#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 -1.35 0.00 6.55 1.04 -1.26 -4.98 113.70 113.70 1ttf s SER 2 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1ttf s SER 2 Cb 0.00 1.90 0.00 0.00 0.10 0.00 0.00 66.02 68.02 1ttf s SER 2 CO 0.00 -0.28 0.00 0.47 0.98 0.00 0.00 173.24 174.41 1ttf n ASP 3 N 5.21 0.00 -4.77 7.02 9.92 -1.26 -4.97 116.55 127.70 1ttf n ASP 3 Ca 0.06 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.93 1ttf n ASP 3 Cb 0.54 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.01 1ttf n ASP 3 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ttf s VAL 4 N -0.56 2.89 0.86 2.53 -7.23 -1.26 -4.69 120.40 112.94 1ttf s VAL 4 Ca 0.00 0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 60.79 1ttf s VAL 4 Cb 0.00 -3.40 0.18 0.00 0.56 0.00 0.00 36.38 33.72 1ttf s VAL 4 CO 0.00 0.05 0.40 -2.65 -0.31 0.00 0.00 175.10 172.60 1ttf n PRO 5 N -0.16 -1.65 -3.68 4.82 -0.02 -1.26 -4.96 135.00 128.08 1ttf n PRO 5 Ca 0.05 -0.68 -0.02 0.00 -2.02 0.00 0.00 63.50 60.83 1ttf n PRO 5 Cb 0.46 -1.23 -0.01 0.00 -0.02 0.00 0.00 33.50 32.69 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 -3.37 0.86 -0.23 -0.52 1.70 -1.26 -5.05 118.95 111.08 1ttf s ARG 6 Ca 0.31 -0.46 -0.20 0.00 -0.47 0.00 0.00 55.73 54.91 1ttf s ARG 6 Cb -0.06 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1ttf s ARG 6 CO 0.26 -0.39 0.34 -0.25 -1.08 0.00 0.00 175.30 174.17 1ttf n ASP 7 N -0.45 -3.19 -4.88 -2.89 8.00 -1.26 -4.05 116.55 107.83 1ttf n ASP 7 Ca -0.07 -0.06 -0.31 0.00 0.71 0.00 0.00 54.79 55.07 1ttf n ASP 7 Cb 0.61 -0.90 -0.05 0.00 -0.02 0.00 0.00 41.12 40.76 1ttf n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ttf s LEU 8 N -1.30 4.20 0.06 0.64 1.02 -1.26 -4.63 118.68 117.42 1ttf s LEU 8 Ca 0.20 0.19 -0.28 0.00 0.02 0.00 0.00 54.13 54.26 1ttf s LEU 8 Cb -0.02 -2.82 0.09 0.00 0.02 0.00 0.00 46.19 43.46 1ttf s LEU 8 CO 0.44 0.17 1.06 -1.83 0.02 0.00 0.00 176.35 176.21 1ttf s GLU 9 N -2.50 0.85 -0.40 1.70 -1.05 -0.99 -5.04 118.70 111.26 1ttf s GLU 9 Ca 0.33 -0.45 -0.17 0.00 -0.15 0.00 0.00 54.97 54.53 1ttf s GLU 9 Cb -0.13 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1ttf s GLU 9 CO 0.26 -0.39 0.44 0.08 0.95 0.00 0.00 175.26 176.61 1ttf s VAL 10 N -2.95 5.08 -1.05 1.83 1.01 -1.26 -2.52 120.40 120.53 1ttf s VAL 10 Ca 0.12 -0.18 0.26 0.00 0.00 0.00 0.00 61.98 62.18 1ttf s VAL 10 Cb 0.01 -4.00 0.24 0.00 0.00 0.00 0.00 36.38 32.63 1ttf s VAL 10 CO -0.01 -0.35 1.84 0.52 0.00 0.00 0.00 175.10 177.09 1ttf n VAL 11 N 5.42 0.21 0.00 2.92 0.31 -0.72 -4.93 118.33 121.54 1ttf n VAL 11 Ca -0.07 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ttf n VAL 11 Cb 0.48 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 -1.48 0.00 -3.26 3.52 0.00 -1.23 -5.00 120.51 113.07 1ttf n ALA 12 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 1ttf n ALA 12 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.87 0.15 0.00 0.00 -1.26 -2.33 121.76 115.44 1ttf s ALA 13 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.33 1ttf s ALA 13 Cb 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1ttf s ALA 13 CO 0.00 -0.25 0.48 0.95 0.00 0.00 0.00 175.76 176.94 1ttf s THR 14 N -0.95 0.04 -0.31 0.00 -4.23 0.16 -5.00 115.64 105.35 1ttf s THR 14 Ca -0.10 -0.49 -0.35 0.00 -1.18 0.00 0.00 61.69 59.56 1ttf s THR 14 Cb -0.04 -1.23 -0.12 0.00 1.34 0.00 0.00 72.50 72.45 1ttf s THR 14 CO 0.04 -0.19 2.12 -2.65 -0.54 0.00 0.00 174.62 173.39 1ttf n PRO 15 N -0.29 1.21 -3.14 3.99 -0.02 -1.26 -0.19 135.00 135.30 1ttf n PRO 15 Ca -0.15 0.36 -0.18 0.00 -2.02 0.00 0.00 63.50 61.51 1ttf n PRO 15 Cb 0.64 -2.46 0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1ttf n PRO 15 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ttf n THR 16 N 6.78 -2.00 -3.62 3.45 -2.24 -1.26 -4.99 114.28 110.41 1ttf n THR 16 Ca 0.38 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.13 1ttf n THR 16 Cb 0.23 -3.23 -0.06 0.00 -2.10 0.00 0.00 70.33 65.17 1ttf n THR 16 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ttf s SER 17 N -3.04 -0.64 0.04 3.42 0.01 0.73 -3.39 113.70 110.82 1ttf s SER 17 Ca 0.36 1.00 0.05 0.00 1.31 0.00 0.00 55.95 58.67 1ttf s SER 17 Cb -0.16 1.36 -0.02 0.00 0.21 0.00 0.00 66.02 67.41 1ttf s SER 17 CO 0.45 -0.15 -0.14 -0.22 0.41 0.00 0.00 173.24 173.59 1ttf s LEU 18 N 1.62 2.16 -0.26 2.44 0.20 0.90 0.39 118.68 126.13 1ttf s LEU 18 Ca -0.08 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.32 1ttf s LEU 18 Cb -0.05 -0.59 0.06 0.00 -0.43 0.00 0.00 46.19 45.19 1ttf s LEU 18 CO -0.16 0.03 -0.10 -0.22 -0.29 0.00 0.00 176.35 175.60 1ttf s LEU 19 N -1.09 3.45 0.04 -0.68 1.98 -0.99 -1.69 118.68 119.70 1ttf s LEU 19 Ca 0.01 -1.41 0.03 0.00 -2.89 0.00 0.00 54.13 49.88 1ttf s LEU 19 Cb -0.08 -1.54 -0.04 0.00 0.66 0.00 0.00 46.19 45.20 1ttf s LEU 19 CO 0.01 -0.20 -0.02 0.27 -1.89 0.00 0.00 176.35 174.53 1ttf s ILE 20 N 1.10 3.95 -0.05 6.68 -5.25 -1.00 -1.76 121.20 124.88 1ttf s ILE 20 Ca -0.08 -0.81 -0.02 0.00 -0.99 0.00 0.00 60.65 58.74 1ttf s ILE 20 Cb -0.20 -2.80 0.03 0.00 2.95 0.00 0.00 42.46 42.44 1ttf s ILE 20 CO -0.05 0.28 0.12 -0.94 -1.79 0.00 0.00 174.94 172.55 1ttf s SER 21 N -1.82 -0.07 0.00 4.36 1.04 -1.05 -2.45 113.70 113.71 1ttf s SER 21 Ca 0.21 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1ttf s SER 21 Cb -0.11 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1ttf s SER 21 CO 0.13 -0.13 0.00 -2.67 0.98 0.00 0.00 173.24 171.54 1ttf n TRP 22 N 4.08 0.00 -4.07 5.02 2.14 -1.04 -2.36 117.44 121.21 1ttf n TRP 22 Ca -0.25 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.23 1ttf n TRP 22 Cb 0.52 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.93 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 0.32 -0.05 -0.67 2.15 -1.26 -4.82 116.67 113.34 1ttf s ASP 23 Ca 0.00 -1.03 0.00 0.00 0.43 0.00 0.00 52.55 51.95 1ttf s ASP 23 Cb 0.00 0.28 0.02 0.00 -0.30 0.00 0.00 42.92 42.93 1ttf s ASP 23 CO 0.00 -0.70 -0.02 0.00 -0.17 0.00 0.00 175.17 174.27 1ttf s ALA 24 N -3.97 0.58 1.38 3.66 0.00 -1.26 -4.70 121.76 117.45 1ttf s ALA 24 Ca 0.15 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 1ttf s ALA 24 Cb 0.07 -0.47 0.32 0.00 0.00 0.00 0.00 23.12 23.04 1ttf s ALA 24 CO -0.04 -0.13 0.71 -2.30 0.00 0.00 0.00 175.76 174.00 1ttf n PRO 25 N 4.33 -4.24 0.04 0.00 -0.02 -1.26 -4.95 135.00 128.90 1ttf n PRO 25 Ca -0.21 -1.20 0.11 0.00 -2.02 0.00 0.00 63.50 60.18 1ttf n PRO 25 Cb 0.50 -1.60 -0.09 0.00 -0.02 0.00 0.00 33.50 32.30 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 -5.33 2.71 -0.65 3.55 0.00 -1.26 -4.94 120.51 114.58 1ttf n ALA 26 Ca -0.16 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 1ttf n ALA 26 Cb 0.49 -0.92 0.18 0.00 0.00 0.00 0.00 19.45 19.20 1ttf n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ttf n VAL 27 N -2.44 0.00 -1.80 0.00 0.31 -1.26 -4.80 118.33 108.35 1ttf n VAL 27 Ca -0.02 -0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 1ttf n VAL 27 Cb 0.56 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.47 1ttf n VAL 27 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ttf n THR 28 N -4.33 2.68 -2.18 2.52 -1.04 -1.26 -4.92 114.28 105.75 1ttf n THR 28 Ca 0.11 -2.55 -0.42 0.00 -2.04 0.00 0.00 64.05 59.15 1ttf n THR 28 Cb 0.52 -2.36 -0.03 0.00 -1.82 0.00 0.00 70.33 66.64 1ttf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ttf s VAL 29 N 5.80 3.43 0.08 12.58 1.01 -1.26 -4.89 120.40 137.15 1ttf s VAL 29 Ca 0.57 0.97 -0.35 0.00 0.00 0.00 0.00 61.98 63.17 1ttf s VAL 29 Cb 0.09 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.68 1ttf s VAL 29 CO 0.06 0.05 1.54 -0.09 0.00 0.00 0.00 175.10 176.66 1ttf h ARG 30 N 7.21 -0.95 -2.11 2.72 2.43 -1.63 -3.44 114.38 118.61 1ttf h ARG 30 Ca -0.41 0.06 0.22 0.00 -0.81 0.00 0.00 59.98 59.04 1ttf h ARG 30 Cb 1.20 0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 30.88 1ttf h ARG 30 CO 0.88 -0.64 0.58 1.52 -1.51 0.00 0.00 179.97 180.80 1ttf s TYR 31 N -5.74 -0.10 0.04 2.20 -0.85 -1.10 -4.48 117.35 107.32 1ttf s TYR 31 Ca -0.17 -0.15 0.08 0.00 -0.52 0.00 0.00 57.07 56.31 1ttf s TYR 31 Cb 0.04 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.97 1ttf s TYR 31 CO 0.58 -0.69 -0.24 0.71 -1.52 0.00 0.00 175.55 174.39 1ttf s TYR 32 N -3.05 2.10 -0.28 -3.49 1.51 -0.45 -2.76 117.35 110.94 1ttf s TYR 32 Ca 0.13 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1ttf s TYR 32 Cb 0.00 -1.26 0.06 0.00 -0.11 0.00 0.00 41.96 40.65 1ttf s TYR 32 CO 0.01 0.10 -0.07 1.03 -1.11 0.00 0.00 175.55 175.51 1ttf s ARG 33 N -1.17 2.27 -0.36 -0.62 0.52 -1.07 -1.48 118.95 117.03 1ttf s ARG 33 Ca 0.10 -1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 53.80 1ttf s ARG 33 Cb -0.09 -3.00 -0.00 0.00 0.52 0.00 0.00 34.95 32.38 1ttf s ARG 33 CO 0.02 -0.60 0.38 0.42 0.02 0.00 0.00 175.30 175.54 1ttf s ILE 34 N 1.14 5.14 -0.01 1.52 1.09 -1.00 -2.38 121.20 126.71 1ttf s ILE 34 Ca -0.07 -0.05 0.04 0.00 -1.10 0.00 0.00 60.65 59.47 1ttf s ILE 34 Cb -0.20 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 1ttf s ILE 34 CO -0.04 -0.18 -0.12 0.42 -0.10 0.00 0.00 174.94 174.92 1ttf s THR 35 N 2.05 3.21 0.01 2.92 -4.23 -0.62 -1.43 115.64 117.56 1ttf s THR 35 Ca 0.12 -0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 59.68 1ttf s THR 35 Cb -0.17 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1ttf s THR 35 CO 0.12 0.46 0.20 -0.72 -0.54 0.00 0.00 174.62 174.14 1ttf s TYR 36 N -0.88 -0.01 0.00 3.99 1.13 -0.83 -1.59 117.35 119.17 1ttf s TYR 36 Ca 0.14 -0.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 1ttf s TYR 36 Cb -0.11 -0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.75 1ttf s TYR 36 CO 0.04 -0.37 0.00 0.41 -2.51 0.00 0.00 175.55 173.12 1ttf n GLY 37 N 1.12 2.32 3.50 5.49 0.00 -1.01 -2.83 105.19 113.77 1ttf n GLY 37 Ca -0.21 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1ttf n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ttf n GLU 38 N -0.86 0.13 0.08 1.61 -0.58 -1.26 -1.65 120.64 118.12 1ttf n GLU 38 Ca 0.00 0.10 0.12 0.00 -0.42 0.00 0.00 57.16 56.96 1ttf n GLU 38 Cb 0.00 -1.98 0.46 0.00 -0.57 0.00 0.00 31.44 29.35 1ttf n GLU 38 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1ttf n THR 39 N -2.89 0.62 0.00 2.62 -1.04 -1.26 -4.34 114.28 107.99 1ttf n THR 39 Ca 0.10 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ttf n THR 39 Cb 0.51 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1ttf n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 40 N 0.74 -0.69 0.00 3.41 0.00 -1.26 -5.00 105.19 102.39 1ttf n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.31 -0.22 0.00 -0.02 0.00 -1.26 -4.97 105.19 100.03 1ttf n GLY 41 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1ttf n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ttf n ASN 42 N 0.00 0.00 -2.67 1.61 4.13 -1.26 -4.10 115.26 112.97 1ttf n ASN 42 Ca 0.00 -0.75 -0.04 0.00 1.68 0.00 0.00 54.58 55.47 1ttf n ASN 42 Cb 0.00 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ttf n SER 43 N -0.85 -1.41 -4.63 6.41 3.41 -1.26 -5.12 113.62 110.18 1ttf n SER 43 Ca 0.10 -1.41 -0.43 0.00 -0.26 0.00 0.00 58.87 56.87 1ttf n SER 43 Cb 0.04 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 1ttf n SER 43 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1ttf s PRO 44 N 0.54 3.62 0.00 4.33 0.02 -1.26 -4.64 135.00 137.61 1ttf s PRO 44 Ca 0.25 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1ttf s PRO 44 Cb 0.17 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.47 1ttf s PRO 44 CO -0.10 -1.54 0.02 0.28 -0.33 0.00 0.00 177.00 175.34 1ttf n VAL 45 N 6.71 0.00 -3.43 3.83 0.31 -1.26 -5.02 118.33 119.47 1ttf n VAL 45 Ca 0.24 0.52 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 1ttf n VAL 45 Cb 0.44 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 -0.03 0.00 -3.82 5.55 0.00 -1.13 -5.06 117.38 112.89 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 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 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 -0.91 1.73 -0.28 3.69 4.04 -1.26 -1.96 118.70 123.75 1ttf s GLU 47 Ca 0.00 -0.94 -0.17 0.00 0.04 0.00 0.00 54.97 53.90 1ttf s GLU 47 Cb 0.00 0.60 0.09 0.00 0.02 0.00 0.00 34.13 34.84 1ttf s GLU 47 CO 0.00 -0.79 0.73 -0.59 -1.84 0.00 0.00 175.26 172.77 1ttf s PHE 48 N -3.88 -0.99 0.35 4.83 -0.71 -0.51 -5.00 117.98 112.07 1ttf s PHE 48 Ca 0.10 2.01 0.07 0.00 -1.04 0.00 0.00 56.93 58.07 1ttf s PHE 48 Cb -0.05 0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 42.32 1ttf s PHE 48 CO 0.05 -0.49 0.48 0.95 -1.34 0.00 0.00 175.22 174.88 1ttf s THR 49 N 1.47 3.82 0.08 -4.49 -4.23 -1.26 -2.38 115.64 108.65 1ttf s THR 49 Ca -0.09 -1.01 -0.09 0.00 -1.18 0.00 0.00 61.69 59.32 1ttf s THR 49 Cb -0.05 -3.31 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 1ttf s THR 49 CO -0.17 -0.12 0.18 0.68 -0.54 0.00 0.00 174.62 174.65 1ttf s VAL 50 N -2.22 0.14 -1.42 2.29 -7.23 -0.55 -4.97 120.40 106.44 1ttf s VAL 50 Ca 0.47 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1ttf s VAL 50 Cb -0.09 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1ttf s VAL 50 CO 0.31 -0.64 0.09 -0.81 -0.31 0.00 0.00 175.10 173.74 1ttf n PRO 51 N 0.07 0.12 -1.88 4.82 -0.04 -1.26 -1.34 135.00 135.49 1ttf n PRO 51 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 1ttf n PRO 51 Cb 0.62 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.10 0.88 0.12 0.55 0.00 -1.26 -4.61 105.19 100.97 1ttf n GLY 52 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1ttf n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ttf n SER 53 N -1.24 1.55 -4.59 1.61 2.88 -1.26 -4.84 113.62 107.73 1ttf n SER 53 Ca -0.20 0.08 -0.41 0.00 -1.33 0.00 0.00 58.87 57.00 1ttf n SER 53 Cb 0.64 -0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.75 1ttf n SER 53 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ttf s LYS 54 N -2.54 3.83 0.00 -1.46 1.02 -1.26 -4.90 119.74 114.42 1ttf s LYS 54 Ca -0.22 0.26 0.19 0.00 0.02 0.00 0.00 55.97 56.21 1ttf s LYS 54 Cb 0.08 -3.76 0.98 0.00 -0.52 0.00 0.00 37.83 34.60 1ttf s LYS 54 CO 0.73 -0.66 1.65 0.45 -0.92 0.00 0.00 175.35 176.60 1ttf n SER 55 N 6.01 0.45 -4.13 2.83 2.88 -1.26 -4.83 113.62 115.58 1ttf n SER 55 Ca -0.00 -1.52 -0.09 0.00 -1.33 0.00 0.00 58.87 55.93 1ttf n SER 55 Cb 0.49 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.82 1ttf n SER 55 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ttf s THR 56 N -1.94 0.47 0.12 2.46 2.01 -1.26 -2.49 115.64 115.01 1ttf s THR 56 Ca 0.28 -1.83 -0.25 0.00 0.31 0.00 0.00 61.69 60.20 1ttf s THR 56 Cb 0.14 -1.54 0.07 0.00 0.01 0.00 0.00 72.50 71.17 1ttf s THR 56 CO 0.22 -0.90 0.82 0.00 -0.69 0.00 0.00 174.62 174.07 1ttf s ALA 57 N -3.62 -1.64 0.03 7.40 0.00 -1.03 -5.04 121.76 117.86 1ttf s ALA 57 Ca 0.08 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1ttf s ALA 57 Cb 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1ttf s ALA 57 CO -0.07 -0.86 -0.09 0.99 0.00 0.00 0.00 175.76 175.73 1ttf s THR 58 N -3.42 0.71 0.07 0.00 2.01 -1.26 -2.38 115.64 111.37 1ttf s THR 58 Ca 0.07 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1ttf s THR 58 Cb -0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1ttf s THR 58 CO -0.04 -0.17 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.04 1ttf s ILE 59 N -0.97 0.49 0.30 1.82 1.01 -0.68 -5.00 121.20 118.17 1ttf s ILE 59 Ca -0.04 -1.72 -0.07 0.00 0.00 0.00 0.00 60.65 58.82 1ttf s ILE 59 Cb -0.08 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 1ttf s ILE 59 CO 0.01 -0.82 0.47 -0.44 0.00 0.00 0.00 174.94 174.15 1ttf s SER 60 N -2.71 0.40 0.00 3.58 0.01 -1.26 -0.07 113.70 113.66 1ttf s SER 60 Ca 0.06 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1ttf s SER 60 Cb 0.03 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1ttf s SER 60 CO -0.05 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 172.98 1ttf n GLY 61 N -0.47 0.89 0.00 3.44 0.00 -1.22 -4.93 105.19 102.90 1ttf n GLY 61 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.67 0.99 -0.00 -1.26 -5.05 117.00 108.01 1ttf n LEU 62 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1ttf n LEU 62 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1ttf n LEU 62 CO 0.00 0.00 -0.03 -0.75 -0.00 0.00 0.00 177.39 176.61 1ttf s LYS 63 N 2.35 0.27 0.48 1.47 2.20 -1.26 -4.50 119.74 120.75 1ttf s LYS 63 Ca 0.00 0.88 -0.24 0.00 -0.36 0.00 0.00 55.97 56.25 1ttf s LYS 63 Cb 0.00 0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 36.38 1ttf s LYS 63 CO 0.00 -0.24 1.37 -1.25 -0.36 0.00 0.00 175.35 174.87 1ttf s PRO 64 N 2.28 3.52 0.00 4.03 0.04 -1.26 -3.89 135.00 139.72 1ttf s PRO 64 Ca -0.02 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1ttf s PRO 64 Cb -0.11 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1ttf s PRO 64 CO -0.11 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1ttf n GLY 65 N 0.63 0.49 3.64 0.56 0.00 -0.35 -5.07 105.19 105.09 1ttf n GLY 65 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.56 0.00 0.23 1.61 0.11 -0.91 -5.02 120.40 113.86 1ttf s VAL 66 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 1ttf s VAL 66 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1ttf s VAL 66 CO 0.00 0.00 1.50 -0.62 -3.33 0.00 0.00 175.10 172.65 1ttf s ASP 67 N 0.40 6.60 -0.05 3.54 2.15 -1.26 -2.45 116.67 125.60 1ttf s ASP 67 Ca 0.01 2.68 0.02 0.00 0.43 0.00 0.00 52.55 55.69 1ttf s ASP 67 Cb -0.05 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 39.97 1ttf s ASP 67 CO -0.05 -0.77 -0.08 -0.31 -0.17 0.00 0.00 175.17 173.79 1ttf s TYR 68 N 0.39 1.04 -0.17 -5.34 2.02 -0.77 -4.29 117.35 110.23 1ttf s TYR 68 Ca 0.63 -0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 56.94 1ttf s TYR 68 Cb -0.43 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1ttf s TYR 68 CO 0.40 -0.22 0.00 0.99 -1.57 0.00 0.00 175.55 175.14 1ttf s THR 69 N 0.80 4.20 0.05 -0.71 2.01 -0.66 -2.11 115.64 119.22 1ttf s THR 69 Ca -0.13 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1ttf s THR 69 Cb -0.15 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1ttf s THR 69 CO 0.02 0.47 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.65 1ttf s ILE 70 N 0.49 2.20 -0.06 1.82 2.07 -1.10 -2.40 121.20 124.22 1ttf s ILE 70 Ca -0.01 -1.41 -0.02 0.00 -1.41 0.00 0.00 60.65 57.79 1ttf s ILE 70 Cb -0.14 -1.87 0.04 0.00 0.13 0.00 0.00 42.46 40.62 1ttf s ILE 70 CO 0.02 0.34 0.12 -0.89 -1.91 0.00 0.00 174.94 172.62 1ttf s THR 71 N -0.84 -0.13 -0.06 4.00 2.01 -0.62 -1.93 115.64 118.07 1ttf s THR 71 Ca 0.12 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.45 1ttf s THR 71 Cb -0.10 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1ttf s THR 71 CO 0.03 0.12 -0.21 0.68 -0.69 0.00 0.00 174.62 174.55 1ttf s VAL 72 N 1.67 2.47 -0.01 3.82 -7.23 -0.67 -1.58 120.40 118.87 1ttf s VAL 72 Ca -0.03 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 1ttf s VAL 72 Cb -0.12 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1ttf s VAL 72 CO -0.05 0.57 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.95 1ttf s TYR 73 N -0.36 2.93 -0.49 2.82 1.51 -1.00 -2.74 117.35 120.02 1ttf s TYR 73 Ca 0.03 -0.00 0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1ttf s TYR 73 Cb -0.12 -1.63 0.13 0.00 -0.11 0.00 0.00 41.96 40.22 1ttf s TYR 73 CO 0.02 0.39 0.23 0.00 -1.11 0.00 0.00 175.55 175.08 1ttf s ALA 74 N -0.99 3.20 -0.30 3.71 0.00 -1.26 -2.60 121.76 123.52 1ttf s ALA 74 Ca 0.17 -3.15 -0.10 0.00 0.00 0.00 0.00 51.96 48.88 1ttf s ALA 74 Cb -0.11 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 1ttf s ALA 74 CO 0.07 -1.98 0.16 0.08 0.00 0.00 0.00 175.76 174.10 1ttf s VAL 75 N -0.12 4.83 -0.05 0.00 1.01 -1.11 -4.13 120.40 120.84 1ttf s VAL 75 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1ttf s VAL 75 Cb -0.25 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1ttf s VAL 75 CO -0.01 0.13 -0.05 1.07 0.00 0.00 0.00 175.10 176.25 1ttf n THR 76 N 5.01 0.26 -0.59 3.92 5.66 -1.26 -2.32 114.28 124.96 1ttf n THR 76 Ca -0.14 -0.09 -0.30 0.00 -3.05 0.00 0.00 64.05 60.47 1ttf n THR 76 Cb 0.50 -0.91 0.27 0.00 -1.55 0.00 0.00 70.33 68.64 1ttf n THR 76 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ttf s GLY 77 N -4.62 1.48 -0.20 1.09 0.00 -1.21 -4.22 107.32 99.65 1ttf s GLY 77 Ca -0.06 -0.70 -0.21 0.00 0.00 0.00 0.00 44.72 43.75 1ttf s GLY 77 CO 0.10 0.22 0.21 3.21 0.00 0.00 0.00 173.10 176.83 1ttf h ARG 78 N -3.04 0.00 0.00 2.90 3.08 -1.97 -3.47 114.38 111.87 1ttf h ARG 78 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1ttf h ARG 78 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1ttf h ARG 78 CO 0.35 0.93 0.00 0.41 -1.07 0.00 0.00 179.97 180.59 1ttf n GLY 79 N 1.45 0.17 0.00 0.04 0.00 -1.26 -5.07 105.19 100.52 1ttf n GLY 79 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.03 1.61 8.00 -1.26 -4.97 116.55 119.96 1ttf n ASP 80 Ca 0.00 -0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.04 1ttf n ASP 80 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 1ttf n ASP 80 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ttf h SER 81 N 0.00 0.45 0.00 -2.24 0.02 -2.00 -3.40 113.55 106.38 1ttf h SER 81 Ca 0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1ttf h SER 81 Cb 0.12 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1ttf h SER 81 CO 0.00 1.67 0.00 -2.65 -1.14 0.00 0.00 176.83 174.71 1ttf n PRO 82 N -3.82 0.00 -3.84 3.45 -0.02 -1.26 -4.80 135.00 124.71 1ttf n PRO 82 Ca -0.25 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 1ttf n PRO 82 Cb 0.95 -0.99 -0.16 0.00 -0.02 0.00 0.00 33.50 33.28 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ttf s ALA 83 N -2.78 1.49 -0.25 3.55 0.00 -1.26 -5.08 121.76 117.42 1ttf s ALA 83 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1ttf s ALA 83 Cb 0.00 -1.30 0.08 0.00 0.00 0.00 0.00 23.12 21.90 1ttf s ALA 83 CO 0.00 -1.17 0.03 -1.54 0.00 0.00 0.00 175.76 173.09 1ttf s SER 84 N 1.62 3.67 0.16 0.00 1.04 -1.26 -3.33 113.70 115.60 1ttf s SER 84 Ca -0.03 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1ttf s SER 84 Cb -0.18 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 65.04 1ttf s SER 84 CO -0.07 -0.33 0.00 -1.54 0.98 0.00 0.00 173.24 172.28 1ttf n SER 85 N 4.83 -0.32 -3.96 7.02 3.41 -1.26 -5.02 113.62 118.33 1ttf n SER 85 Ca -0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.28 1ttf n SER 85 Cb 0.44 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.22 1ttf n SER 85 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ttf s LYS 86 N -0.48 1.68 0.71 4.33 2.20 -1.26 -5.02 119.74 121.89 1ttf s LYS 86 Ca 0.00 -0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 1ttf s LYS 86 Cb 0.00 -1.58 0.03 0.00 -1.51 0.00 0.00 37.83 34.77 1ttf s LYS 86 CO 0.00 -0.15 1.16 -1.25 -0.36 0.00 0.00 175.35 174.75 1ttf s PRO 87 N 1.29 2.35 0.03 4.03 0.04 -1.26 -4.77 135.00 136.71 1ttf s PRO 87 Ca -0.02 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1ttf s PRO 87 Cb -0.14 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ttf s PRO 87 CO -0.04 -1.63 0.15 -1.50 0.04 0.00 0.00 177.00 174.02 1ttf s ILE 88 N -2.17 0.11 0.03 0.56 1.10 -1.11 -5.04 121.20 114.68 1ttf s ILE 88 Ca 0.71 -0.89 -0.16 0.00 -0.51 0.00 0.00 60.65 59.80 1ttf s ILE 88 Cb -0.25 -0.78 0.03 0.00 0.15 0.00 0.00 42.46 41.61 1ttf s ILE 88 CO 0.44 -0.49 0.35 -0.94 -2.11 0.00 0.00 174.94 172.19 1ttf s SER 89 N -1.90 -0.20 -0.05 4.50 1.04 -1.26 -1.68 113.70 114.15 1ttf s SER 89 Ca -0.08 -0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.22 1ttf s SER 89 Cb -0.03 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1ttf s SER 89 CO -0.02 -0.60 0.19 0.27 0.98 0.00 0.00 173.24 174.07 1ttf s ILE 90 N -2.25 0.03 0.24 -1.02 -4.36 -0.81 -5.00 121.20 108.03 1ttf s ILE 90 Ca -0.07 -0.21 -0.04 0.00 -0.26 0.00 0.00 60.65 60.07 1ttf s ILE 90 Cb -0.02 -0.35 -0.05 0.00 1.25 0.00 0.00 42.46 43.29 1ttf s ILE 90 CO -0.01 -0.12 0.48 0.54 0.24 0.00 0.00 174.94 176.07 1ttf s ASN 91 N -0.37 6.44 -0.29 4.36 4.22 -1.26 -2.73 114.94 125.32 1ttf s ASN 91 Ca -0.05 0.61 -0.21 0.00 -2.14 0.00 0.00 52.86 51.07 1ttf s ASN 91 Cb -0.03 -2.10 0.14 0.00 1.28 0.00 0.00 41.25 40.54 1ttf s ASN 91 CO 0.01 -0.10 1.03 -0.47 -2.04 0.00 0.00 177.10 175.53 1ttf s TYR 92 N -1.94 -0.49 -0.56 1.54 6.14 -0.90 -5.00 117.35 116.14 1ttf s TYR 92 Ca 0.42 1.09 -0.28 0.00 0.64 0.00 0.00 57.07 58.94 1ttf s TYR 92 Cb -0.11 0.36 0.03 0.00 0.42 0.00 0.00 41.96 42.66 1ttf s TYR 92 CO 0.28 -0.24 1.19 0.50 0.64 0.00 0.00 175.55 177.92 1ttf s ARG 93 N 0.74 3.54 0.00 4.97 3.52 -1.26 -1.84 118.95 128.62 1ttf s ARG 93 Ca -0.02 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1ttf s ARG 93 Cb -0.04 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 1ttf s ARG 93 CO -0.11 -1.65 0.46 0.25 -0.81 0.00 0.00 175.30 173.45