#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 -0.10 -2.56 6.55 3.41 -1.26 -5.05 113.62 114.61 1ttf n SER 2 Ca 0.00 -1.07 -0.33 0.00 -0.26 0.00 0.00 58.87 57.21 1ttf n SER 2 Cb 0.00 0.17 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.98 6.29 -3.67 4.04 9.92 -1.26 -4.85 116.55 126.03 1ttf n ASP 3 Ca -0.00 -3.78 -0.29 0.00 -0.53 0.00 0.00 54.79 50.19 1ttf n ASP 3 Cb 0.03 -0.76 -0.12 0.00 -0.64 0.00 0.00 41.12 39.63 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ttf s VAL 4 N -5.12 1.41 0.13 2.53 1.01 -1.26 -4.52 120.40 114.58 1ttf s VAL 4 Ca 0.53 -2.84 -0.02 0.00 0.00 0.00 0.00 61.98 59.65 1ttf s VAL 4 Cb 0.43 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1ttf s VAL 4 CO -0.22 -0.98 0.07 -2.65 0.00 0.00 0.00 175.10 171.33 1ttf n PRO 5 N 3.16 -1.88 -3.72 2.72 -0.02 -1.26 -4.99 135.00 129.01 1ttf n PRO 5 Ca 0.15 -0.12 0.02 0.00 -2.02 0.00 0.00 63.50 61.53 1ttf n PRO 5 Cb 0.37 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ttf s ARG 6 N -2.92 0.34 0.00 -0.52 1.70 0.37 -4.55 118.95 113.38 1ttf s ARG 6 Ca 0.06 -0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 1ttf s ARG 6 Cb -0.01 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1ttf s ARG 6 CO 0.05 -0.16 0.00 -3.47 -1.08 0.00 0.00 175.30 170.64 1ttf n ASP 7 N -0.66 -2.19 -4.52 -2.89 2.03 -1.26 -3.72 116.55 103.34 1ttf n ASP 7 Ca -0.05 0.35 -0.42 0.00 0.52 0.00 0.00 54.79 55.19 1ttf n ASP 7 Cb 0.62 -0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ttf s LEU 8 N 0.00 3.50 0.11 -2.67 2.96 -1.26 -4.06 118.68 117.26 1ttf s LEU 8 Ca 0.00 -0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 53.01 1ttf s LEU 8 Cb 0.00 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.24 1ttf s LEU 8 CO 0.00 -1.72 0.95 -0.70 -1.32 0.00 0.00 176.35 173.56 1ttf s GLU 9 N 5.26 1.08 0.21 1.98 2.12 -0.80 -5.00 118.70 123.55 1ttf s GLU 9 Ca 0.32 -0.56 -0.16 0.00 0.36 0.00 0.00 54.97 54.93 1ttf s GLU 9 Cb -0.10 0.39 -0.08 0.00 0.26 0.00 0.00 34.13 34.61 1ttf s GLU 9 CO 0.13 -0.49 0.65 0.08 -0.54 0.00 0.00 175.26 175.09 1ttf s VAL 10 N -3.22 4.71 -0.34 3.70 1.01 -1.26 -1.88 120.40 123.12 1ttf s VAL 10 Ca 0.10 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.14 1ttf s VAL 10 Cb -0.01 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ttf s VAL 10 CO -0.01 0.15 0.59 0.52 0.00 0.00 0.00 175.10 176.36 1ttf n VAL 11 N 0.56 0.01 0.00 2.92 0.31 -1.07 -4.96 118.33 116.09 1ttf n VAL 11 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1ttf n VAL 11 Cb 0.52 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.50 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttf n ALA 12 N 0.15 0.00 -3.65 3.52 0.00 -1.25 -5.01 120.51 114.27 1ttf n ALA 12 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1ttf n ALA 12 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 1ttf n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ttf s ALA 13 N -2.00 -1.80 0.13 0.00 0.00 -1.26 -2.54 121.76 114.28 1ttf s ALA 13 Ca 0.00 2.27 0.02 0.00 0.00 0.00 0.00 51.96 54.25 1ttf s ALA 13 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1ttf s ALA 13 CO 0.00 -0.54 -0.04 0.95 0.00 0.00 0.00 175.76 176.13 1ttf s THR 14 N 2.01 0.67 -0.56 0.00 -4.23 0.66 -5.02 115.64 109.17 1ttf s THR 14 Ca -0.08 -1.95 -0.32 0.00 -1.18 0.00 0.00 61.69 58.15 1ttf s THR 14 Cb -0.08 -1.85 -0.13 0.00 1.34 0.00 0.00 72.50 71.78 1ttf s THR 14 CO -0.19 -0.72 2.38 -2.65 -0.54 0.00 0.00 174.62 172.90 1ttf n PRO 15 N -0.11 0.73 -2.31 3.99 -0.02 -1.26 0.07 135.00 136.08 1ttf n PRO 15 Ca -0.10 0.12 -0.05 0.00 -2.02 0.00 0.00 63.50 61.45 1ttf n PRO 15 Cb 0.62 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ttf n THR 16 N 7.45 -0.38 -3.64 3.45 -1.04 -1.26 -5.03 114.28 113.83 1ttf n THR 16 Ca 0.47 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.44 1ttf n THR 16 Cb 0.24 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ttf s SER 17 N -2.88 -1.02 -0.01 8.00 1.04 0.11 -3.93 113.70 115.01 1ttf s SER 17 Ca 0.04 1.54 0.04 0.00 0.48 0.00 0.00 55.95 58.05 1ttf s SER 17 Cb -0.02 1.72 -0.01 0.00 0.10 0.00 0.00 66.02 67.81 1ttf s SER 17 CO 0.06 -0.23 -0.12 -0.22 0.98 0.00 0.00 173.24 173.70 1ttf s LEU 18 N 2.09 2.03 -0.11 2.42 2.96 0.06 -0.24 118.68 127.88 1ttf s LEU 18 Ca -0.09 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1ttf s LEU 18 Cb -0.07 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 45.99 1ttf s LEU 18 CO -0.20 0.15 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.59 1ttf s LEU 19 N -0.30 1.85 0.15 -0.68 0.20 -1.05 -0.72 118.68 118.13 1ttf s LEU 19 Ca 0.05 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1ttf s LEU 19 Cb -0.05 -1.20 -0.05 0.00 -0.43 0.00 0.00 46.19 44.47 1ttf s LEU 19 CO -0.00 0.05 -0.05 0.27 -0.29 0.00 0.00 176.35 176.33 1ttf s ILE 20 N 0.86 0.87 -0.00 6.68 -4.36 -1.02 -2.61 121.20 121.61 1ttf s ILE 20 Ca -0.09 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.33 1ttf s ILE 20 Cb -0.15 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.59 1ttf s ILE 20 CO -0.00 -0.64 -0.07 -0.44 0.24 0.00 0.00 174.94 174.03 1ttf s SER 21 N -3.16 0.83 0.49 4.36 0.01 -0.79 -2.19 113.70 113.26 1ttf s SER 21 Ca 0.19 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1ttf s SER 21 Cb 0.05 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1ttf s SER 21 CO 0.01 0.08 0.02 -1.66 0.41 0.00 0.00 173.24 172.11 1ttf s TRP 22 N -0.19 1.98 0.12 2.43 -2.14 -1.09 -1.90 118.94 118.15 1ttf s TRP 22 Ca 0.02 -0.89 0.01 0.00 2.66 0.00 0.00 56.10 57.90 1ttf s TRP 22 Cb -0.03 -1.66 -0.04 0.00 -3.10 0.00 0.00 33.47 28.64 1ttf s TRP 22 CO -0.00 0.24 -0.03 0.16 -2.66 0.00 0.00 176.95 174.66 1ttf s ASP 23 N -3.86 0.98 0.05 -2.66 1.47 -1.24 0.14 116.67 111.54 1ttf s ASP 23 Ca 0.12 -1.08 -0.14 0.00 1.18 0.00 0.00 52.55 52.63 1ttf s ASP 23 Cb 0.03 0.14 0.05 0.00 -0.34 0.00 0.00 42.92 42.80 1ttf s ASP 23 CO 0.07 -0.55 0.65 0.00 0.68 0.00 0.00 175.17 176.02 1ttf n ALA 24 N -0.09 -1.78 -1.63 2.11 0.00 -1.26 -4.84 120.51 113.01 1ttf n ALA 24 Ca -0.10 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.47 1ttf n ALA 24 Cb 0.62 0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.32 1ttf n ALA 24 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ttf s PRO 25 N -2.02 2.92 0.00 0.00 0.02 -1.26 -4.81 135.00 129.85 1ttf s PRO 25 Ca 0.15 1.62 -0.02 0.00 0.02 0.00 0.00 61.00 62.77 1ttf s PRO 25 Cb -0.01 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.47 1ttf s PRO 25 CO 0.01 -1.20 2.39 0.00 -0.33 0.00 0.00 177.00 177.88 1ttf n ALA 26 N -1.90 4.57 -2.29 -1.55 0.00 -1.26 -4.80 120.51 113.27 1ttf n ALA 26 Ca 0.12 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 1ttf n ALA 26 Cb 0.51 -1.59 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 0.62 2.09 -0.03 0.00 0.11 -1.26 -5.00 120.40 116.92 1ttf s VAL 27 Ca 0.24 -1.38 -0.29 0.00 -2.93 0.00 0.00 61.98 57.62 1ttf s VAL 27 Cb 0.12 -2.46 -0.03 0.00 -1.53 0.00 0.00 36.38 32.47 1ttf s VAL 27 CO 0.00 0.00 0.96 -0.89 -3.33 0.00 0.00 175.10 171.84 1ttf s THR 28 N -2.65 4.86 -0.07 5.04 2.01 -1.26 -4.73 115.64 118.84 1ttf s THR 28 Ca 0.43 2.01 0.04 0.00 0.31 0.00 0.00 61.69 64.48 1ttf s THR 28 Cb -0.03 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1ttf s THR 28 CO 0.26 0.13 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.43 1ttf s VAL 29 N 1.22 1.70 -0.00 3.82 1.01 -1.26 -4.62 120.40 122.26 1ttf s VAL 29 Ca 0.50 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 1ttf s VAL 29 Cb -0.20 -1.47 -0.34 0.00 0.00 0.00 0.00 36.38 34.36 1ttf s VAL 29 CO 0.25 0.48 0.95 0.03 0.00 0.00 0.00 175.10 176.81 1ttf h ARG 30 N 6.57 0.46 -4.49 2.72 3.08 0.14 -3.45 114.38 119.41 1ttf h ARG 30 Ca -0.27 -0.78 -0.31 0.00 0.07 0.00 0.00 59.98 58.70 1ttf h ARG 30 Cb 1.20 0.29 -0.12 0.00 0.08 0.00 0.00 29.97 31.42 1ttf h ARG 30 CO 0.47 1.37 -0.42 0.71 -1.07 0.00 0.00 179.97 181.03 1ttf s TYR 31 N -2.54 1.26 -0.04 3.04 2.02 -1.04 -4.22 117.35 115.84 1ttf s TYR 31 Ca -0.11 -1.39 -0.04 0.00 -0.37 0.00 0.00 57.07 55.16 1ttf s TYR 31 Cb 0.03 -0.42 0.01 0.00 -0.40 0.00 0.00 41.96 41.17 1ttf s TYR 31 CO 0.90 -0.87 0.11 0.71 -1.57 0.00 0.00 175.55 174.84 1ttf s TYR 32 N -3.65 -0.11 -0.26 2.71 1.51 0.13 -2.38 117.35 115.30 1ttf s TYR 32 Ca 0.36 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.71 1ttf s TYR 32 Cb 0.03 0.04 0.07 0.00 -0.11 0.00 0.00 41.96 41.98 1ttf s TYR 32 CO 0.19 -0.07 -0.05 1.03 -1.11 0.00 0.00 175.55 175.54 1ttf s ARG 33 N -0.01 1.76 -0.39 -0.62 0.52 -1.15 -0.76 118.95 118.29 1ttf s ARG 33 Ca -0.01 -1.25 -0.14 0.00 -0.52 0.00 0.00 55.73 53.82 1ttf s ARG 33 Cb -0.01 -2.75 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1ttf s ARG 33 CO 0.00 -0.66 0.27 0.42 0.02 0.00 0.00 175.30 175.35 1ttf s ILE 34 N 1.23 5.11 -0.05 1.52 1.01 -0.87 -2.21 121.20 126.95 1ttf s ILE 34 Ca -0.04 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1ttf s ILE 34 Cb -0.19 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1ttf s ILE 34 CO -0.07 -0.22 -0.20 0.42 0.00 0.00 0.00 174.94 174.86 1ttf s THR 35 N 1.66 2.51 -0.02 2.92 -4.23 -0.73 -1.92 115.64 115.82 1ttf s THR 35 Ca 0.05 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1ttf s THR 35 Cb -0.19 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.72 1ttf s THR 35 CO 0.09 0.57 0.06 -0.72 -0.54 0.00 0.00 174.62 174.08 1ttf s TYR 36 N -0.41 -0.05 -0.28 3.99 1.13 -0.97 -1.74 117.35 119.01 1ttf s TYR 36 Ca 0.04 0.16 -0.22 0.00 -1.41 0.00 0.00 57.07 55.64 1ttf s TYR 36 Cb -0.12 -0.02 0.13 0.00 -1.10 0.00 0.00 41.96 40.85 1ttf s TYR 36 CO 0.02 -0.04 1.00 0.20 -2.51 0.00 0.00 175.55 174.22 1ttf s GLY 37 N 0.22 -0.13 0.75 5.49 0.00 -1.09 -2.93 107.32 109.63 1ttf s GLY 37 Ca -0.02 2.80 -0.09 0.00 0.00 0.00 0.00 44.72 47.41 1ttf s GLY 37 CO -0.01 2.07 1.09 -1.83 0.00 0.00 0.00 173.10 174.42 1ttf s GLU 38 N 0.60 2.15 0.81 2.90 4.04 -1.26 -2.45 118.70 125.49 1ttf s GLU 38 Ca -0.01 -0.05 -0.11 0.00 0.04 0.00 0.00 54.97 54.85 1ttf s GLU 38 Cb -0.05 -2.07 0.08 0.00 0.02 0.00 0.00 34.13 32.11 1ttf s GLU 38 CO -0.09 -1.37 1.09 0.99 -1.84 0.00 0.00 175.26 174.04 1ttf s THR 39 N -3.39 3.14 0.00 1.83 2.01 -1.24 -4.91 115.64 113.08 1ttf s THR 39 Ca 0.61 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.98 1ttf s THR 39 Cb -0.11 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1ttf s THR 39 CO 0.47 -0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1ttf n GLY 40 N -1.36 1.48 3.53 4.40 0.00 -1.26 -4.97 105.19 107.02 1ttf n GLY 40 Ca 0.08 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 0.07 -0.21 1.79 -0.02 0.00 -1.26 -4.36 105.19 101.19 1ttf n GLY 41 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 13.54 0.09 -3.60 1.61 2.85 -1.26 -5.15 115.26 123.33 1ttf n ASN 42 Ca 0.53 0.38 -0.05 0.00 -0.11 0.00 0.00 54.58 55.33 1ttf n ASN 42 Cb 0.32 0.23 -0.03 0.00 1.24 0.00 0.00 39.78 41.54 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1ttf s SER 43 N -5.20 -0.16 0.31 1.20 1.04 -1.26 -5.14 113.70 104.48 1ttf s SER 43 Ca 0.00 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.24 1ttf s SER 43 Cb 0.00 0.15 -0.11 0.00 0.10 0.00 0.00 66.02 66.17 1ttf s SER 43 CO 0.00 -0.21 1.47 -2.16 0.98 0.00 0.00 173.24 173.32 1ttf s PRO 44 N -1.74 4.20 0.00 4.02 0.04 -1.26 -4.98 135.00 135.28 1ttf s PRO 44 Ca 0.07 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1ttf s PRO 44 Cb -0.01 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1ttf s PRO 44 CO -0.04 -0.46 0.00 0.28 0.04 0.00 0.00 177.00 176.82 1ttf n VAL 45 N 1.49 0.00 -3.82 -0.36 0.31 -1.26 -5.08 118.33 109.61 1ttf n VAL 45 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.32 1ttf n VAL 45 Cb 0.40 -0.06 -0.01 0.00 -0.91 0.00 0.00 33.84 33.26 1ttf n VAL 45 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ttf s GLN 46 N 0.00 1.58 -0.25 5.55 -0.21 -1.15 -5.07 119.66 120.11 1ttf s GLN 46 Ca 0.00 -0.91 -0.27 0.00 0.02 0.00 0.00 55.36 54.21 1ttf s GLN 46 Cb 0.00 0.51 0.14 0.00 1.00 0.00 0.00 33.01 34.66 1ttf s GLN 46 CO 0.00 -0.73 1.11 -2.00 -2.12 0.00 0.00 175.29 171.55 1ttf s GLU 47 N -3.31 0.43 -0.08 2.91 2.12 -1.26 -2.28 118.70 117.22 1ttf s GLU 47 Ca 0.13 0.36 -0.10 0.00 0.36 0.00 0.00 54.97 55.72 1ttf s GLU 47 Cb -0.04 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.58 1ttf s GLU 47 CO 0.06 -0.08 0.26 -0.59 -0.54 0.00 0.00 175.26 174.36 1ttf s PHE 48 N -0.24 -0.26 0.20 5.30 -0.71 -0.81 -5.00 117.98 116.47 1ttf s PHE 48 Ca 0.03 0.61 0.03 0.00 -1.04 0.00 0.00 56.93 56.56 1ttf s PHE 48 Cb -0.04 0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 1ttf s PHE 48 CO -0.06 -0.17 0.35 0.95 -1.34 0.00 0.00 175.22 174.95 1ttf s THR 49 N -0.09 5.26 0.08 -4.49 -4.23 -1.26 -2.05 115.64 108.86 1ttf s THR 49 Ca -0.02 -0.71 -0.13 0.00 -1.18 0.00 0.00 61.69 59.65 1ttf s THR 49 Cb -0.03 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1ttf s THR 49 CO 0.01 -0.22 0.30 0.68 -0.54 0.00 0.00 174.62 174.84 1ttf s VAL 50 N -1.89 0.10 -1.64 2.29 -7.23 0.06 -4.97 120.40 107.12 1ttf s VAL 50 Ca 0.35 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1ttf s VAL 50 Cb -0.10 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1ttf s VAL 50 CO 0.29 -0.44 0.18 -0.81 -0.31 0.00 0.00 175.10 174.01 1ttf n PRO 51 N 0.16 0.22 -2.22 4.82 -0.04 -1.26 0.21 135.00 136.89 1ttf n PRO 51 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 1ttf n PRO 51 Cb 0.62 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.04 -0.00 0.08 0.55 0.00 -1.26 -4.35 105.19 100.17 1ttf n GLY 52 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.07 -3.07 1.61 0.02 -1.88 -3.45 113.55 106.84 1ttf h SER 53 Ca -0.43 -0.12 -0.61 0.00 -0.84 0.00 0.00 61.79 59.79 1ttf h SER 53 Cb 1.30 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.74 1ttf h SER 53 CO 0.53 1.11 -0.31 -0.54 -1.14 0.00 0.00 176.83 176.48 1ttf s LYS 54 N -2.61 3.99 0.25 3.45 1.02 -1.26 -4.73 119.74 119.84 1ttf s LYS 54 Ca -0.06 0.16 0.26 0.00 0.02 0.00 0.00 55.97 56.35 1ttf s LYS 54 Cb 0.08 -3.31 0.74 0.00 -0.52 0.00 0.00 37.83 34.82 1ttf s LYS 54 CO 0.82 0.49 1.75 0.77 -0.92 0.00 0.00 175.35 178.26 1ttf h SER 55 N 5.71 0.00 -4.83 2.83 0.02 -1.92 -3.46 113.55 111.89 1ttf h SER 55 Ca -0.47 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.00 1ttf h SER 55 Cb 1.20 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.61 1ttf h SER 55 CO 0.68 0.00 -0.46 0.35 -1.14 0.00 0.00 176.83 176.25 1ttf n THR 56 N -2.40 0.00 -3.55 -2.27 -2.24 -1.26 -2.68 114.28 99.89 1ttf n THR 56 Ca 0.05 -2.40 -0.08 0.00 -2.27 0.00 0.00 64.05 59.35 1ttf n THR 56 Cb 0.44 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1ttf n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ttf s ALA 57 N -3.31 -1.92 -0.07 6.98 0.00 -0.93 -5.02 121.76 117.48 1ttf s ALA 57 Ca 0.38 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.67 1ttf s ALA 57 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1ttf s ALA 57 CO 0.27 -0.58 -0.14 0.99 0.00 0.00 0.00 175.76 176.30 1ttf s THR 58 N -2.49 3.03 0.16 0.00 2.01 -1.26 -2.45 115.64 114.64 1ttf s THR 58 Ca 0.05 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.42 1ttf s THR 58 Cb -0.01 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1ttf s THR 58 CO -0.06 0.57 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.64 1ttf s ILE 59 N -0.38 1.75 -0.13 1.82 1.01 0.10 -4.99 121.20 120.38 1ttf s ILE 59 Ca 0.04 -1.90 -0.06 0.00 0.00 0.00 0.00 60.65 58.74 1ttf s ILE 59 Cb -0.12 -1.81 0.06 0.00 0.01 0.00 0.00 42.46 40.60 1ttf s ILE 59 CO 0.02 -0.33 0.29 -0.55 0.00 0.00 0.00 174.94 174.36 1ttf s SER 60 N -2.65 -0.15 0.00 3.58 0.15 -1.26 -0.76 113.70 112.61 1ttf s SER 60 Ca 0.15 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1ttf s SER 60 Cb -0.05 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1ttf s SER 60 CO 0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1ttf n GLY 61 N 4.57 1.08 0.00 9.45 0.00 -1.25 -5.01 105.19 114.03 1ttf n GLY 61 Ca -0.19 -0.07 0.00 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 0.00 0.99 -0.00 -1.26 -5.03 117.00 111.70 1ttf n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ttf n LEU 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ttf n LEU 62 CO 0.00 -0.24 0.00 1.17 -0.00 0.00 0.00 177.39 178.32 1ttf n LYS 63 N 0.00 0.00 -1.02 1.47 4.81 -1.26 -4.51 118.16 117.66 1ttf n LYS 63 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1ttf n LYS 63 Cb 0.00 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.17 1ttf n LYS 63 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ttf n PRO 64 N -1.18 -0.90 -3.44 1.64 -0.05 -1.26 -4.80 135.00 125.02 1ttf n PRO 64 Ca 0.00 -1.14 -0.27 0.00 -0.05 0.00 0.00 63.50 62.04 1ttf n PRO 64 Cb 0.00 -0.79 -0.10 0.00 -0.05 0.00 0.00 33.50 32.56 1ttf n PRO 64 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1ttf s GLY 65 N -4.52 1.35 0.20 0.55 0.00 -1.26 -5.04 107.32 98.59 1ttf s GLY 65 Ca 0.42 -2.57 0.00 0.00 0.00 0.00 0.00 44.72 42.57 1ttf s GLY 65 CO 0.30 2.04 0.02 1.55 0.00 0.00 0.00 173.10 177.00 1ttf n VAL 66 N 2.77 0.00 -1.83 1.40 3.14 0.53 -4.73 118.33 119.61 1ttf n VAL 66 Ca 0.29 -1.00 -0.29 0.00 -2.96 0.00 0.00 64.34 60.37 1ttf n VAL 66 Cb 0.47 0.24 -0.04 0.00 -1.06 0.00 0.00 33.84 33.45 1ttf n VAL 66 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1ttf s ASP 67 N -2.14 4.74 -0.14 6.55 1.11 -1.26 -1.76 116.67 123.77 1ttf s ASP 67 Ca 0.02 0.17 -0.19 0.00 0.18 0.00 0.00 52.55 52.73 1ttf s ASP 67 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 1ttf s ASP 67 CO 0.02 -2.93 0.53 -0.31 1.18 0.00 0.00 175.17 173.66 1ttf s TYR 68 N 11.33 3.47 -0.30 4.23 2.02 0.76 -3.63 117.35 135.24 1ttf s TYR 68 Ca 0.80 0.91 -0.17 0.00 -0.37 0.00 0.00 57.07 58.24 1ttf s TYR 68 Cb -0.12 -2.64 -0.02 0.00 -0.40 0.00 0.00 41.96 38.78 1ttf s TYR 68 CO 0.13 0.06 0.47 0.99 -1.57 0.00 0.00 175.55 175.63 1ttf s THR 69 N 1.02 5.09 -0.06 -0.71 2.01 -1.03 -1.26 115.64 120.70 1ttf s THR 69 Ca 0.27 0.55 -0.02 0.00 0.31 0.00 0.00 61.69 62.80 1ttf s THR 69 Cb -0.16 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1ttf s THR 69 CO 0.11 -0.01 0.05 -0.51 -0.69 0.00 0.00 174.62 173.57 1ttf s ILE 70 N 2.26 4.66 -0.04 1.82 1.10 -1.10 -2.67 121.20 127.22 1ttf s ILE 70 Ca 0.18 -0.23 -0.01 0.00 -0.51 0.00 0.00 60.65 60.08 1ttf s ILE 70 Cb -0.16 -3.03 0.03 0.00 0.15 0.00 0.00 42.46 39.46 1ttf s ILE 70 CO 0.11 0.52 0.08 -0.89 -2.11 0.00 0.00 174.94 172.65 1ttf s THR 71 N -1.02 -0.06 -0.09 4.00 2.01 -0.71 -2.00 115.64 117.77 1ttf s THR 71 Ca 0.17 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1ttf s THR 71 Cb -0.12 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.26 1ttf s THR 71 CO 0.07 0.08 -0.16 0.68 -0.69 0.00 0.00 174.62 174.60 1ttf s VAL 72 N 1.12 1.51 0.03 3.82 -7.23 -0.81 -1.78 120.40 117.06 1ttf s VAL 72 Ca -0.09 -0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 59.36 1ttf s VAL 72 Cb -0.12 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 1ttf s VAL 72 CO -0.04 0.44 0.25 -0.31 -0.31 0.00 0.00 175.10 175.13 1ttf s TYR 73 N 0.72 3.54 -0.60 2.82 1.51 -0.94 -2.89 117.35 121.52 1ttf s TYR 73 Ca -0.12 0.46 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1ttf s TYR 73 Cb -0.16 -1.91 0.15 0.00 -0.11 0.00 0.00 41.96 39.93 1ttf s TYR 73 CO 0.03 0.59 0.37 0.00 -1.11 0.00 0.00 175.55 175.43 1ttf s ALA 74 N -1.40 3.51 -0.05 3.71 0.00 -1.26 -2.95 121.76 123.33 1ttf s ALA 74 Ca 0.31 -3.53 -0.28 0.00 0.00 0.00 0.00 51.96 48.46 1ttf s ALA 74 Cb -0.13 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1ttf s ALA 74 CO 0.20 -2.06 0.93 0.08 0.00 0.00 0.00 175.76 174.91 1ttf s VAL 75 N -0.83 4.88 0.14 0.00 1.01 -1.00 -3.93 120.40 120.67 1ttf s VAL 75 Ca 0.21 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.11 1ttf s VAL 75 Cb -0.16 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1ttf s VAL 75 CO -0.08 0.12 0.00 0.41 0.00 0.00 0.00 175.10 175.55 1ttf n THR 76 N 4.12 0.52 -1.33 3.92 -1.04 -1.26 0.80 114.28 120.02 1ttf n THR 76 Ca 0.05 0.17 -0.31 0.00 -2.04 0.00 0.00 64.05 61.93 1ttf n THR 76 Cb 0.50 -1.10 0.08 0.00 -1.82 0.00 0.00 70.33 68.00 1ttf n THR 76 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ttf s GLY 77 N -4.58 1.68 0.00 3.41 0.00 -1.20 -4.57 107.32 102.06 1ttf s GLY 77 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1ttf s GLY 77 CO 0.00 0.57 0.00 0.54 0.00 0.00 0.00 173.10 174.21 1ttf n ARG 78 N -3.44 2.69 0.00 2.90 1.74 -1.26 -4.94 116.66 114.36 1ttf n ARG 78 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1ttf n ARG 78 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 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 5.00 2.02 0.00 -0.13 0.00 -1.26 -4.28 105.19 106.53 1ttf n GLY 79 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 4.58 0.00 0.02 1.61 8.00 -1.26 -4.96 116.55 124.53 1ttf n ASP 80 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1ttf n ASP 80 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1ttf h SER 81 N 0.00 0.79 -2.74 -2.24 0.87 -2.00 -3.46 113.55 104.77 1ttf h SER 81 Ca 0.00 -0.73 -0.29 0.00 -1.23 0.00 0.00 61.79 59.54 1ttf h SER 81 Cb 0.00 -0.24 0.15 0.00 -0.44 0.00 0.00 62.40 61.87 1ttf h SER 81 CO 0.00 1.41 0.01 -2.65 -0.53 0.00 0.00 176.83 175.08 1ttf n PRO 82 N -3.99 -3.15 -1.65 2.24 -0.02 -1.26 -4.84 135.00 122.33 1ttf n PRO 82 Ca -0.10 -1.23 -0.52 0.00 -2.02 0.00 0.00 63.50 59.62 1ttf n PRO 82 Cb 0.79 -1.29 -0.06 0.00 -0.02 0.00 0.00 33.50 32.92 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ttf n ALA 83 N -4.65 -0.17 -1.98 3.55 0.00 -1.26 -4.91 120.51 111.08 1ttf n ALA 83 Ca -0.15 0.45 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 1ttf n ALA 83 Cb 0.44 -2.21 0.14 0.00 0.00 0.00 0.00 19.45 17.82 1ttf n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ttf s SER 84 N 1.77 3.89 0.91 0.00 0.15 -1.26 -3.21 113.70 115.95 1ttf s SER 84 Ca 0.88 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 57.17 1ttf s SER 84 Cb -0.91 -0.00 0.15 0.00 -1.71 0.00 0.00 66.02 63.54 1ttf s SER 84 CO 0.51 -2.19 1.19 -0.44 1.20 0.00 0.00 173.24 173.51 1ttf s SER 85 N -4.81 3.52 -0.51 5.45 0.01 -1.26 -4.78 113.70 111.32 1ttf s SER 85 Ca 0.69 0.71 0.06 0.00 1.31 0.00 0.00 55.95 58.73 1ttf s SER 85 Cb -0.04 -1.11 0.21 0.00 0.21 0.00 0.00 66.02 65.29 1ttf s SER 85 CO 0.47 -2.52 0.51 0.29 0.41 0.00 0.00 173.24 172.40 1ttf n LYS 86 N -3.70 1.13 -1.74 12.44 4.76 -1.25 -4.97 118.16 124.82 1ttf n LYS 86 Ca 0.10 -3.74 -0.42 0.00 -2.87 0.00 0.00 58.31 51.37 1ttf n LYS 86 Cb 0.60 -1.77 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1ttf s PRO 87 N -1.11 4.13 0.03 1.97 0.02 -1.26 -4.50 135.00 134.27 1ttf s PRO 87 Ca 0.33 2.60 0.03 0.00 0.02 0.00 0.00 61.00 63.98 1ttf s PRO 87 Cb 0.08 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 1ttf s PRO 87 CO -0.13 -0.74 -0.10 -1.50 -0.33 0.00 0.00 177.00 174.20 1ttf s ILE 88 N 1.08 0.79 0.03 2.83 2.07 -1.14 -5.01 121.20 121.84 1ttf s ILE 88 Ca 0.74 -0.82 -0.07 0.00 -1.41 0.00 0.00 60.65 59.09 1ttf s ILE 88 Cb -0.49 -0.74 -0.01 0.00 0.13 0.00 0.00 42.46 41.35 1ttf s ILE 88 CO 0.33 -0.06 0.12 -0.94 -1.91 0.00 0.00 174.94 172.48 1ttf s SER 89 N -0.98 0.11 -0.08 4.50 1.04 -1.26 -1.92 113.70 115.11 1ttf s SER 89 Ca -0.01 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1ttf s SER 89 Cb -0.07 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1ttf s SER 89 CO 0.01 -0.48 0.26 0.27 0.98 0.00 0.00 173.24 174.28 1ttf s ILE 90 N -2.27 0.01 0.63 -1.02 -4.36 -0.85 -5.00 121.20 108.34 1ttf s ILE 90 Ca -0.08 -0.10 -0.16 0.00 -0.26 0.00 0.00 60.65 60.05 1ttf s ILE 90 Cb -0.03 -0.41 -0.02 0.00 1.25 0.00 0.00 42.46 43.25 1ttf s ILE 90 CO -0.03 -0.06 1.09 0.54 0.24 0.00 0.00 174.94 176.73 1ttf s ASN 91 N -0.13 5.39 -0.19 4.36 2.20 -1.26 -2.72 114.94 122.58 1ttf s ASN 91 Ca -0.03 1.95 -0.08 0.00 -0.94 0.00 0.00 52.86 53.77 1ttf s ASN 91 Cb -0.03 -2.55 0.08 0.00 -2.00 0.00 0.00 41.25 36.76 1ttf s ASN 91 CO 0.01 -1.44 0.42 -0.47 -2.94 0.00 0.00 177.10 172.69 1ttf s TYR 92 N -2.34 -0.77 -1.10 1.54 6.14 -0.39 -4.93 117.35 115.51 1ttf s TYR 92 Ca 0.66 1.50 -0.21 0.00 0.64 0.00 0.00 57.07 59.66 1ttf s TYR 92 Cb -0.19 0.31 -0.07 0.00 0.42 0.00 0.00 41.96 42.42 1ttf s TYR 92 CO 0.39 -0.46 1.93 2.89 0.64 0.00 0.00 175.55 180.94 1ttf n ARG 93 N 5.14 1.94 0.00 4.97 1.85 -1.26 -0.17 116.66 129.12 1ttf n ARG 93 Ca -0.12 -2.41 0.10 0.00 -1.00 0.00 0.00 57.85 54.42 1ttf n ARG 93 Cb 0.51 -3.40 0.08 0.00 -1.05 0.00 0.00 32.46 28.60 1ttf n ARG 93 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03