -1.26 -2.49 115.64 109.29 1ttf s THR 49 Ca -0.04 -0.49 -0.13 0.00 -1.21 0.00 0.00 61.69 59.82 1ttf s THR 49 Cb -0.03 -3.31 0.02 0.00 -1.51 0.00 0.00 72.50 67.67 1ttf s THR 49 CO 0.01 -0.23 0.28 -0.69 -2.21 0.00 0.00 174.62 171.78 1ttf s VAL 50 N -2.68 0.05 -0.81 5.08 1.01 -0.77 -4.94 120.40 117.33 1ttf s VAL 50 Ca 0.52 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ttf s VAL 50 Cb -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1ttf s VAL 50 CO 0.39 -0.25 0.47 -2.65 0.00 0.00 0.00 175.10 173.06 1ttf n PRO 51 N 1.53 0.00 -0.70 2.72 -0.02 -1.26 -0.85 135.00 136.42 1ttf n PRO 51 Ca -0.21 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1ttf n PRO 51 Cb 0.56 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttf n GLY 52 N -0.97 0.64 0.07 -1.23 0.00 -1.26 -4.29 105.19 98.16 1ttf n GLY 52 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.02 -3.31 1.61 0.87 -1.88 -3.44 113.55 107.42 1ttf h SER 53 Ca 0.00 -0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 59.99 1ttf h SER 53 Cb 0.00 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1ttf h SER 53 CO 0.00 1.02 0.46 -0.75 -0.53 0.00 0.00 176.83 177.04 1ttf s LYS 54 N -2.64 4.50 0.15 2.24 2.47 -1.26 -4.91 119.74 120.29 1ttf s LYS 54 Ca -0.03 1.56 0.24 0.00 -1.56 0.00 0.00 55.97 56.18 1ttf s LYS 54 Cb 0.09 -3.43 0.29 0.00 -1.46 0.00 0.00 37.83 33.32 1ttf s LYS 54 CO 0.82 -0.16 1.29 1.03 0.16 0.00 0.00 175.35 178.50 1ttf h SER 55 N 6.84 0.00 -4.59 1.43 0.87 -1.87 -3.47 113.55 112.76 1ttf h SER 55 Ca -0.40 -0.16 -0.30 0.00 -1.23 0.00 0.00 61.79 59.70 1ttf h SER 55 Cb 1.21 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.98 1ttf h SER 55 CO 0.78 0.08 -0.73 0.42 -0.53 0.00 0.00 176.83 176.85 1ttf s THR 56 N -3.20 0.76 0.18 2.23 -4.23 -1.26 -1.99 115.64 108.12 1ttf s THR 56 Ca 0.05 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 1ttf s THR 56 Cb 0.12 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.95 1ttf s THR 56 CO 0.73 -0.48 0.50 0.00 -0.54 0.00 0.00 174.62 174.83 1ttf s ALA 57 N -1.98 -0.91 -0.25 3.99 0.00 -1.06 -5.04 121.76 116.50 1ttf s ALA 57 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1ttf s ALA 57 Cb -0.06 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1ttf s ALA 57 CO -0.00 -0.77 -0.09 0.99 0.00 0.00 0.00 175.76 175.89 1ttf s THR 58 N -3.86 2.48 -0.09 0.00 2.01 -1.26 -1.81 115.64 113.10 1ttf s THR 58 Ca 0.08 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 60.72 1ttf s THR 58 Cb -0.00 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1ttf s THR 58 CO -0.04 0.08 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.41 1ttf s ILE 59 N 1.21 3.83 0.00 1.82 2.07 -0.61 -4.89 121.20 124.62 1ttf s ILE 59 Ca -0.04 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 1ttf s ILE 59 Cb -0.18 -2.59 0.00 0.00 0.13 0.00 0.00 42.46 39.81 1ttf s ILE 59 CO -0.05 0.58 0.00 -0.24 -1.91 0.00 0.00 174.94 173.32 1ttf n SER 60 N 2.49 0.00 -2.58 4.50 2.88 -1.26 -0.68 113.62 118.97 1ttf n SER 60 Ca -0.18 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.32 1ttf n SER 60 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1ttf n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ttf n GLY 61 N 5.00 -2.36 2.06 0.46 0.00 -1.26 -4.85 105.19 104.24 1ttf n GLY 61 Ca 0.00 0.77 -0.18 0.00 0.00 0.00 0.00 46.02 46.61 1ttf n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ttf n LEU 62 N 0.03 0.00 -2.78 0.99 4.32 -1.26 -5.05 117.00 113.25 1ttf n LEU 62 Ca 0.06 -1.79 -0.01 0.00 -0.02 0.00 0.00 56.01 54.25 1ttf n LEU 62 Cb 0.23 0.19 0.01 0.00 -1.62 0.00 0.00 43.42 42.24 1ttf n LEU 62 CO 0.39 -0.26 0.39 -0.54 -1.22 0.00 0.00 177.39 176.15 1ttf s LYS 63 N -3.05 0.36 0.22 3.23 1.02 -1.26 -5.14 119.74 115.12 1ttf s LYS 63 Ca 0.01 -0.25 -0.32 0.00 0.02 0.00 0.00 55.97 55.43 1ttf s LYS 63 Cb -0.00 0.01 -0.13 0.00 -0.52 0.00 0.00 37.83 37.19 1ttf s LYS 63 CO 0.01 -0.48 1.48 -2.30 -0.92 0.00 0.00 175.35 173.13 1ttf n PRO 64 N 3.28 2.14 -0.55 -1.68 -0.02 -1.26 -3.43 135.00 133.47 1ttf n PRO 64 Ca 0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1ttf n PRO 64 Cb 0.62 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.56 0.91 3.47 -1.23 0.00 -1.10 -5.11 105.19 104.70 1ttf n GLY 65 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.10 0.00 -0.54 1.61 0.11 -1.09 -5.07 120.40 113.31 1ttf s VAL 66 Ca 0.00 -0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.81 1ttf s VAL 66 Cb 0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1ttf s VAL 66 CO 0.00 -0.00 0.89 -1.81 -3.33 0.00 0.00 175.10 170.85 1ttf s ASP 67 N -1.89 6.33 -0.29 3.54 1.11 -1.26 -2.34 116.67 121.86 1ttf s ASP 67 Ca -0.06 -0.42 -0.21 0.00 0.18 0.00 0.00 52.55 52.04 1ttf s ASP 67 Cb -0.00 -2.41 -0.01 0.00 1.07 0.00 0.00 42.92 41.56 1ttf s ASP 67 CO -0.00 -1.17 0.67 -0.31 1.18 0.00 0.00 175.17 175.54 1ttf s TYR 68 N 3.73 3.24 -0.18 4.23 2.02 -0.55 -2.48 117.35 127.35 1ttf s TYR 68 Ca 0.28 0.72 -0.10 0.00 -0.37 0.00 0.00 57.07 57.60 1ttf s TYR 68 Cb -0.13 -3.00 -0.05 0.00 -0.40 0.00 0.00 41.96 38.38 1ttf s TYR 68 CO 0.18 -0.45 0.17 0.95 -1.57 0.00 0.00 175.55 174.83 1ttf s THR 69 N 2.66 5.40 0.11 -0.71 -4.23 -0.93 -2.54 115.64 115.39 1ttf s THR 69 Ca 0.27 0.27 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1ttf s THR 69 Cb -0.15 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1ttf s THR 69 CO 0.11 0.45 -0.13 0.27 -0.54 0.00 0.00 174.62 174.77 1ttf s ILE 70 N 0.23 1.24 -0.08 2.99 -5.25 -1.09 -2.10 121.20 117.14 1ttf s ILE 70 Ca 0.10 -1.68 -0.04 0.00 -0.99 0.00 0.00 60.65 58.05 1ttf s ILE 70 Cb -0.12 -1.47 0.04 0.00 2.95 0.00 0.00 42.46 43.86 1ttf s ILE 70 CO -0.00 -0.43 0.18 -0.89 -1.79 0.00 0.00 174.94 172.00 1ttf s THR 71 N -2.15 -0.09 -0.09 8.37 2.01 -0.70 -2.03 115.64 120.96 1ttf s THR 71 Ca 0.08 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1ttf s THR 71 Cb -0.05 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1ttf s THR 71 CO 0.02 0.08 -0.07 0.68 -0.69 0.00 0.00 174.62 174.64 1ttf s VAL 72 N 1.40 3.65 -0.23 3.82 -7.23 -0.94 -2.50 120.40 118.36 1ttf s VAL 72 Ca -0.07 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1ttf s VAL 72 Cb -0.11 -2.51 0.05 0.00 0.56 0.00 0.00 36.38 34.36 1ttf s VAL 72 CO -0.07 0.57 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.84 1ttf s TYR 73 N -0.48 3.08 -0.55 2.82 1.51 -0.98 -2.79 117.35 119.96 1ttf s TYR 73 Ca 0.07 -2.07 -0.23 0.00 -1.01 0.00 0.00 57.07 53.83 1ttf s TYR 73 Cb -0.12 -1.92 0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1ttf s TYR 73 CO 0.02 -0.85 0.88 0.00 -1.11 0.00 0.00 175.55 174.48 1ttf s ALA 74 N 1.17 3.20 -0.23 3.71 0.00 -1.26 -2.41 121.76 125.94 1ttf s ALA 74 Ca -0.04 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.48 1ttf s ALA 74 Cb -0.17 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.27 1ttf s ALA 74 CO -0.08 -2.34 -0.00 0.08 0.00 0.00 0.00 175.76 173.42 1ttf s VAL 75 N 3.68 3.65 -0.18 0.00 1.01 -1.07 -4.00 120.40 123.49 1ttf s VAL 75 Ca 0.26 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1ttf s VAL 75 Cb -0.14 -2.70 -0.12 0.00 0.00 0.00 0.00 36.38 33.42 1ttf s VAL 75 CO 0.17 0.37 -0.16 0.35 0.00 0.00 0.00 175.10 175.83 1ttf n THR 76 N 4.83 1.04 -0.83 3.92 -2.24 -1.26 -2.21 114.28 117.54 1ttf n THR 76 Ca -0.17 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1ttf n THR 76 Cb 0.51 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 2.61 -3.64 0.01 3.38 0.00 -1.26 -3.91 105.19 102.38 1ttf n GLY 77 Ca -0.32 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.56 0.00 0.00 1.61 5.12 -1.26 -4.98 116.66 115.59 1ttf n ARG 78 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ttf n ARG 78 Cb 0.14 -0.03 0.00 0.00 -1.16 0.00 0.00 32.46 31.41 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 2.71 0.00 0.08 -0.13 0.00 -1.26 -5.00 105.19 101.59 1ttf n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.02 1.61 9.92 -1.26 -5.04 116.55 117.76 1ttf n ASP 80 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 1ttf n ASP 80 Cb 0.00 0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.39 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ttf s SER 81 N -1.18 4.96 0.04 -2.24 0.15 -1.26 -5.07 113.70 109.10 1ttf s SER 81 Ca 0.00 -3.16 -0.30 0.00 0.70 0.00 0.00 55.95 53.19 1ttf s SER 81 Cb 0.00 -1.76 -0.09 0.00 -1.71 0.00 0.00 66.02 62.46 1ttf s SER 81 CO 0.00 -0.26 1.97 -2.84 1.20 0.00 0.00 173.24 173.31 1ttf s PRO 82 N -0.51 4.14 -0.04 5.44 0.02 -1.26 -4.56 135.00 138.24 1ttf s PRO 82 Ca 0.19 2.62 0.03 0.00 0.02 0.00 0.00 61.00 63.86 1ttf s PRO 82 Cb -0.18 -4.16 0.01 0.00 0.02 0.00 0.00 34.50 30.18 1ttf s PRO 82 CO -0.05 -0.96 -0.11 0.00 -0.33 0.00 0.00 177.00 175.56 1ttf s ALA 83 N 4.45 1.04 0.09 -1.55 0.00 -1.26 -5.04 121.76 119.49 1ttf s ALA 83 Ca 0.89 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 1ttf s ALA 83 Cb -0.43 -0.41 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 1ttf s ALA 83 CO 0.42 0.15 0.54 -1.54 0.00 0.00 0.00 175.76 175.33 1ttf s SER 84 N 0.31 6.95 0.00 0.00 1.04 -1.26 -4.58 113.70 116.16 1ttf s SER 84 Ca -0.06 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1ttf s SER 84 Cb -0.11 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1ttf s SER 84 CO 0.01 0.22 0.36 -1.20 0.98 0.00 0.00 173.24 173.61 1ttf n SER 85 N 1.40 0.00 -2.72 7.02 7.64 -1.26 -4.90 113.62 120.80 1ttf n SER 85 Ca -0.09 0.37 -0.04 0.00 1.01 0.00 0.00 58.87 60.12 1ttf n SER 85 Cb 0.51 -0.03 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1ttf n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ttf n LYS 86 N -0.60 0.37 -1.09 1.43 4.81 -1.26 -5.09 118.16 116.72 1ttf n LYS 86 Ca 0.00 -1.42 -0.34 0.00 -0.87 0.00 0.00 58.31 55.68 1ttf n LYS 86 Cb 0.00 -0.77 0.12 0.00 0.02 0.00 0.00 35.03 34.40 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ttf n PRO 87 N 2.52 0.14 -3.71 1.64 -0.02 -1.26 -4.83 135.00 129.47 1ttf n PRO 87 Ca 0.13 0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1ttf n PRO 87 Cb 0.62 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 1ttf n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ttf s ILE 88 N -2.12 0.09 0.13 4.25 2.07 -1.12 -5.04 121.20 119.46 1ttf s ILE 88 Ca 0.70 -0.78 0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1ttf s ILE 88 Cb -0.29 -1.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.01 1ttf s ILE 88 CO 0.54 -0.40 -0.10 -0.44 -1.91 0.00 0.00 174.94 172.63 1ttf s SER 89 N -2.83 1.68 -0.12 4.50 0.01 -1.26 -2.22 113.70 113.45 1ttf s SER 89 Ca 0.04 -0.96 -0.15 0.00 1.31 0.00 0.00 55.95 56.20 1ttf s SER 89 Cb 0.03 -0.00 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1ttf s SER 89 CO -0.11 -0.31 0.39 0.27 0.41 0.00 0.00 173.24 173.89 1ttf s ILE 90 N -3.08 0.01 -0.15 1.44 -4.36 -0.86 -5.02 121.20 109.18 1ttf s ILE 90 Ca 0.13 -0.08 -0.08 0.00 -0.26 0.00 0.00 60.65 60.36 1ttf s ILE 90 Cb 0.01 -0.58 -0.04 0.00 1.25 0.00 0.00 42.46 43.09 1ttf s ILE 90 CO 0.00 -0.04 0.13 0.54 0.24 0.00 0.00 174.94 175.81 1ttf s ASN 91 N -0.09 6.28 -0.07 4.36 4.22 -1.26 -2.68 114.94 125.70 1ttf s ASN 91 Ca -0.03 0.37 -0.05 0.00 -2.14 0.00 0.00 52.86 51.02 1ttf s ASN 91 Cb -0.03 -2.06 0.03 0.00 1.28 0.00 0.00 41.25 40.47 1ttf s ASN 91 CO 0.01 0.32 0.17 -0.47 -2.04 0.00 0.00 177.10 175.09 1ttf s TYR 92 N -0.51 -0.19 -0.53 1.54 6.14 -1.05 -5.02 117.35 117.72 1ttf s TYR 92 Ca 0.12 0.50 -0.26 0.00 0.64 0.00 0.00 57.07 58.07 1ttf s TYR 92 Cb -0.12 0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.30 1ttf s TYR 92 CO 0.02 -0.13 1.03 0.50 0.64 0.00 0.00 175.55 177.61 1ttf s ARG 93 N 0.64 3.48 0.00 4.97 3.52 -1.26 -1.49 118.95 128.81 1ttf s ARG 93 Ca -0.05 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 1ttf s ARG 93 Cb -0.06 -3.99 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 1ttf s ARG 93 CO -0.03 -1.47 0.49 0.25 -0.81 0.00 0.00 175.30 173.73