#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 -0.16 0.17 4.52 0.01 -1.11 -4.65 113.70 112.48 1ttf s SER 2 Ca 0.00 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1ttf s SER 2 Cb 0.00 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1ttf s SER 2 CO 0.00 -0.20 0.00 -0.67 0.41 0.00 0.00 173.24 172.78 1ttf n ASP 3 N 2.37 -0.29 -4.45 2.44 -0.08 -1.26 -4.53 116.55 110.74 1ttf n ASP 3 Ca -0.16 0.29 -0.43 0.00 -1.51 0.00 0.00 54.79 52.98 1ttf n ASP 3 Cb 0.57 0.41 -0.10 0.00 2.34 0.00 0.00 41.12 44.35 1ttf n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ttf s VAL 4 N -1.53 5.21 -0.14 5.18 1.01 -1.26 -4.65 120.40 124.22 1ttf s VAL 4 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1ttf s VAL 4 Cb 0.00 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1ttf s VAL 4 CO 0.00 -0.33 1.30 -2.16 0.00 0.00 0.00 175.10 173.91 1ttf s PRO 5 N 1.67 4.24 0.00 2.72 0.04 -1.26 -4.04 135.00 138.37 1ttf s PRO 5 Ca 0.05 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1ttf s PRO 5 Cb -0.19 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1ttf s PRO 5 CO 0.09 -0.70 0.00 0.54 0.04 0.00 0.00 177.00 176.98 1ttf n ARG 6 N 6.52 3.38 -1.26 4.56 1.74 -1.23 -4.92 116.66 125.46 1ttf n ARG 6 Ca 0.14 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 1ttf n ARG 6 Cb 0.45 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.75 1ttf n ARG 6 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ttf n ASP 7 N 0.00 -1.62 -4.98 0.55 5.68 -1.26 -4.29 116.55 110.63 1ttf n ASP 7 Ca 0.00 -0.85 -0.18 0.00 -0.50 0.00 0.00 54.79 53.26 1ttf n ASP 7 Cb 0.00 -0.54 -0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1ttf n ASP 7 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1ttf s LEU 8 N 0.00 3.59 0.00 -2.12 2.34 -1.26 -4.62 118.68 116.60 1ttf s LEU 8 Ca 0.79 -0.51 -0.25 0.00 0.06 0.00 0.00 54.13 54.22 1ttf s LEU 8 Cb -0.51 -2.50 0.08 0.00 -0.56 0.00 0.00 46.19 42.71 1ttf s LEU 8 CO 0.34 -0.74 1.13 1.21 -1.06 0.00 0.00 176.35 177.24 1ttf n GLU 9 N -1.78 0.22 -3.26 1.48 2.13 -1.01 -5.02 120.64 113.41 1ttf n GLU 9 Ca 0.07 -0.79 -0.39 0.00 0.66 0.00 0.00 57.16 56.71 1ttf n GLU 9 Cb 0.60 1.25 -0.06 0.00 0.27 0.00 0.00 31.44 33.50 1ttf n GLU 9 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ttf s VAL 10 N -2.04 5.14 -0.16 6.31 1.01 -1.26 -2.37 120.40 127.03 1ttf s VAL 10 Ca 0.26 1.01 0.21 0.00 0.00 0.00 0.00 61.98 63.47 1ttf s VAL 10 Cb -0.01 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1ttf s VAL 10 CO 0.00 0.25 0.84 0.55 0.00 0.00 0.00 175.10 176.74 1ttf n VAL 11 N 4.05 0.56 -3.63 2.92 3.14 -1.04 -5.01 118.33 119.32 1ttf n VAL 11 Ca -0.05 -0.57 -0.01 0.00 -2.96 0.00 0.00 64.34 60.75 1ttf n VAL 11 Cb 0.51 -0.31 -0.02 0.00 -1.06 0.00 0.00 33.84 32.96 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ttf s ALA 12 N -3.32 -2.27 -0.13 1.55 0.00 -1.24 -5.07 121.76 111.28 1ttf s ALA 12 Ca -0.03 1.76 -0.02 0.00 0.00 0.00 0.00 51.96 53.67 1ttf s ALA 12 Cb 0.10 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1ttf s ALA 12 CO 0.83 -0.64 0.01 0.00 0.00 0.00 0.00 175.76 175.96 1ttf s ALA 13 N -2.01 0.86 0.35 0.00 0.00 -1.26 -2.47 121.76 117.23 1ttf s ALA 13 Ca 0.12 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1ttf s ALA 13 Cb 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1ttf s ALA 13 CO -0.03 -0.77 0.53 0.95 0.00 0.00 0.00 175.76 176.44 1ttf s THR 14 N 1.91 4.67 -0.85 0.00 -4.23 0.19 -4.93 115.64 112.40 1ttf s THR 14 Ca 0.02 -0.66 -0.24 0.00 -1.18 0.00 0.00 61.69 59.63 1ttf s THR 14 Cb -0.14 -3.68 -0.20 0.00 1.34 0.00 0.00 72.50 69.81 1ttf s THR 14 CO -0.07 -0.39 2.48 -2.65 -0.54 0.00 0.00 174.62 173.45 1ttf n PRO 15 N -1.77 0.32 -2.78 3.99 -0.02 -1.26 0.13 135.00 133.61 1ttf n PRO 15 Ca -0.03 -0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 1ttf n PRO 15 Cb 0.57 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.96 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 7.35 -2.45 -3.50 3.45 -2.24 -1.26 -5.03 114.28 110.60 1ttf n THR 16 Ca 0.57 -0.17 0.01 0.00 -2.27 0.00 0.00 64.05 62.19 1ttf n THR 16 Cb 0.23 -3.40 -0.04 0.00 -2.10 0.00 0.00 70.33 65.01 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ttf s SER 17 N -3.51 -0.84 -0.12 3.42 1.04 0.12 -3.94 113.70 109.88 1ttf s SER 17 Ca 0.08 1.13 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 1ttf s SER 17 Cb -0.04 1.94 -0.03 0.00 0.10 0.00 0.00 66.02 67.99 1ttf s SER 17 CO 0.35 -0.16 0.03 -0.22 0.98 0.00 0.00 173.24 174.21 1ttf s LEU 18 N 2.66 3.69 -0.31 2.42 2.96 0.56 0.54 118.68 131.20 1ttf s LEU 18 Ca -0.04 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1ttf s LEU 18 Cb -0.09 -1.87 0.09 0.00 0.50 0.00 0.00 46.19 44.82 1ttf s LEU 18 CO -0.18 0.32 0.02 -0.22 -1.32 0.00 0.00 176.35 174.97 1ttf s LEU 19 N -0.53 3.73 0.53 -0.68 0.20 -1.03 -0.86 118.68 120.04 1ttf s LEU 19 Ca 0.10 -1.79 0.06 0.00 0.69 0.00 0.00 54.13 53.19 1ttf s LEU 19 Cb -0.12 -1.39 0.05 0.00 -0.43 0.00 0.00 46.19 44.30 1ttf s LEU 19 CO 0.02 -0.34 0.72 0.27 -0.29 0.00 0.00 176.35 176.74 1ttf s ILE 20 N 1.15 2.57 -0.28 6.68 -4.36 -1.01 -2.50 121.20 123.45 1ttf s ILE 20 Ca 0.05 -0.90 -0.17 0.00 -0.26 0.00 0.00 60.65 59.37 1ttf s ILE 20 Cb -0.19 -2.67 0.11 0.00 1.25 0.00 0.00 42.46 40.96 1ttf s ILE 20 CO -0.11 0.00 0.84 -0.94 0.24 0.00 0.00 174.94 174.97 1ttf s SER 21 N -4.51 -0.71 0.44 4.36 1.04 -1.00 -2.62 113.70 110.70 1ttf s SER 21 Ca 0.59 1.17 0.03 0.00 0.48 0.00 0.00 55.95 58.22 1ttf s SER 21 Cb -0.08 1.28 -0.04 0.00 0.10 0.00 0.00 66.02 67.28 1ttf s SER 21 CO 0.37 -0.19 0.04 -1.66 0.98 0.00 0.00 173.24 172.79 1ttf s TRP 22 N 1.34 2.00 0.45 5.02 -2.14 -1.05 -2.39 118.94 122.16 1ttf s TRP 22 Ca -0.08 -0.98 0.08 0.00 2.66 0.00 0.00 56.10 57.78 1ttf s TRP 22 Cb -0.04 -1.49 0.01 0.00 -3.10 0.00 0.00 33.47 28.84 1ttf s TRP 22 CO -0.16 0.12 0.48 0.34 -2.66 0.00 0.00 176.95 175.07 1ttf s ASP 23 N -3.72 5.17 -0.15 -2.66 2.15 -1.26 -4.79 116.67 111.42 1ttf s ASP 23 Ca 0.21 -0.72 -0.33 0.00 0.43 0.00 0.00 52.55 52.13 1ttf s ASP 23 Cb 0.05 -0.40 0.13 0.00 -0.30 0.00 0.00 42.92 42.40 1ttf s ASP 23 CO 0.11 -0.80 1.13 0.00 -0.17 0.00 0.00 175.17 175.43 1ttf s ALA 24 N -2.49 -2.01 1.00 3.66 0.00 -1.26 -3.46 121.76 117.20 1ttf s ALA 24 Ca 0.50 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1ttf s ALA 24 Cb -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1ttf s ALA 24 CO 0.30 -0.58 0.00 -0.35 0.00 0.00 0.00 175.76 175.12 1ttf n PRO 25 N -0.05 -0.54 -0.34 0.00 -0.04 -1.26 -4.92 135.00 127.84 1ttf n PRO 25 Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1ttf n PRO 25 Cb 0.59 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.29 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ttf n ALA 26 N -3.00 2.53 -1.83 0.55 0.00 -1.26 -4.54 120.51 112.95 1ttf n ALA 26 Ca 0.00 -1.45 -0.31 0.00 0.00 0.00 0.00 53.44 51.69 1ttf n ALA 26 Cb 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 18.80 1ttf n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ttf s VAL 27 N -1.46 4.01 0.05 0.00 0.11 -1.26 -5.01 120.40 116.84 1ttf s VAL 27 Ca 0.37 0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 59.77 1ttf s VAL 27 Cb 0.22 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 1ttf s VAL 27 CO 0.20 -0.85 0.96 0.42 -3.33 0.00 0.00 175.10 172.50 1ttf s THR 28 N -3.25 4.71 0.11 5.04 -4.23 -1.26 -4.08 115.64 112.68 1ttf s THR 28 Ca 0.57 2.04 0.03 0.00 -1.18 0.00 0.00 61.69 63.15 1ttf s THR 28 Cb -0.11 -4.31 -0.04 0.00 1.34 0.00 0.00 72.50 69.38 1ttf s THR 28 CO 0.53 0.23 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.07 1ttf s VAL 29 N 0.55 0.90 -0.03 2.29 1.01 -1.26 -4.95 120.40 118.90 1ttf s VAL 29 Ca 0.49 -1.80 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1ttf s VAL 29 Cb -0.22 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ttf s VAL 29 CO 0.28 -0.69 0.34 -0.09 0.00 0.00 0.00 175.10 174.95 1ttf h ARG 30 N 3.25 -0.16 0.00 2.72 9.65 -1.82 -3.44 114.38 124.58 1ttf h ARG 30 Ca -0.36 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.51 1ttf h ARG 30 Cb 1.18 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1ttf h ARG 30 CO 0.58 -0.11 0.25 2.48 2.80 0.00 0.00 179.97 185.97 1ttf n TYR 31 N -3.38 -2.17 -4.32 2.20 0.18 -1.12 -4.54 117.16 104.00 1ttf n TYR 31 Ca -0.02 -1.61 -0.18 0.00 1.88 0.00 0.00 57.90 57.97 1ttf n TYR 31 Cb 0.07 0.80 -0.09 0.00 -0.38 0.00 0.00 39.34 39.74 1ttf n TYR 31 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1ttf s TYR 32 N -3.03 1.58 0.00 -3.48 1.51 0.23 -2.40 117.35 111.76 1ttf s TYR 32 Ca 0.14 -1.39 -0.04 0.00 -1.01 0.00 0.00 57.07 54.77 1ttf s TYR 32 Cb -0.04 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1ttf s TYR 32 CO 0.10 -0.56 0.07 0.50 -1.11 0.00 0.00 175.55 174.55 1ttf s ARG 33 N -3.82 0.36 -0.19 -0.62 3.52 -1.08 -2.03 118.95 115.08 1ttf s ARG 33 Ca 0.36 -0.39 -0.05 0.00 -0.13 0.00 0.00 55.73 55.53 1ttf s ARG 33 Cb 0.05 0.14 0.07 0.00 -1.56 0.00 0.00 34.95 33.65 1ttf s ARG 33 CO 0.18 -0.07 0.10 0.42 -0.81 0.00 0.00 175.30 175.12 1ttf s ILE 34 N -1.17 -0.10 -0.04 4.11 1.09 -0.75 -2.65 121.20 121.68 1ttf s ILE 34 Ca -0.13 -0.27 0.06 0.00 -1.10 0.00 0.00 60.65 59.22 1ttf s ILE 34 Cb -0.07 -0.65 -0.02 0.00 -1.06 0.00 0.00 42.46 40.66 1ttf s ILE 34 CO 0.00 -0.36 -0.24 0.42 -0.10 0.00 0.00 174.94 174.66 1ttf s THR 35 N 2.14 2.19 -0.00 2.92 -4.23 -1.00 -1.49 115.64 116.18 1ttf s THR 35 Ca 0.04 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1ttf s THR 35 Cb -0.16 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 1ttf s THR 35 CO -0.14 0.58 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.76 1ttf s TYR 36 N -0.40 0.29 -0.08 3.99 1.13 -0.76 -2.15 117.35 119.37 1ttf s TYR 36 Ca 0.04 -0.06 -0.30 0.00 -1.41 0.00 0.00 57.07 55.33 1ttf s TYR 36 Cb -0.12 -0.19 0.10 0.00 -1.10 0.00 0.00 41.96 40.65 1ttf s TYR 36 CO 0.01 -0.01 0.83 0.20 -2.51 0.00 0.00 175.55 174.07 1ttf s GLY 37 N -0.10 -0.44 0.71 5.49 0.00 -1.11 -2.92 107.32 108.95 1ttf s GLY 37 Ca 0.01 1.53 -0.11 0.00 0.00 0.00 0.00 44.72 46.14 1ttf s GLY 37 CO -0.00 0.87 1.07 1.85 0.00 0.00 0.00 173.10 176.89 1ttf s GLU 38 N -1.53 2.70 0.00 2.90 2.12 -1.26 -2.40 118.70 121.24 1ttf s GLU 38 Ca -0.05 1.08 -0.04 0.00 0.36 0.00 0.00 54.97 56.32 1ttf s GLU 38 Cb -0.00 -1.96 -0.19 0.00 0.26 0.00 0.00 34.13 32.24 1ttf s GLU 38 CO 0.03 -1.29 2.82 2.41 -0.54 0.00 0.00 175.26 178.69 1ttf n THR 39 N -3.16 2.30 0.00 -1.70 -1.04 -1.25 -4.48 114.28 104.95 1ttf n THR 39 Ca 0.08 -1.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.00 1ttf n THR 39 Cb 0.53 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 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 2.46 -0.60 6.55 3.41 0.00 -1.26 -5.14 105.19 110.61 1ttf n GLY 40 Ca 0.30 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1ttf n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ttf n GLY 41 N 0.00 0.79 0.00 -0.02 0.00 -1.26 -3.98 105.19 100.72 1ttf n GLY 41 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.74 1.24 0.00 1.61 4.13 -1.26 -5.06 115.26 112.18 1ttf n ASN 42 Ca 0.00 -0.46 0.00 0.00 1.68 0.00 0.00 54.58 55.80 1ttf n ASN 42 Cb 0.00 1.23 0.00 0.00 -1.54 0.00 0.00 39.78 39.47 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1ttf n SER 43 N -1.54 0.00 -4.73 6.41 2.88 -1.26 -5.13 113.62 110.25 1ttf n SER 43 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 1ttf n SER 43 Cb 0.24 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 1ttf n SER 43 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ttf s PRO 44 N -2.00 4.17 0.00 -1.46 0.04 -1.26 -4.73 135.00 129.76 1ttf s PRO 44 Ca 0.00 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1ttf s PRO 44 Cb 0.00 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1ttf s PRO 44 CO 0.00 -0.63 0.72 0.28 0.04 0.00 0.00 177.00 177.41 1ttf n VAL 45 N 3.28 0.00 -3.92 -0.36 0.31 -1.15 -4.99 118.33 111.50 1ttf n VAL 45 Ca 0.12 1.22 0.01 0.00 -0.01 0.00 0.00 64.34 65.68 1ttf n VAL 45 Cb 0.37 -2.08 0.01 0.00 -0.91 0.00 0.00 33.84 31.23 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 -1.37 0.16 -3.89 5.55 0.00 -1.15 -5.06 117.38 111.62 1ttf n GLN 46 Ca 0.00 -0.55 -0.08 0.00 -0.00 0.00 0.00 57.00 56.37 1ttf n GLN 46 Cb 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 30.24 31.09 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 -2.01 1.76 -0.19 3.69 -1.05 -1.26 -1.83 118.70 117.81 1ttf s GLU 47 Ca 0.18 -1.08 -0.28 0.00 -0.15 0.00 0.00 54.97 53.65 1ttf s GLU 47 Cb -0.01 0.58 0.11 0.00 -0.44 0.00 0.00 34.13 34.37 1ttf s GLU 47 CO 0.00 -0.79 0.92 -0.59 0.95 0.00 0.00 175.26 175.74 1ttf s PHE 48 N -3.85 -0.50 0.59 4.83 -0.71 -0.55 -4.99 117.98 112.80 1ttf s PHE 48 Ca 0.14 1.03 -0.01 0.00 -1.04 0.00 0.00 56.93 57.05 1ttf s PHE 48 Cb -0.05 0.40 0.04 0.00 -1.21 0.00 0.00 43.02 42.20 1ttf s PHE 48 CO 0.08 -0.36 0.84 0.95 -1.34 0.00 0.00 175.22 175.38 1ttf s THR 49 N -0.56 2.58 -0.28 -4.49 -4.23 -1.26 -1.81 115.64 105.59 1ttf s THR 49 Ca -0.02 -0.55 -0.22 0.00 -1.18 0.00 0.00 61.69 59.72 1ttf s THR 49 Cb -0.02 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.89 1ttf s THR 49 CO 0.01 -0.01 0.76 0.54 -0.54 0.00 0.00 174.62 175.38 1ttf s VAL 50 N -2.89 0.00 -0.71 2.29 0.11 -0.86 -4.95 120.40 113.39 1ttf s VAL 50 Ca 0.58 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1ttf s VAL 50 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1ttf s VAL 50 CO 0.40 0.00 0.05 -0.81 -3.33 0.00 0.00 175.10 171.42 1ttf n PRO 51 N 3.21 0.08 -0.59 1.54 -0.04 -1.26 0.74 135.00 138.67 1ttf n PRO 51 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ttf n PRO 51 Cb 0.56 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.60 0.00 0.15 0.55 0.00 -1.26 -3.95 105.19 101.28 1ttf n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ttf n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ttf h SER 53 N 0.00 0.00 -3.10 1.61 0.02 -1.90 0.17 113.55 110.35 1ttf h SER 53 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1ttf h SER 53 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1ttf h SER 53 CO 0.00 0.55 -0.25 -0.54 -1.14 0.00 0.00 176.83 175.45 1ttf s LYS 54 N -3.69 3.61 -0.01 3.45 1.02 -1.26 -4.37 119.74 118.48 1ttf s LYS 54 Ca -0.01 -0.11 0.18 0.00 0.02 0.00 0.00 55.97 56.05 1ttf s LYS 54 Cb 0.13 -2.76 -0.22 0.00 -0.52 0.00 0.00 37.83 34.45 1ttf s LYS 54 CO 0.75 0.35 0.68 0.43 -0.92 0.00 0.00 175.35 176.63 1ttf n SER 55 N -0.51 0.82 -4.36 2.83 7.64 -1.26 -4.93 113.62 113.85 1ttf n SER 55 Ca -0.03 -0.68 -0.20 0.00 1.01 0.00 0.00 58.87 58.97 1ttf n SER 55 Cb 0.53 1.23 -0.10 0.00 -1.01 0.00 0.00 64.21 64.86 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 -2.88 0.89 -0.23 0.44 -4.23 -1.26 -2.52 115.64 105.85 1ttf s THR 56 Ca 0.03 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1ttf s THR 56 Cb 0.13 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.35 1ttf s THR 56 CO 0.76 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 175.41 1ttf s ALA 57 N -3.45 -1.51 -0.19 3.99 0.00 -1.08 -5.01 121.76 114.51 1ttf s ALA 57 Ca 0.36 1.97 -0.07 0.00 0.00 0.00 0.00 51.96 54.21 1ttf s ALA 57 Cb 0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1ttf s ALA 57 CO 0.15 -0.32 0.06 0.99 0.00 0.00 0.00 175.76 176.64 1ttf s THR 58 N 1.29 4.71 -0.01 0.00 2.01 -1.26 -2.40 115.64 119.97 1ttf s THR 58 Ca -0.08 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1ttf s THR 58 Cb -0.06 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1ttf s THR 58 CO -0.13 0.45 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.44 1ttf s ILE 59 N 0.52 1.35 -0.06 1.82 1.01 -0.04 -5.00 121.20 120.81 1ttf s ILE 59 Ca 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1ttf s ILE 59 Cb -0.13 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1ttf s ILE 59 CO 0.01 0.38 -0.12 -0.55 0.00 0.00 0.00 174.94 174.66 1ttf s SER 60 N -0.38 1.73 0.00 3.58 0.15 -1.26 -0.32 113.70 117.20 1ttf s SER 60 Ca 0.06 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1ttf s SER 60 Cb -0.07 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1ttf s SER 60 CO -0.01 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1ttf n GLY 61 N 3.63 -0.37 3.99 9.45 0.00 -1.25 -5.03 105.19 115.61 1ttf n GLY 61 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1ttf n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ttf s LEU 62 N 0.00 2.96 0.00 0.99 1.02 -1.26 -4.99 118.68 117.39 1ttf s LEU 62 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.79 1ttf s LEU 62 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1ttf s LEU 62 CO 0.00 -1.93 0.00 1.17 0.02 0.00 0.00 176.35 175.61 1ttf n LYS 63 N -2.89 0.00 -0.39 1.70 4.81 -1.26 -4.66 118.16 115.47 1ttf n LYS 63 Ca 0.15 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.53 1ttf n LYS 63 Cb 0.61 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.70 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 -1.00 -0.29 -3.32 1.64 -0.05 -1.26 -5.05 135.00 125.67 1ttf n PRO 64 Ca 0.00 -0.42 -0.24 0.00 -0.05 0.00 0.00 63.50 62.79 1ttf n PRO 64 Cb 0.00 -0.28 -0.09 0.00 -0.05 0.00 0.00 33.50 33.08 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 -3.59 0.78 0.32 0.55 0.00 -1.26 -5.03 107.32 99.10 1ttf s GLY 65 Ca 0.16 -2.06 0.04 0.00 0.00 0.00 0.00 44.72 42.86 1ttf s GLY 65 CO 0.11 2.35 0.14 1.55 0.00 0.00 0.00 173.10 177.24 1ttf n VAL 66 N 3.06 0.00 -2.04 1.40 3.14 -0.04 -4.91 118.33 118.94 1ttf n VAL 66 Ca 0.26 -1.95 -0.42 0.00 -2.96 0.00 0.00 64.34 59.27 1ttf n VAL 66 Cb 0.48 0.74 -0.03 0.00 -1.06 0.00 0.00 33.84 33.97 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 -3.02 6.69 -0.07 6.55 1.01 -1.26 -2.29 116.67 124.28 1ttf s ASP 67 Ca 0.19 2.36 0.03 0.00 0.71 0.00 0.00 52.55 55.84 1ttf s ASP 67 Cb 0.01 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1ttf s ASP 67 CO 0.14 -0.82 -0.17 -0.31 0.21 0.00 0.00 175.17 174.21 1ttf s TYR 68 N 2.47 1.90 -0.22 4.23 2.02 -0.09 -3.85 117.35 123.80 1ttf s TYR 68 Ca 0.70 -0.71 -0.07 0.00 -0.37 0.00 0.00 57.07 56.62 1ttf s TYR 68 Cb -0.37 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1ttf s TYR 68 CO 0.30 -0.31 0.06 0.99 -1.57 0.00 0.00 175.55 175.02 1ttf s THR 69 N 0.43 4.39 0.33 -0.71 2.01 -1.01 -1.40 115.64 119.69 1ttf s THR 69 Ca -0.14 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 61.79 1ttf s THR 69 Cb -0.16 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1ttf s THR 69 CO 0.05 0.39 -0.00 0.27 -0.69 0.00 0.00 174.62 174.64 1ttf s ILE 70 N 1.14 2.68 -0.11 1.82 -5.25 -1.02 -2.75 121.20 117.72 1ttf s ILE 70 Ca 0.04 -1.99 -0.17 0.00 -0.99 0.00 0.00 60.65 57.54 1ttf s ILE 70 Cb -0.14 -2.77 0.04 0.00 2.95 0.00 0.00 42.46 42.54 1ttf s ILE 70 CO 0.03 -0.23 0.42 -0.89 -1.79 0.00 0.00 174.94 172.49 1ttf s THR 71 N -2.50 0.02 -0.01 8.37 2.01 -0.91 -2.22 115.64 120.40 1ttf s THR 71 Ca 0.34 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.24 1ttf s THR 71 Cb -0.01 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1ttf s THR 71 CO 0.19 -0.07 -0.09 0.68 -0.69 0.00 0.00 174.62 174.64 1ttf s VAL 72 N -0.34 0.73 -0.02 3.82 -7.23 -1.02 -2.38 120.40 113.95 1ttf s VAL 72 Ca -0.05 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 1ttf s VAL 72 Cb -0.03 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.26 1ttf s VAL 72 CO 0.03 0.21 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.68 1ttf s TYR 73 N -0.19 3.01 -0.49 2.82 1.51 -1.09 -2.84 117.35 120.08 1ttf s TYR 73 Ca 0.03 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1ttf s TYR 73 Cb -0.04 -1.67 0.13 0.00 -0.11 0.00 0.00 41.96 40.27 1ttf s TYR 73 CO -0.00 0.42 0.23 0.00 -1.11 0.00 0.00 175.55 175.08 1ttf s ALA 74 N -0.99 3.23 -0.47 3.71 0.00 -1.26 -2.64 121.76 123.35 1ttf s ALA 74 Ca 0.17 -3.16 -0.19 0.00 0.00 0.00 0.00 51.96 48.78 1ttf s ALA 74 Cb -0.11 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 20.92 1ttf s ALA 74 CO 0.07 -1.97 0.56 0.08 0.00 0.00 0.00 175.76 174.50 1ttf s VAL 75 N -0.11 4.95 0.00 0.00 1.01 -1.01 -4.74 120.40 120.50 1ttf s VAL 75 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1ttf s VAL 75 Cb -0.25 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1ttf s VAL 75 CO -0.01 -0.64 0.00 0.41 0.00 0.00 0.00 175.10 174.86 1ttf n THR 76 N 5.58 0.00 -1.84 3.92 -1.04 -1.26 -2.80 114.28 116.85 1ttf n THR 76 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1ttf n THR 76 Cb 0.46 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 2.05 -3.51 3.69 3.41 0.00 -1.26 -4.75 105.19 104.82 1ttf n GLY 77 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1ttf n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttf s ARG 78 N -1.35 3.44 4.40 1.61 1.81 -1.25 -4.87 118.95 122.74 1ttf s ARG 78 Ca 0.00 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 1ttf s ARG 78 Cb 0.00 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.49 1ttf s ARG 78 CO 0.00 0.55 0.00 0.41 -0.68 0.00 0.00 175.30 175.58 1ttf n GLY 79 N 2.66 1.11 0.00 -3.53 0.00 -1.26 -3.82 105.19 100.35 1ttf n GLY 79 Ca -0.18 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 8.31 0.00 0.03 1.61 5.68 -1.26 -4.98 116.55 125.94 1ttf n ASP 80 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.08 1ttf n ASP 80 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1ttf n ASP 80 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ttf h SER 81 N 0.00 0.43 0.00 -1.12 0.02 -2.00 -3.34 113.55 107.54 1ttf h SER 81 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1ttf h SER 81 Cb 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1ttf h SER 81 CO 0.00 1.53 0.00 -2.65 -1.14 0.00 0.00 176.83 174.57 1ttf n PRO 82 N -4.00 0.40 -0.09 3.45 -0.02 -1.25 -4.30 135.00 129.19 1ttf n PRO 82 Ca -0.20 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.20 1ttf n PRO 82 Cb 0.88 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 33.04 1ttf n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ttf h ALA 83 N 2.09 -0.19 -1.61 3.55 0.00 -1.78 -3.34 119.26 117.98 1ttf h ALA 83 Ca 0.00 0.09 -0.66 0.00 0.00 0.00 0.00 54.91 54.34 1ttf h ALA 83 Cb 0.40 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ttf h ALA 83 CO 0.00 -0.72 1.21 0.45 0.00 0.00 0.00 179.25 180.19 1ttf n SER 84 N -5.41 2.78 -0.95 0.00 2.88 -1.26 -4.17 113.62 107.50 1ttf n SER 84 Ca 0.00 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1ttf n SER 84 Cb 0.33 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1ttf n SER 84 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ttf n SER 85 N 8.01 0.00 -3.73 -3.46 7.64 -1.26 -5.01 113.62 115.80 1ttf n SER 85 Ca 0.31 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1ttf n SER 85 Cb 0.26 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1ttf n SER 85 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1ttf s LYS 86 N 2.61 1.54 1.12 1.43 -2.85 -1.26 -5.12 119.74 117.21 1ttf s LYS 86 Ca 0.00 -2.35 -0.12 0.00 -1.00 0.00 0.00 55.97 52.50 1ttf s LYS 86 Cb 0.00 -2.53 0.26 0.00 -2.06 0.00 0.00 37.83 33.50 1ttf s LYS 86 CO 0.00 -1.21 1.05 -2.14 0.10 0.00 0.00 175.35 173.15 1ttf s PRO 87 N -0.11 -0.60 -0.05 1.78 0.02 -1.26 -4.87 135.00 129.91 1ttf s PRO 87 Ca 0.21 0.99 -0.05 0.00 0.02 0.00 0.00 61.00 62.18 1ttf s PRO 87 Cb -0.17 -1.58 0.01 0.00 0.02 0.00 0.00 34.50 32.79 1ttf s PRO 87 CO -0.06 -3.55 0.14 -1.50 -0.33 0.00 0.00 177.00 171.70 1ttf s ILE 88 N -2.48 -0.00 0.12 2.83 2.07 -1.13 -5.06 121.20 117.54 1ttf s ILE 88 Ca 0.68 0.01 0.09 0.00 -1.41 0.00 0.00 60.65 60.01 1ttf s ILE 88 Cb -0.25 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1ttf s ILE 88 CO 0.63 0.00 -0.21 -0.94 -1.91 0.00 0.00 174.94 172.52 1ttf s SER 89 N 0.12 2.63 0.11 4.50 1.04 -1.26 -2.45 113.70 118.40 1ttf s SER 89 Ca -0.00 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 55.65 1ttf s SER 89 Cb -0.01 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1ttf s SER 89 CO -0.00 0.05 0.13 -0.63 0.98 0.00 0.00 173.24 173.77 1ttf s ILE 90 N -1.32 0.13 0.03 -1.02 1.01 -0.94 -5.03 121.20 114.06 1ttf s ILE 90 Ca 0.09 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.16 1ttf s ILE 90 Cb -0.09 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1ttf s ILE 90 CO 0.05 -0.57 0.12 0.21 0.00 0.00 0.00 174.94 174.75 1ttf s ASN 91 N -2.96 5.89 -0.20 3.58 2.47 -1.26 -2.42 114.94 120.05 1ttf s ASN 91 Ca 0.14 0.16 -0.15 0.00 0.42 0.00 0.00 52.86 53.44 1ttf s ASN 91 Cb 0.06 -1.72 0.06 0.00 -1.45 0.00 0.00 41.25 38.19 1ttf s ASN 91 CO -0.04 0.22 0.50 -0.47 -3.72 0.00 0.00 177.10 173.60 1ttf s TYR 92 N -1.33 -0.64 -0.50 0.43 6.14 -0.49 -4.98 117.35 115.97 1ttf s TYR 92 Ca 0.28 1.45 -0.22 0.00 0.64 0.00 0.00 57.07 59.22 1ttf s TYR 92 Cb -0.12 0.28 0.04 0.00 0.42 0.00 0.00 41.96 42.57 1ttf s TYR 92 CO 0.20 -0.33 0.76 -0.98 0.64 0.00 0.00 175.55 175.84 1ttf s ARG 93 N 0.81 3.26 0.00 4.97 1.70 -1.26 -0.92 118.95 127.51 1ttf s ARG 93 Ca -0.04 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 1ttf s ARG 93 Cb -0.05 -4.03 0.00 0.00 -0.57 0.00 0.00 34.95 30.29 1ttf s ARG 93 CO -0.06 -1.26 0.47 0.25 -1.08 0.00 0.00 175.30 173.62