#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 -1.08 0.00 4.52 1.04 -1.26 -5.01 113.70 111.91 1ttf s SER 2 Ca 0.00 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1ttf s SER 2 Cb 0.00 1.71 0.00 0.00 0.10 0.00 0.00 66.02 67.83 1ttf s SER 2 CO 0.00 -0.20 0.19 0.47 0.98 0.00 0.00 173.24 174.68 1ttf n ASP 3 N 5.30 0.00 -4.79 7.02 8.00 -1.26 -4.40 116.55 126.42 1ttf n ASP 3 Ca 0.06 -1.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.17 1ttf n ASP 3 Cb 0.55 0.00 -0.06 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 4.71 1.08 2.53 1.01 -1.26 -4.92 120.40 123.55 1ttf s VAL 4 Ca 0.00 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 1ttf s VAL 4 Cb 0.00 -3.97 0.20 0.00 0.00 0.00 0.00 36.38 32.61 1ttf s VAL 4 CO 0.00 0.50 0.82 -0.81 0.00 0.00 0.00 175.10 175.61 1ttf n PRO 5 N 2.03 -1.57 -3.67 2.72 -0.04 -1.26 -4.87 135.00 128.34 1ttf n PRO 5 Ca -0.08 -0.42 -0.02 0.00 -0.04 0.00 0.00 63.50 62.94 1ttf n PRO 5 Cb 0.50 -2.11 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1ttf s ARG 6 N -4.22 0.79 -1.29 0.54 1.70 -1.26 -5.01 118.95 110.21 1ttf s ARG 6 Ca 0.65 -0.42 -0.00 0.00 -0.47 0.00 0.00 55.73 55.49 1ttf s ARG 6 Cb -0.22 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1ttf s ARG 6 CO 0.64 -0.36 0.77 -0.25 -1.08 0.00 0.00 175.30 175.02 1ttf n ASP 7 N -0.43 -1.41 -4.80 -2.89 8.00 -1.26 -2.59 116.55 111.17 1ttf n ASP 7 Ca -0.07 -0.77 -0.37 0.00 0.71 0.00 0.00 54.79 54.29 1ttf n ASP 7 Cb 0.61 -4.29 -0.07 0.00 -0.02 0.00 0.00 41.12 37.36 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 -6.62 4.33 -0.01 0.64 1.43 -1.26 -4.03 118.68 113.17 1ttf s LEU 8 Ca 0.01 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1ttf s LEU 8 Cb -0.01 -2.28 0.11 0.00 0.03 0.00 0.00 46.19 44.04 1ttf s LEU 8 CO 0.79 0.25 1.20 -0.70 0.23 0.00 0.00 176.35 178.12 1ttf s GLU 9 N -0.31 0.56 -0.31 1.70 2.12 -0.99 -5.03 118.70 116.43 1ttf s GLU 9 Ca 0.16 -0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.04 1ttf s GLU 9 Cb -0.13 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 1ttf s GLU 9 CO 0.05 -0.25 0.39 0.08 -0.54 0.00 0.00 175.26 174.98 1ttf s VAL 10 N -2.62 5.15 0.00 3.70 1.01 -1.26 -2.62 120.40 123.76 1ttf s VAL 10 Ca 0.13 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1ttf s VAL 10 Cb 0.03 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1ttf s VAL 10 CO -0.03 -0.00 0.22 0.52 0.00 0.00 0.00 175.10 175.81 1ttf n VAL 11 N 5.22 0.00 -4.29 2.92 0.31 -0.96 -4.99 118.33 116.53 1ttf n VAL 11 Ca -0.08 0.44 -0.20 0.00 -0.01 0.00 0.00 64.34 64.49 1ttf n VAL 11 Cb 0.50 -0.89 -0.08 0.00 -0.91 0.00 0.00 33.84 32.46 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 -3.14 1.92 0.23 3.52 0.00 -1.24 -5.05 121.76 118.00 1ttf s ALA 12 Ca 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 51.96 49.86 1ttf s ALA 12 Cb 0.00 1.45 -0.02 0.00 0.00 0.00 0.00 23.12 24.55 1ttf s ALA 12 CO 0.00 -0.65 0.28 0.00 0.00 0.00 0.00 175.76 175.39 1ttf s ALA 13 N -3.43 0.62 0.03 0.00 0.00 -1.26 -1.93 121.76 115.78 1ttf s ALA 13 Ca 0.40 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1ttf s ALA 13 Cb 0.02 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.39 1ttf s ALA 13 CO 0.27 -0.70 0.06 0.95 0.00 0.00 0.00 175.76 176.34 1ttf s THR 14 N -4.05 0.12 -0.80 0.00 -4.23 0.34 -4.96 115.64 102.07 1ttf s THR 14 Ca 0.32 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1ttf s THR 14 Cb 0.04 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1ttf s THR 14 CO 0.12 -0.57 0.54 -2.65 -0.54 0.00 0.00 174.62 171.52 1ttf n PRO 15 N 1.07 0.00 -1.03 3.99 -0.02 -1.26 -1.33 135.00 136.42 1ttf n PRO 15 Ca -0.21 0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.38 1ttf n PRO 15 Cb 0.57 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 1ttf n PRO 15 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1ttf n THR 16 N -1.04 0.00 -3.65 3.45 5.66 -1.26 -4.80 114.28 112.64 1ttf n THR 16 Ca 0.00 -0.22 -0.03 0.00 -3.05 0.00 0.00 64.05 60.74 1ttf n THR 16 Cb 0.12 0.55 -0.07 0.00 -1.55 0.00 0.00 70.33 69.39 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ttf s SER 17 N -1.11 -0.25 0.05 1.09 1.04 -0.44 -4.19 113.70 109.89 1ttf s SER 17 Ca 0.08 0.45 0.05 0.00 0.48 0.00 0.00 55.95 57.01 1ttf s SER 17 Cb 0.09 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 1ttf s SER 17 CO -0.04 -0.07 -0.10 -0.22 0.98 0.00 0.00 173.24 173.79 1ttf s LEU 18 N 0.56 3.01 -0.30 2.42 2.96 -0.34 0.13 118.68 127.11 1ttf s LEU 18 Ca -0.00 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1ttf s LEU 18 Cb -0.04 -1.77 0.08 0.00 0.50 0.00 0.00 46.19 44.96 1ttf s LEU 18 CO -0.12 0.24 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.92 1ttf s LEU 19 N -1.72 3.95 0.11 -0.68 2.96 -0.81 -1.10 118.68 121.39 1ttf s LEU 19 Ca 0.18 -1.77 -0.02 0.00 -0.22 0.00 0.00 54.13 52.30 1ttf s LEU 19 Cb -0.11 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1ttf s LEU 19 CO 0.09 -0.30 0.30 0.27 -1.32 0.00 0.00 176.35 175.39 1ttf s ILE 20 N 1.06 5.28 -0.08 6.68 -4.36 -0.73 -2.27 121.20 126.78 1ttf s ILE 20 Ca 0.02 -0.22 -0.06 0.00 -0.26 0.00 0.00 60.65 60.13 1ttf s ILE 20 Cb -0.19 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.90 1ttf s ILE 20 CO -0.08 0.06 0.20 -0.44 0.24 0.00 0.00 174.94 174.93 1ttf s SER 21 N -2.56 -0.21 0.00 4.36 0.01 -1.08 -2.16 113.70 112.06 1ttf s SER 21 Ca 0.38 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1ttf s SER 21 Cb -0.12 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1ttf s SER 21 CO 0.27 -0.09 0.00 -2.67 0.41 0.00 0.00 173.24 171.16 1ttf n TRP 22 N 3.21 0.00 -3.94 2.43 2.14 -0.54 -2.34 117.44 118.40 1ttf n TRP 22 Ca -0.15 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.30 1ttf n TRP 22 Cb 0.57 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.94 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 1.24 0.16 0.22 -0.67 -1.08 -1.07 -4.71 116.67 110.77 1ttf s ASP 23 Ca 0.00 -0.11 -0.01 0.00 -0.52 0.00 0.00 52.55 51.91 1ttf s ASP 23 Cb 0.00 0.01 -0.04 0.00 -1.46 0.00 0.00 42.92 41.42 1ttf s ASP 23 CO 0.00 -0.04 0.42 0.00 0.52 0.00 0.00 175.17 176.07 1ttf s ALA 24 N -0.29 3.80 1.19 3.66 0.00 -1.26 -4.16 121.76 124.69 1ttf s ALA 24 Ca -0.02 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 1ttf s ALA 24 Cb -0.02 -2.03 0.29 0.00 0.00 0.00 0.00 23.12 21.36 1ttf s ALA 24 CO -0.00 0.37 1.02 -1.25 0.00 0.00 0.00 175.76 175.90 1ttf s PRO 25 N -3.45 -1.08 0.20 0.00 0.04 -1.26 -4.92 135.00 124.53 1ttf s PRO 25 Ca 0.39 0.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 1ttf s PRO 25 Cb -0.11 -1.54 0.14 0.00 0.04 0.00 0.00 34.50 33.03 1ttf s PRO 25 CO 0.30 -3.81 1.62 0.00 0.04 0.00 0.00 177.00 175.14 1ttf h ALA 26 N -2.68 0.84 -2.33 8.56 0.00 -1.98 -3.44 119.26 118.23 1ttf h ALA 26 Ca -0.62 -0.37 -0.52 0.00 0.00 0.00 0.00 54.91 53.40 1ttf h ALA 26 Cb 1.34 -0.16 0.18 0.00 0.00 0.00 0.00 17.79 19.15 1ttf h ALA 26 CO 0.50 0.64 0.26 0.08 0.00 0.00 0.00 179.25 180.74 1ttf s VAL 27 N -4.67 2.24 0.73 0.00 1.01 -1.26 -4.96 120.40 113.49 1ttf s VAL 27 Ca -0.10 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 1ttf s VAL 27 Cb 0.13 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1ttf s VAL 27 CO 0.85 -0.10 1.08 0.42 0.00 0.00 0.00 175.10 177.35 1ttf s THR 28 N -2.59 3.51 -0.04 3.92 -4.23 -1.26 -5.04 115.64 109.91 1ttf s THR 28 Ca 0.67 0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 61.69 1ttf s THR 28 Cb -0.23 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.56 1ttf s THR 28 CO 0.56 -0.61 0.05 -0.69 -0.54 0.00 0.00 174.62 173.39 1ttf s VAL 29 N -2.84 -0.05 0.14 2.29 1.01 -1.26 -4.76 120.40 114.92 1ttf s VAL 29 Ca 0.61 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 1ttf s VAL 29 Cb -0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1ttf s VAL 29 CO 0.53 0.17 1.65 0.03 0.00 0.00 0.00 175.10 177.48 1ttf h ARG 30 N 8.19 -0.21 -1.82 2.72 3.08 -1.72 -3.41 114.38 121.21 1ttf h ARG 30 Ca -0.20 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.08 1ttf h ARG 30 Cb 1.12 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 31.07 1ttf h ARG 30 CO 0.23 -0.14 0.68 1.52 -1.07 0.00 0.00 179.97 181.18 1ttf s TYR 31 N -6.12 -0.18 0.44 3.04 -0.85 -1.15 -4.26 117.35 108.26 1ttf s TYR 31 Ca -0.15 0.06 0.07 0.00 -0.52 0.00 0.00 57.07 56.54 1ttf s TYR 31 Cb 0.11 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 1ttf s TYR 31 CO 0.68 -0.40 0.33 0.71 -1.52 0.00 0.00 175.55 175.35 1ttf s TYR 32 N -2.74 2.47 -0.19 -3.49 1.51 0.12 -2.62 117.35 112.40 1ttf s TYR 32 Ca 0.09 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1ttf s TYR 32 Cb -0.00 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.85 1ttf s TYR 32 CO -0.05 -0.11 0.07 0.50 -1.11 0.00 0.00 175.55 174.85 1ttf s ARG 33 N -4.10 0.33 -0.37 -0.62 3.52 -0.67 -2.30 118.95 114.73 1ttf s ARG 33 Ca 0.44 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.60 1ttf s ARG 33 Cb -0.01 -1.89 -0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1ttf s ARG 33 CO 0.25 -0.70 0.31 0.42 -0.81 0.00 0.00 175.30 174.77 1ttf s ILE 34 N 2.01 5.23 -0.07 4.11 1.09 -0.07 -1.81 121.20 131.69 1ttf s ILE 34 Ca 0.02 -0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.33 1ttf s ILE 34 Cb -0.16 -3.84 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1ttf s ILE 34 CO -0.11 -0.16 -0.20 0.42 -0.10 0.00 0.00 174.94 174.78 1ttf s THR 35 N 1.83 2.48 0.05 2.92 -4.23 -0.17 -1.13 115.64 117.38 1ttf s THR 35 Ca 0.08 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1ttf s THR 35 Cb -0.18 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1ttf s THR 35 CO 0.11 0.57 0.01 -0.72 -0.54 0.00 0.00 174.62 174.05 1ttf s TYR 36 N -0.24 0.40 -0.21 3.99 1.13 -1.07 -0.48 117.35 120.86 1ttf s TYR 36 Ca -0.00 -0.86 -0.29 0.00 -1.41 0.00 0.00 57.07 54.51 1ttf s TYR 36 Cb -0.13 -0.29 0.15 0.00 -1.10 0.00 0.00 41.96 40.58 1ttf s TYR 36 CO 0.03 -0.36 1.12 0.20 -2.51 0.00 0.00 175.55 174.03 1ttf s GLY 37 N -2.56 -0.13 0.00 5.49 0.00 -1.04 -1.79 107.32 107.29 1ttf s GLY 37 Ca 0.01 2.39 0.00 0.00 0.00 0.00 0.00 44.72 47.12 1ttf s GLY 37 CO -0.08 1.19 0.00 -1.84 0.00 0.00 0.00 173.10 172.37 1ttf n GLU 38 N 0.88 0.47 0.00 2.90 0.28 -1.26 -2.15 120.64 121.76 1ttf n GLU 38 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1ttf n GLU 38 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 1ttf n GLU 38 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1ttf n THR 39 N -1.51 0.00 0.00 3.84 5.66 -1.24 -4.19 114.28 116.84 1ttf n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ttf n THR 39 Cb 0.00 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1ttf n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttf n GLY 40 N 0.00 -3.20 1.98 1.09 0.00 -1.26 -4.92 105.19 98.88 1ttf n GLY 40 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.78 -5.24 0.32 -0.02 0.00 -1.26 -4.56 105.19 93.64 1ttf n GLY 41 Ca 0.00 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 45.88 1ttf n GLY 41 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ttf h ASN 42 N 3.70 0.00 -4.97 1.61 2.35 -2.00 -3.43 115.58 112.84 1ttf h ASN 42 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1ttf h ASN 42 Cb 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1ttf h ASN 42 CO 0.00 0.00 0.27 -0.94 -1.65 0.00 0.00 177.43 175.11 1ttf s SER 43 N -4.72 -0.46 0.81 5.81 1.04 -1.26 -5.16 113.70 109.76 1ttf s SER 43 Ca -0.04 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.13 1ttf s SER 43 Cb 0.10 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.90 1ttf s SER 43 CO 0.33 -0.99 1.15 -2.16 0.98 0.00 0.00 173.24 172.54 1ttf s PRO 44 N -3.68 1.72 -0.05 4.02 0.04 -1.26 -4.85 135.00 130.94 1ttf s PRO 44 Ca 0.04 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1ttf s PRO 44 Cb -0.02 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 1ttf s PRO 44 CO -0.08 -2.10 0.69 0.28 0.04 0.00 0.00 177.00 175.83 1ttf h VAL 45 N -1.15 0.38 -1.14 -0.36 2.07 -1.70 -3.49 116.25 110.87 1ttf h VAL 45 Ca -0.45 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1ttf h VAL 45 Cb 1.27 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1ttf h VAL 45 CO 0.47 0.10 0.00 1.67 0.02 0.00 0.00 177.57 179.83 1ttf n GLN 46 N -5.02 0.00 -3.53 1.57 -0.06 -1.11 -5.05 117.38 104.18 1ttf n GLN 46 Ca -0.07 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.86 1ttf n GLN 46 Cb 0.22 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.38 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 1ttf s GLU 47 N -1.07 0.67 -0.20 3.69 -1.05 -1.26 -2.59 118.70 116.89 1ttf s GLU 47 Ca 0.00 -0.23 -0.27 0.00 -0.15 0.00 0.00 54.97 54.32 1ttf s GLU 47 Cb 0.00 0.31 0.07 0.00 -0.44 0.00 0.00 34.13 34.07 1ttf s GLU 47 CO 0.00 -0.29 0.71 -0.59 0.95 0.00 0.00 175.26 176.05 1ttf s PHE 48 N -2.82 -0.74 0.29 4.83 -0.71 -0.28 -5.00 117.98 113.55 1ttf s PHE 48 Ca 0.06 1.64 0.07 0.00 -1.04 0.00 0.00 56.93 57.66 1ttf s PHE 48 Cb -0.01 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 1ttf s PHE 48 CO -0.07 -0.45 0.22 0.95 -1.34 0.00 0.00 175.22 174.52 1ttf s THR 49 N -0.15 3.95 0.06 -4.49 -4.23 -1.26 -0.89 115.64 108.62 1ttf s THR 49 Ca -0.04 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1ttf s THR 49 Cb -0.03 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 1ttf s THR 49 CO 0.04 -0.27 0.03 0.68 -0.54 0.00 0.00 174.62 174.56 1ttf s VAL 50 N -2.23 0.19 -1.51 2.29 -7.23 -0.97 -4.95 120.40 105.99 1ttf s VAL 50 Ca 0.36 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1ttf s VAL 50 Cb -0.07 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1ttf s VAL 50 CO 0.25 -0.86 0.15 -0.81 -0.31 0.00 0.00 175.10 173.51 1ttf n PRO 51 N 0.17 0.20 -0.53 4.82 -0.04 -1.26 -0.71 135.00 137.65 1ttf n PRO 51 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ttf n PRO 51 Cb 0.61 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 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 0.15 0.55 0.00 -1.26 -4.46 105.19 100.22 1ttf n GLY 52 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.57 -3.60 1.61 0.02 -1.86 -3.42 113.55 106.87 1ttf h SER 53 Ca 0.00 -0.69 -0.64 0.00 -0.84 0.00 0.00 61.79 59.63 1ttf h SER 53 Cb 0.18 -0.17 -0.14 0.00 0.14 0.00 0.00 62.40 62.41 1ttf h SER 53 CO 0.00 1.17 -0.02 -0.54 -1.14 0.00 0.00 176.83 176.29 1ttf s LYS 54 N -3.50 3.75 -0.01 3.45 1.02 -1.26 -4.91 119.74 118.28 1ttf s LYS 54 Ca -0.13 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1ttf s LYS 54 Cb 0.05 -3.76 0.02 0.00 -0.52 0.00 0.00 37.83 33.62 1ttf s LYS 54 CO 0.82 -0.57 0.59 0.43 -0.92 0.00 0.00 175.35 175.70 1ttf n SER 55 N 5.72 1.36 -3.81 2.83 7.64 -1.26 -4.71 113.62 121.39 1ttf n SER 55 Ca -0.04 -2.03 -0.16 0.00 1.01 0.00 0.00 58.87 57.65 1ttf n SER 55 Cb 0.49 -0.51 -0.16 0.00 -1.01 0.00 0.00 64.21 63.03 1ttf n SER 55 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ttf s THR 56 N -0.94 0.08 0.17 0.44 -4.23 -1.26 -1.47 115.64 108.43 1ttf s THR 56 Ca 0.02 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1ttf s THR 56 Cb 0.01 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.62 1ttf s THR 56 CO 0.00 0.12 0.03 0.00 -0.54 0.00 0.00 174.62 174.23 1ttf s ALA 57 N 0.96 1.27 0.01 3.99 0.00 -0.92 -5.04 121.76 122.04 1ttf s ALA 57 Ca -0.09 -1.60 0.02 0.00 0.00 0.00 0.00 51.96 50.29 1ttf s ALA 57 Cb -0.13 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1ttf s ALA 57 CO -0.02 -0.39 -0.05 -0.08 0.00 0.00 0.00 175.76 175.22 1ttf s THR 58 N -3.78 0.40 0.28 0.00 -1.32 -1.26 -1.78 115.64 108.18 1ttf s THR 58 Ca 0.26 -0.54 0.12 0.00 -1.21 0.00 0.00 61.69 60.32 1ttf s THR 58 Cb 0.07 -0.40 -0.05 0.00 -1.51 0.00 0.00 72.50 70.61 1ttf s THR 58 CO 0.05 -0.10 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.53 1ttf s ILE 59 N -0.62 2.51 -0.11 5.08 1.01 -0.26 -4.98 121.20 123.83 1ttf s ILE 59 Ca -0.03 -2.39 -0.11 0.00 0.00 0.00 0.00 60.65 58.12 1ttf s ILE 59 Cb -0.05 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.13 1ttf s ILE 59 CO -0.00 -0.40 0.30 -0.55 0.00 0.00 0.00 174.94 174.29 1ttf s SER 60 N -3.52 -0.30 0.00 3.58 0.15 -1.26 -1.20 113.70 111.15 1ttf s SER 60 Ca 0.30 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1ttf s SER 60 Cb -0.05 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1ttf s SER 60 CO 0.15 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1ttf n GLY 61 N 2.84 1.31 3.91 9.45 0.00 -1.26 -5.04 105.19 116.40 1ttf n GLY 61 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1ttf n GLY 61 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ttf s LEU 62 N 0.00 2.92 -0.05 0.99 -0.00 -1.26 -5.09 118.68 116.19 1ttf s LEU 62 Ca 0.00 0.75 0.01 0.00 -0.00 0.00 0.00 54.13 54.89 1ttf s LEU 62 Cb 0.00 -3.47 0.02 0.00 -0.00 0.00 0.00 46.19 42.74 1ttf s LEU 62 CO 0.00 -1.41 -0.04 -0.75 -0.00 0.00 0.00 176.35 174.15 1ttf s LYS 63 N -5.24 0.79 -0.20 1.48 2.47 -1.26 -4.65 119.74 113.13 1ttf s LYS 63 Ca 0.58 -0.07 -0.31 0.00 -1.56 0.00 0.00 55.97 54.61 1ttf s LYS 63 Cb -0.11 -0.84 -0.08 0.00 -1.46 0.00 0.00 37.83 35.34 1ttf s LYS 63 CO 0.47 -0.11 2.14 -2.30 0.16 0.00 0.00 175.35 175.71 1ttf n PRO 64 N 4.18 1.90 0.00 4.03 -0.02 -1.26 -3.78 135.00 140.05 1ttf n PRO 64 Ca -0.23 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1ttf n PRO 64 Cb 0.51 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 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 5.61 0.00 3.29 -1.23 0.00 -1.06 -5.13 105.19 106.67 1ttf n GLY 65 Ca 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.08 0.44 1.61 0.11 -0.98 -5.06 120.40 116.60 1ttf s VAL 66 Ca 0.00 -0.70 -0.23 0.00 -2.93 0.00 0.00 61.98 58.12 1ttf s VAL 66 Cb 0.00 -1.15 -0.08 0.00 -1.53 0.00 0.00 36.38 33.62 1ttf s VAL 66 CO 0.00 -0.39 1.09 -0.62 -3.33 0.00 0.00 175.10 171.85 1ttf s ASP 67 N -2.62 6.46 -0.13 3.54 2.15 -1.26 -2.53 116.67 122.28 1ttf s ASP 67 Ca 0.01 2.10 -0.06 0.00 0.43 0.00 0.00 52.55 55.04 1ttf s ASP 67 Cb 0.02 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 40.11 1ttf s ASP 67 CO -0.09 -0.70 0.28 -0.31 -0.17 0.00 0.00 175.17 174.17 1ttf s TYR 68 N -1.69 -0.42 -0.13 -5.34 2.02 -0.89 -3.69 117.35 107.22 1ttf s TYR 68 Ca 0.62 0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 58.25 1ttf s TYR 68 Cb -0.23 0.07 -0.02 0.00 -0.40 0.00 0.00 41.96 41.38 1ttf s TYR 68 CO 0.28 -0.29 -0.08 0.99 -1.57 0.00 0.00 175.55 174.88 1ttf s THR 69 N 1.64 3.55 0.19 -0.71 2.01 -0.91 -2.46 115.64 118.95 1ttf s THR 69 Ca -0.06 -0.49 0.11 0.00 0.31 0.00 0.00 61.69 61.55 1ttf s THR 69 Cb -0.11 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1ttf s THR 69 CO -0.09 0.53 -0.23 0.27 -0.69 0.00 0.00 174.62 174.40 1ttf s ILE 70 N 0.11 2.43 -0.03 1.82 -4.36 -1.12 -2.49 121.20 117.56 1ttf s ILE 70 Ca -0.03 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.36 1ttf s ILE 70 Cb -0.14 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.42 1ttf s ILE 70 CO 0.04 -0.12 -0.04 0.42 0.24 0.00 0.00 174.94 175.47 1ttf s THR 71 N -1.69 0.49 0.01 8.37 -4.23 0.37 -2.49 115.64 116.47 1ttf s THR 71 Ca 0.21 -0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1ttf s THR 71 Cb -0.08 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.24 1ttf s THR 71 CO 0.10 0.20 -0.24 0.68 -0.54 0.00 0.00 174.62 174.83 1ttf s VAL 72 N 0.70 1.88 -0.06 2.29 -7.23 -0.83 -1.00 120.40 116.15 1ttf s VAL 72 Ca -0.09 -1.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1ttf s VAL 72 Cb -0.12 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.23 1ttf s VAL 72 CO -0.00 0.40 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.72 1ttf s TYR 73 N -0.68 1.73 -0.37 2.82 1.51 -0.75 -2.49 117.35 119.11 1ttf s TYR 73 Ca 0.09 -0.57 -0.09 0.00 -1.01 0.00 0.00 57.07 55.50 1ttf s TYR 73 Cb -0.09 -1.19 0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1ttf s TYR 73 CO 0.01 -0.23 0.18 0.00 -1.11 0.00 0.00 175.55 174.39 1ttf s ALA 74 N 0.26 3.18 -0.30 3.71 0.00 -1.26 -1.68 121.76 125.68 1ttf s ALA 74 Ca -0.09 -1.84 -0.06 0.00 0.00 0.00 0.00 51.96 49.96 1ttf s ALA 74 Cb -0.14 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.53 1ttf s ALA 74 CO 0.03 -1.44 0.08 0.08 0.00 0.00 0.00 175.76 174.51 1ttf s VAL 75 N 1.46 3.85 -0.22 0.00 1.01 -1.08 -4.52 120.40 120.90 1ttf s VAL 75 Ca 0.01 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1ttf s VAL 75 Cb -0.20 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 1ttf s VAL 75 CO 0.04 0.02 0.23 0.41 0.00 0.00 0.00 175.10 175.79 1ttf n THR 76 N 4.84 0.00 -1.57 3.92 -1.04 -1.26 -2.43 114.28 116.73 1ttf n THR 76 Ca -0.14 -0.30 -0.44 0.00 -2.04 0.00 0.00 64.05 61.12 1ttf n THR 76 Cb 0.47 0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 69.81 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttf n GLY 77 N 1.39 -0.43 0.01 3.41 0.00 -1.26 -4.56 105.19 103.74 1ttf n GLY 77 Ca 0.01 0.28 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ttf n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttf n ARG 78 N 0.65 2.82 0.00 1.61 1.74 -1.26 -4.82 116.66 117.40 1ttf n ARG 78 Ca 0.10 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1ttf n ARG 78 Cb 0.33 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 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 2.77 -2.90 0.48 -0.13 0.00 -1.26 -4.94 105.19 99.22 1ttf n GLY 79 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.68 -0.46 -4.65 1.61 5.75 -1.26 -5.10 116.55 111.76 1ttf n ASP 80 Ca 0.00 0.27 -0.43 0.00 -0.01 0.00 0.00 54.79 54.62 1ttf n ASP 80 Cb 0.00 0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 40.72 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ttf s SER 81 N -2.00 6.61 -0.06 -1.12 0.15 -1.26 -4.93 113.70 111.10 1ttf s SER 81 Ca 0.00 1.88 -0.29 0.00 0.70 0.00 0.00 55.95 58.24 1ttf s SER 81 Cb 0.00 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1ttf s SER 81 CO 0.00 -1.02 1.93 -2.16 1.20 0.00 0.00 173.24 173.19 1ttf s PRO 82 N 4.17 3.91 -0.06 5.44 0.04 -1.26 -4.96 135.00 142.29 1ttf s PRO 82 Ca 0.69 2.32 -0.15 0.00 0.04 0.00 0.00 61.00 63.90 1ttf s PRO 82 Cb -0.28 -4.16 -0.05 0.00 0.04 0.00 0.00 34.50 30.05 1ttf s PRO 82 CO 0.26 -1.20 0.38 0.00 0.04 0.00 0.00 177.00 176.49 1ttf s ALA 83 N 5.22 3.65 -0.73 8.56 0.00 -1.26 -5.00 121.76 132.20 1ttf s ALA 83 Ca 0.86 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 52.28 1ttf s ALA 83 Cb -0.37 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 1ttf s ALA 83 CO 0.37 0.32 1.84 -1.12 0.00 0.00 0.00 175.76 177.17 1ttf s SER 84 N -0.45 5.32 0.00 0.00 0.01 -1.26 -4.90 113.70 112.42 1ttf s SER 84 Ca 0.22 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1ttf s SER 84 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1ttf s SER 84 CO 0.10 -2.44 0.00 -0.24 0.41 0.00 0.00 173.24 171.07 1ttf n SER 85 N 12.84 0.00 -3.17 2.44 2.88 -1.26 -4.88 113.62 122.47 1ttf n SER 85 Ca 0.26 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.61 1ttf n SER 85 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 1ttf n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ttf n LYS 86 N 0.00 1.18 -0.73 -1.46 5.02 -1.26 -5.12 118.16 115.79 1ttf n LYS 86 Ca 0.00 -3.52 -0.32 0.00 -2.02 0.00 0.00 58.31 52.45 1ttf n LYS 86 Cb 0.00 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 33.41 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ttf n PRO 87 N 0.27 -0.62 -3.87 1.97 -0.02 -1.26 -4.87 135.00 126.59 1ttf n PRO 87 Ca 0.25 -0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1ttf n PRO 87 Cb 0.63 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.44 0.03 0.07 4.25 2.07 -1.04 -5.05 121.20 119.10 1ttf s ILE 88 Ca 0.60 -1.11 -0.12 0.00 -1.41 0.00 0.00 60.65 58.62 1ttf s ILE 88 Cb -0.21 -1.82 0.01 0.00 0.13 0.00 0.00 42.46 40.58 1ttf s ILE 88 CO 0.65 -0.14 0.26 -0.94 -1.91 0.00 0.00 174.94 172.86 1ttf s SER 89 N -2.94 -0.03 -0.12 4.50 1.04 -1.26 -1.96 113.70 112.93 1ttf s SER 89 Ca 0.15 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 56.06 1ttf s SER 89 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ttf s SER 89 CO 0.01 -0.69 0.32 0.27 0.98 0.00 0.00 173.24 174.14 1ttf s ILE 90 N -3.27 -0.01 -0.07 -1.02 -4.36 -1.04 -5.03 121.20 106.40 1ttf s ILE 90 Ca 0.00 0.03 -0.11 0.00 -0.26 0.00 0.00 60.65 60.31 1ttf s ILE 90 Cb 0.02 -0.46 -0.05 0.00 1.25 0.00 0.00 42.46 43.22 1ttf s ILE 90 CO -0.08 0.01 0.27 0.54 0.24 0.00 0.00 174.94 175.92 1ttf s ASN 91 N 0.42 6.59 -0.11 4.36 4.22 -1.26 -2.78 114.94 126.37 1ttf s ASN 91 Ca -0.02 0.70 -0.30 0.00 -2.14 0.00 0.00 52.86 51.10 1ttf s ASN 91 Cb -0.04 -2.16 0.08 0.00 1.28 0.00 0.00 41.25 40.42 1ttf s ASN 91 CO -0.02 0.37 0.76 -0.47 -2.04 0.00 0.00 177.10 175.70 1ttf s TYR 92 N -1.02 -0.62 -0.26 1.54 5.04 -1.03 -5.04 117.35 115.97 1ttf s TYR 92 Ca 0.19 1.16 -0.21 0.00 -2.44 0.00 0.00 57.07 55.76 1ttf s TYR 92 Cb -0.14 0.39 -0.02 0.00 0.35 0.00 0.00 41.96 42.55 1ttf s TYR 92 CO 0.08 -0.51 0.68 1.03 -1.34 0.00 0.00 175.55 175.49 1ttf s ARG 93 N -0.88 4.11 0.00 4.97 0.52 -1.26 -2.09 118.95 124.33 1ttf s ARG 93 Ca -0.07 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1ttf s ARG 93 Cb -0.01 -3.65 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1ttf s ARG 93 CO 0.06 -0.45 0.46 0.25 0.02 0.00 0.00 175.30 175.65