#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 1.79 -0.68 6.55 7.64 -1.26 -4.85 113.62 122.82 1ttf n SER 2 Ca 0.00 0.62 -0.00 0.00 1.01 0.00 0.00 58.87 60.50 1ttf n SER 2 Cb 0.00 -0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 62.33 1ttf n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ttf n ASP 3 N -4.58 -0.01 -4.74 6.43 9.92 -1.26 -5.11 116.55 117.20 1ttf n ASP 3 Ca -0.07 -1.61 -0.42 0.00 -0.53 0.00 0.00 54.79 52.16 1ttf n ASP 3 Cb 0.27 -0.07 -0.02 0.00 -0.64 0.00 0.00 41.12 40.66 1ttf n ASP 3 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1ttf n VAL 4 N 0.06 0.67 -0.66 2.53 0.31 -1.26 -4.83 118.33 115.15 1ttf n VAL 4 Ca -0.03 -0.17 -0.29 0.00 -0.01 0.00 0.00 64.34 63.84 1ttf n VAL 4 Cb 0.67 -1.99 0.21 0.00 -0.91 0.00 0.00 33.84 31.83 1ttf n VAL 4 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ttf s PRO 5 N 0.08 -0.05 -0.25 5.55 0.04 -1.26 -4.94 135.00 134.16 1ttf s PRO 5 Ca 0.68 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 1ttf s PRO 5 Cb -0.49 -1.64 0.15 0.00 0.04 0.00 0.00 34.50 32.56 1ttf s PRO 5 CO 0.43 -3.21 1.17 -0.98 0.04 0.00 0.00 177.00 174.45 1ttf s ARG 6 N -4.57 0.35 -0.95 4.56 1.70 -1.26 -4.97 118.95 113.82 1ttf s ARG 6 Ca 0.67 0.26 -0.24 0.00 -0.47 0.00 0.00 55.73 55.95 1ttf s ARG 6 Cb -0.24 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.28 1ttf s ARG 6 CO 0.62 -0.07 1.86 -0.51 -1.08 0.00 0.00 175.30 176.11 1ttf s ASP 7 N -0.37 5.40 0.00 -2.89 1.11 -1.26 -4.12 116.67 114.54 1ttf s ASP 7 Ca 0.04 -0.91 0.00 0.00 0.18 0.00 0.00 52.55 51.86 1ttf s ASP 7 Cb -0.03 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1ttf s ASP 7 CO -0.07 -2.53 0.52 0.18 1.18 0.00 0.00 175.17 174.46 1ttf n LEU 8 N 13.02 0.00 0.00 1.23 4.32 -1.25 -4.95 117.00 129.37 1ttf n LEU 8 Ca 0.39 0.52 0.01 0.00 -0.02 0.00 0.00 56.01 56.92 1ttf n LEU 8 Cb 0.48 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 42.26 1ttf n LEU 8 CO 0.62 -0.02 0.71 -1.84 -1.22 0.00 0.00 177.39 175.63 1ttf n GLU 9 N -1.02 0.18 -3.54 3.23 0.28 -1.13 -5.07 120.64 113.56 1ttf n GLU 9 Ca 0.00 -0.61 -0.34 0.00 -0.16 0.00 0.00 57.16 56.06 1ttf n GLU 9 Cb 0.00 0.95 -0.05 0.00 1.43 0.00 0.00 31.44 33.77 1ttf n GLU 9 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ttf s VAL 10 N -2.09 5.05 -0.10 3.84 1.01 -1.26 -2.56 120.40 124.28 1ttf s VAL 10 Ca 0.20 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 1ttf s VAL 10 Cb -0.01 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1ttf s VAL 10 CO 0.00 0.17 -0.16 0.52 0.00 0.00 0.00 175.10 175.63 1ttf n VAL 11 N 0.54 0.95 -4.04 2.92 0.31 -0.66 -4.95 118.33 113.40 1ttf n VAL 11 Ca -0.05 0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1ttf n VAL 11 Cb 0.52 -2.07 -0.05 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.87 0.19 0.32 3.52 0.00 -1.25 -5.04 121.76 116.63 1ttf s ALA 12 Ca -0.13 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1ttf s ALA 12 Cb 0.02 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.23 1ttf s ALA 12 CO 0.20 -0.81 0.15 0.00 0.00 0.00 0.00 175.76 175.31 1ttf s ALA 13 N -3.74 2.10 0.11 0.00 0.00 -1.26 -1.10 121.76 117.86 1ttf s ALA 13 Ca 0.27 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 1ttf s ALA 13 Cb 0.00 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.22 1ttf s ALA 13 CO 0.12 -0.48 0.26 0.95 0.00 0.00 0.00 175.76 176.61 1ttf s THR 14 N -3.53 0.11 -0.89 0.00 -4.23 0.11 -4.95 115.64 102.26 1ttf s THR 14 Ca 0.34 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1ttf s THR 14 Cb 0.05 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1ttf s THR 14 CO 0.17 -0.52 0.64 -2.65 -0.54 0.00 0.00 174.62 171.72 1ttf n PRO 15 N -0.12 0.00 -2.65 3.99 -0.02 -1.26 -2.36 135.00 132.58 1ttf n PRO 15 Ca -0.14 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.49 1ttf n PRO 15 Cb 0.63 -1.61 0.08 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.14 0.00 0.00 3.45 5.66 -1.26 -4.94 114.28 116.05 1ttf n THR 16 Ca 0.00 -1.19 0.00 0.00 -3.05 0.00 0.00 64.05 59.81 1ttf n THR 16 Cb 0.11 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 1ttf n THR 16 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ttf n SER 17 N -0.64 0.00 -4.09 1.09 3.41 -0.99 -4.61 113.62 107.79 1ttf n SER 17 Ca -0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.25 1ttf n SER 17 Cb 0.79 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.58 1ttf n SER 17 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ttf s LEU 18 N 0.00 1.84 -0.39 1.04 2.96 0.43 0.08 118.68 124.64 1ttf s LEU 18 Ca 0.00 -0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.43 1ttf s LEU 18 Cb 0.00 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1ttf s LEU 18 CO 0.00 0.11 0.33 -0.22 -1.32 0.00 0.00 176.35 175.25 1ttf s LEU 19 N 0.21 4.85 0.02 -0.68 1.98 -0.26 -1.95 118.68 122.85 1ttf s LEU 19 Ca -0.07 -0.66 0.04 0.00 -2.89 0.00 0.00 54.13 50.55 1ttf s LEU 19 Cb -0.12 -2.23 -0.03 0.00 0.66 0.00 0.00 46.19 44.46 1ttf s LEU 19 CO 0.03 -0.43 -0.07 0.27 -1.89 0.00 0.00 176.35 174.26 1ttf s ILE 20 N 1.84 3.65 -0.05 6.68 -5.25 -0.96 -1.66 121.20 125.45 1ttf s ILE 20 Ca 0.08 -0.84 -0.02 0.00 -0.99 0.00 0.00 60.65 58.88 1ttf s ILE 20 Cb -0.18 -2.61 0.04 0.00 2.95 0.00 0.00 42.46 42.66 1ttf s ILE 20 CO 0.11 0.34 0.10 -0.44 -1.79 0.00 0.00 174.94 173.27 1ttf s SER 21 N -1.57 0.34 0.00 4.36 0.01 -1.06 -2.33 113.70 113.45 1ttf s SER 21 Ca 0.18 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1ttf s SER 21 Cb -0.11 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1ttf s SER 21 CO 0.09 -0.18 0.00 -2.67 0.41 0.00 0.00 173.24 170.89 1ttf n TRP 22 N 4.64 0.00 -4.30 2.43 2.14 -1.02 -2.85 117.44 118.47 1ttf n TRP 22 Ca -0.18 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.22 1ttf n TRP 22 Cb 0.50 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.91 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 0.95 1.17 -0.14 -0.67 2.15 -1.26 -4.80 116.67 114.06 1ttf s ASP 23 Ca 0.00 -1.47 -0.04 0.00 0.43 0.00 0.00 52.55 51.47 1ttf s ASP 23 Cb 0.00 0.30 0.06 0.00 -0.30 0.00 0.00 42.92 42.98 1ttf s ASP 23 CO 0.00 -0.82 0.09 0.00 -0.17 0.00 0.00 175.17 174.27 1ttf s ALA 24 N -3.75 0.33 1.27 3.66 0.00 -1.26 -4.88 121.76 117.13 1ttf s ALA 24 Ca 0.37 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 1ttf s ALA 24 Cb 0.06 -0.96 0.24 0.00 0.00 0.00 0.00 23.12 22.47 1ttf s ALA 24 CO 0.15 -1.02 0.64 -0.35 0.00 0.00 0.00 175.76 175.19 1ttf n PRO 25 N 5.29 -3.44 0.07 0.00 -0.04 -1.26 -4.94 135.00 130.67 1ttf n PRO 25 Ca -0.06 -1.06 -0.04 0.00 -0.04 0.00 0.00 63.50 62.30 1ttf n PRO 25 Cb 0.49 -1.22 -0.08 0.00 -0.04 0.00 0.00 33.50 32.65 1ttf n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ttf h ALA 26 N -2.90 0.50 -2.43 0.55 0.00 -2.01 -3.46 119.26 109.50 1ttf h ALA 26 Ca -0.27 -0.84 -0.53 0.00 0.00 0.00 0.00 54.91 53.27 1ttf h ALA 26 Cb 0.88 -0.04 0.19 0.00 0.00 0.00 0.00 17.79 18.83 1ttf h ALA 26 CO 0.17 1.09 0.25 1.55 0.00 0.00 0.00 179.25 182.32 1ttf n VAL 27 N -3.25 0.99 -2.69 0.00 3.14 -1.26 -4.90 118.33 110.36 1ttf n VAL 27 Ca -0.02 -0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 1ttf n VAL 27 Cb 0.89 -1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 32.56 1ttf n VAL 27 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ttf s THR 28 N -2.38 4.51 -0.23 1.55 -4.23 -1.26 -5.01 115.64 108.58 1ttf s THR 28 Ca 0.70 1.54 -0.10 0.00 -1.18 0.00 0.00 61.69 62.65 1ttf s THR 28 Cb -0.26 -4.40 -0.05 0.00 1.34 0.00 0.00 72.50 69.13 1ttf s THR 28 CO 0.55 -0.53 0.14 -0.69 -0.54 0.00 0.00 174.62 173.54 1ttf s VAL 29 N 3.66 5.16 0.05 2.29 1.01 -1.26 -4.85 120.40 126.46 1ttf s VAL 29 Ca 0.43 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 1ttf s VAL 29 Cb -0.12 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.75 1ttf s VAL 29 CO 0.18 0.36 1.36 -0.09 0.00 0.00 0.00 175.10 176.90 1ttf h ARG 30 N 7.53 -0.68 -4.12 2.72 2.43 -1.75 -3.41 114.38 117.10 1ttf h ARG 30 Ca -0.38 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 1ttf h ARG 30 Cb 1.17 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 30.74 1ttf h ARG 30 CO 0.65 -0.45 -0.48 0.71 -1.51 0.00 0.00 179.97 178.88 1ttf s TYR 31 N -4.83 0.56 0.05 2.20 2.02 -1.07 -4.36 117.35 111.92 1ttf s TYR 31 Ca -0.12 -0.95 0.06 0.00 -0.37 0.00 0.00 57.07 55.69 1ttf s TYR 31 Cb 0.02 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.31 1ttf s TYR 31 CO 0.38 -0.60 -0.18 0.71 -1.57 0.00 0.00 175.55 174.30 1ttf s TYR 32 N -3.98 1.56 -0.01 2.71 1.51 -0.91 -2.54 117.35 115.69 1ttf s TYR 32 Ca 0.18 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1ttf s TYR 32 Cb 0.05 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 1ttf s TYR 32 CO -0.01 0.08 -0.03 1.03 -1.11 0.00 0.00 175.55 175.51 1ttf s ARG 33 N -1.28 0.33 -0.17 -0.62 0.52 -0.93 -0.93 118.95 115.87 1ttf s ARG 33 Ca 0.05 -0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1ttf s ARG 33 Cb -0.09 -0.38 0.02 0.00 0.52 0.00 0.00 34.95 35.03 1ttf s ARG 33 CO 0.02 0.01 -0.19 0.42 0.02 0.00 0.00 175.30 175.58 1ttf s ILE 34 N 0.30 1.94 -0.06 1.52 1.09 -1.05 -0.09 121.20 124.84 1ttf s ILE 34 Ca -0.03 -0.87 0.03 0.00 -1.10 0.00 0.00 60.65 58.68 1ttf s ILE 34 Cb -0.06 -1.77 -0.02 0.00 -1.06 0.00 0.00 42.46 39.55 1ttf s ILE 34 CO -0.01 0.52 -0.14 0.42 -0.10 0.00 0.00 174.94 175.63 1ttf s THR 35 N 1.34 3.05 0.07 2.92 -4.23 -0.29 -2.34 115.64 116.15 1ttf s THR 35 Ca 0.05 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1ttf s THR 35 Cb -0.13 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1ttf s THR 35 CO -0.12 0.58 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.74 1ttf s TYR 36 N -0.52 0.77 0.06 3.99 1.13 -0.60 -1.05 117.35 121.13 1ttf s TYR 36 Ca 0.07 -0.67 -0.28 0.00 -1.41 0.00 0.00 57.07 54.78 1ttf s TYR 36 Cb -0.12 -0.45 0.09 0.00 -1.10 0.00 0.00 41.96 40.38 1ttf s TYR 36 CO 0.01 -0.11 1.12 0.20 -2.51 0.00 0.00 175.55 174.27 1ttf s GLY 37 N -2.20 -0.33 0.00 5.49 0.00 -1.00 -0.82 107.32 108.46 1ttf s GLY 37 Ca -0.01 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1ttf s GLY 37 CO -0.02 0.08 0.00 -2.21 0.00 0.00 0.00 173.10 170.95 1ttf n GLU 38 N -0.47 0.59 -2.57 2.90 2.13 -1.26 -1.16 120.64 120.80 1ttf n GLU 38 Ca -0.07 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.37 1ttf n GLU 38 Cb 0.62 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.28 1ttf n GLU 38 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1ttf s THR 39 N -0.29 3.75 -1.32 6.31 -1.32 -1.16 -3.89 115.64 117.72 1ttf s THR 39 Ca 0.00 1.47 -0.01 0.00 -1.21 0.00 0.00 61.69 61.94 1ttf s THR 39 Cb 0.00 -3.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 1ttf s THR 39 CO 0.00 0.14 0.03 0.61 -2.21 0.00 0.00 174.62 173.18 1ttf n GLY 40 N 0.63 -0.13 3.26 6.08 0.00 -1.26 -4.86 105.19 108.91 1ttf n GLY 40 Ca 0.03 0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1ttf n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ttf s GLY 41 N -4.18 2.11 0.00 -0.02 0.00 -1.25 -4.88 107.32 99.11 1ttf s GLY 41 Ca 0.02 -2.61 0.00 0.00 0.00 0.00 0.00 44.72 42.13 1ttf s GLY 41 CO 0.86 1.16 0.88 0.70 0.00 0.00 0.00 173.10 176.70 1ttf n ASN 42 N 4.99 0.00 -3.64 1.64 3.02 -1.26 -3.28 115.26 116.72 1ttf n ASN 42 Ca -0.09 0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 54.54 1ttf n ASN 42 Cb 0.41 -0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 1ttf n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ttf s SER 43 N -2.74 3.22 0.67 6.41 1.04 -1.26 -5.11 113.70 115.91 1ttf s SER 43 Ca 0.00 -3.02 -0.17 0.00 0.48 0.00 0.00 55.95 53.24 1ttf s SER 43 Cb 0.00 -0.96 -0.02 0.00 0.10 0.00 0.00 66.02 65.14 1ttf s SER 43 CO 0.00 -0.20 0.92 -2.65 0.98 0.00 0.00 173.24 172.30 1ttf n PRO 44 N 2.99 0.66 0.00 4.02 -0.02 -1.20 -4.89 135.00 136.56 1ttf n PRO 44 Ca 0.18 0.27 -0.15 0.00 -2.02 0.00 0.00 63.50 61.79 1ttf n PRO 44 Cb 0.39 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ttf h VAL 45 N 0.07 0.00 -1.19 -1.45 2.07 -1.32 -3.48 116.25 110.94 1ttf h VAL 45 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ttf h VAL 45 Cb 1.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1ttf h VAL 45 CO 0.48 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.74 1ttf n GLN 46 N -5.30 0.00 -3.49 1.57 7.27 -1.10 -5.03 117.38 111.31 1ttf n GLN 46 Ca -0.06 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.91 1ttf n GLN 46 Cb 0.36 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.99 1ttf n GLN 46 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1ttf s GLU 47 N -1.94 1.02 -0.17 3.69 -1.05 -1.26 -1.55 118.70 117.44 1ttf s GLU 47 Ca 0.00 -0.39 -0.21 0.00 -0.15 0.00 0.00 54.97 54.23 1ttf s GLU 47 Cb 0.00 0.46 0.05 0.00 -0.44 0.00 0.00 34.13 34.21 1ttf s GLU 47 CO 0.00 -0.45 0.55 -0.59 0.95 0.00 0.00 175.26 175.72 1ttf s PHE 48 N -3.37 -0.57 0.02 4.83 -0.12 -0.99 -4.98 117.98 112.79 1ttf s PHE 48 Ca 0.04 1.31 -0.15 0.00 -0.05 0.00 0.00 56.93 58.09 1ttf s PHE 48 Cb -0.01 0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 1ttf s PHE 48 CO -0.10 -0.35 0.43 -0.08 -0.05 0.00 0.00 175.22 175.07 1ttf s THR 49 N -0.09 5.00 0.09 -4.49 -1.32 -1.26 -2.54 115.64 111.03 1ttf s THR 49 Ca -0.03 0.83 0.03 0.00 -1.21 0.00 0.00 61.69 61.31 1ttf s THR 49 Cb -0.03 -3.72 -0.04 0.00 -1.51 0.00 0.00 72.50 67.20 1ttf s THR 49 CO 0.02 0.53 -0.09 0.68 -2.21 0.00 0.00 174.62 173.55 1ttf s VAL 50 N -1.14 0.88 -0.03 5.08 -7.23 -0.10 -4.98 120.40 112.89 1ttf s VAL 50 Ca 0.26 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1ttf s VAL 50 Cb -0.17 -1.36 -0.07 0.00 0.56 0.00 0.00 36.38 35.34 1ttf s VAL 50 CO 0.15 -0.59 1.94 -2.16 -0.31 0.00 0.00 175.10 174.13 1ttf s PRO 51 N -2.87 3.97 0.00 4.82 0.04 -1.26 -2.13 135.00 137.57 1ttf s PRO 51 Ca 0.05 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1ttf s PRO 51 Cb -0.02 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1ttf s PRO 51 CO -0.01 -1.13 0.56 0.41 0.04 0.00 0.00 177.00 176.87 1ttf n GLY 52 N 4.68 -0.15 0.29 0.56 0.00 -1.26 -0.90 105.19 108.40 1ttf n GLY 52 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 1ttf n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ttf h SER 53 N 0.00 0.71 -3.93 1.61 0.87 -1.88 -3.43 113.55 107.50 1ttf h SER 53 Ca 0.00 -0.14 -0.49 0.00 -1.23 0.00 0.00 61.79 59.93 1ttf h SER 53 Cb 0.34 -0.19 0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1ttf h SER 53 CO 0.00 0.73 0.24 -0.54 -0.53 0.00 0.00 176.83 176.74 1ttf s LYS 54 N -5.11 3.69 0.00 2.24 1.02 -0.08 -4.99 119.74 116.51 1ttf s LYS 54 Ca -0.09 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1ttf s LYS 54 Cb 0.15 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1ttf s LYS 54 CO 0.79 -0.27 0.18 0.43 -0.92 0.00 0.00 175.35 175.56 1ttf n SER 55 N -2.02 0.36 -4.24 2.83 7.64 -1.26 -4.91 113.62 112.02 1ttf n SER 55 Ca 0.04 -0.68 -0.14 0.00 1.01 0.00 0.00 58.87 59.10 1ttf n SER 55 Cb 0.54 0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 64.25 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 -0.61 0.93 0.18 0.44 -4.23 -1.26 -2.44 115.64 108.65 1ttf s THR 56 Ca 0.00 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 1ttf s THR 56 Cb 0.00 -1.94 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1ttf s THR 56 CO 0.00 -0.65 0.74 0.00 -0.54 0.00 0.00 174.62 174.17 1ttf s ALA 57 N -3.48 -1.51 -0.14 3.99 0.00 -0.99 -5.04 121.76 114.60 1ttf s ALA 57 Ca 0.19 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 1ttf s ALA 57 Cb 0.04 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1ttf s ALA 57 CO 0.01 -0.90 -0.07 0.99 0.00 0.00 0.00 175.76 175.79 1ttf s THR 58 N -3.64 1.10 0.08 0.00 2.01 -1.26 -2.27 115.64 111.65 1ttf s THR 58 Ca 0.07 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.67 1ttf s THR 58 Cb -0.03 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1ttf s THR 58 CO -0.03 0.29 0.01 0.27 -0.69 0.00 0.00 174.62 174.46 1ttf s ILE 59 N 1.66 4.07 0.01 1.82 -4.36 -0.82 -4.94 121.20 118.65 1ttf s ILE 59 Ca 0.03 -0.92 -0.07 0.00 -0.26 0.00 0.00 60.65 59.43 1ttf s ILE 59 Cb -0.14 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1ttf s ILE 59 CO -0.08 0.16 0.14 -0.55 0.24 0.00 0.00 174.94 174.84 1ttf s SER 60 N -2.21 0.05 0.00 4.36 0.15 -1.26 -0.43 113.70 114.36 1ttf s SER 60 Ca 0.25 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1ttf s SER 60 Cb -0.12 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1ttf s SER 60 CO 0.17 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1ttf n GLY 61 N 1.25 -0.55 3.39 9.45 0.00 -1.26 -5.04 105.19 112.43 1ttf n GLY 61 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.98 0.99 -0.00 -1.26 -5.15 117.00 107.60 1ttf n LEU 62 Ca 0.00 -3.15 -0.30 0.00 -0.00 0.00 0.00 56.01 52.56 1ttf n LEU 62 Cb 0.00 1.04 -0.16 0.00 -0.00 0.00 0.00 43.42 44.30 1ttf n LEU 62 CO 0.00 -0.49 -0.47 -0.54 -0.00 0.00 0.00 177.39 175.90 1ttf s LYS 63 N -3.57 2.02 -0.19 1.47 3.01 -1.26 -4.67 119.74 116.55 1ttf s LYS 63 Ca 0.21 -0.59 -0.29 0.00 -1.01 0.00 0.00 55.97 54.30 1ttf s LYS 63 Cb 0.01 -2.10 -0.05 0.00 -1.01 0.00 0.00 37.83 34.68 1ttf s LYS 63 CO 0.15 -0.31 2.00 -2.14 0.51 0.00 0.00 175.35 175.56 1ttf s PRO 64 N 1.51 3.46 0.00 -1.68 0.02 -1.26 -4.30 135.00 132.75 1ttf s PRO 64 Ca 0.03 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1ttf s PRO 64 Cb -0.14 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 30.13 1ttf s PRO 64 CO -0.09 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.26 1ttf n GLY 65 N 5.30 0.00 3.62 0.52 0.00 0.74 -5.01 105.19 110.36 1ttf n GLY 65 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -0.46 1.61 0.11 -0.61 -4.99 120.40 116.06 1ttf s VAL 66 Ca 0.00 -0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 58.43 1ttf s VAL 66 Cb 0.00 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 1ttf s VAL 66 CO 0.00 0.00 1.92 -0.62 -3.33 0.00 0.00 175.10 173.07 1ttf s ASP 67 N -2.73 5.43 0.15 3.54 2.15 -1.26 -2.59 116.67 121.35 1ttf s ASP 67 Ca 0.08 0.92 0.07 0.00 0.43 0.00 0.00 52.55 54.04 1ttf s ASP 67 Cb -0.01 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1ttf s ASP 67 CO -0.04 -2.14 -0.03 -0.31 -0.17 0.00 0.00 175.17 172.48 1ttf s TYR 68 N 8.53 2.83 -0.11 -5.34 2.02 -0.91 -2.97 117.35 121.40 1ttf s TYR 68 Ca 0.78 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 57.39 1ttf s TYR 68 Cb -0.18 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 1ttf s TYR 68 CO 0.28 0.49 -0.22 0.99 -1.57 0.00 0.00 175.55 175.52 1ttf s THR 69 N -1.55 1.95 -0.08 -0.71 2.01 -0.31 -2.08 115.64 114.86 1ttf s THR 69 Ca 0.26 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1ttf s THR 69 Cb -0.10 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1ttf s THR 69 CO 0.17 0.53 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.99 1ttf s ILE 70 N 0.56 3.08 0.03 1.82 1.10 -1.08 -2.39 121.20 124.32 1ttf s ILE 70 Ca -0.14 -0.69 0.03 0.00 -0.51 0.00 0.00 60.65 59.34 1ttf s ILE 70 Cb -0.17 -2.24 -0.02 0.00 0.15 0.00 0.00 42.46 40.19 1ttf s ILE 70 CO 0.04 0.57 -0.10 -0.89 -2.11 0.00 0.00 174.94 172.45 1ttf s THR 71 N -0.34 0.80 -0.01 4.00 2.01 -0.22 -2.20 115.64 119.69 1ttf s THR 71 Ca 0.03 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.24 1ttf s THR 71 Cb -0.13 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1ttf s THR 71 CO 0.02 -0.07 -0.15 0.68 -0.69 0.00 0.00 174.62 174.42 1ttf s VAL 72 N -0.82 1.18 -0.01 3.82 -7.23 -1.00 -1.14 120.40 115.20 1ttf s VAL 72 Ca -0.01 -0.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.55 1ttf s VAL 72 Cb -0.07 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 1ttf s VAL 72 CO 0.01 0.30 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.56 1ttf s TYR 73 N -0.40 2.43 -0.31 2.82 1.51 0.87 -2.77 117.35 121.50 1ttf s TYR 73 Ca 0.05 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1ttf s TYR 73 Cb -0.06 -1.50 0.08 0.00 -0.11 0.00 0.00 41.96 40.37 1ttf s TYR 73 CO -0.00 0.07 -0.00 0.00 -1.11 0.00 0.00 175.55 174.50 1ttf s ALA 74 N -0.71 2.79 -0.15 3.71 0.00 -1.26 -2.20 121.76 123.93 1ttf s ALA 74 Ca 0.11 -2.09 -0.04 0.00 0.00 0.00 0.00 51.96 49.94 1ttf s ALA 74 Cb -0.10 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1ttf s ALA 74 CO 0.01 -1.43 -0.02 0.08 0.00 0.00 0.00 175.76 174.40 1ttf s VAL 75 N 1.08 4.07 0.00 0.00 1.01 -1.05 -3.77 120.40 121.73 1ttf s VAL 75 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1ttf s VAL 75 Cb -0.20 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1ttf s VAL 75 CO -0.05 0.50 0.00 0.35 0.00 0.00 0.00 175.10 175.90 1ttf n THR 76 N 3.40 0.00 -0.66 3.92 -2.24 -1.26 -2.37 114.28 115.07 1ttf n THR 76 Ca -0.17 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1ttf n THR 76 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1ttf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttf n GLY 77 N 2.24 -2.72 0.00 3.38 0.00 -1.26 -4.71 105.19 102.12 1ttf n GLY 77 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.17 0.00 -1.14 1.61 1.74 -1.26 -4.85 116.66 109.59 1ttf n ARG 78 Ca -0.03 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.02 1ttf n ARG 78 Cb 0.31 -0.16 -0.00 0.00 -1.02 0.00 0.00 32.46 31.59 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 2.18 0.08 0.00 -0.13 0.00 -1.26 -5.08 105.19 100.98 1ttf n GLY 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ttf n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ttf n ASP 80 N -0.22 0.00 -4.69 1.61 2.03 -1.26 -5.07 116.55 108.94 1ttf n ASP 80 Ca -0.11 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.78 1ttf n ASP 80 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1ttf n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ttf s SER 81 N 1.00 7.27 -0.42 1.67 0.15 -1.26 -4.94 113.70 117.17 1ttf s SER 81 Ca 0.00 1.58 -0.27 0.00 0.70 0.00 0.00 55.95 57.96 1ttf s SER 81 Cb 0.00 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 1ttf s SER 81 CO 0.00 -0.41 2.33 -2.84 1.20 0.00 0.00 173.24 173.52 1ttf s PRO 82 N 1.76 2.42 -0.24 5.44 0.01 -1.26 -4.79 135.00 138.35 1ttf s PRO 82 Ca 0.50 1.56 -0.14 0.00 0.01 0.00 0.00 61.00 62.92 1ttf s PRO 82 Cb -0.19 -4.51 -0.04 0.00 0.01 0.00 0.00 34.50 29.76 1ttf s PRO 82 CO 0.21 -2.92 0.33 0.00 0.01 0.00 0.00 177.00 174.63 1ttf s ALA 83 N 10.94 3.57 -0.20 -1.55 0.00 -1.26 -5.06 121.76 128.21 1ttf s ALA 83 Ca 0.97 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 1ttf s ALA 83 Cb -0.21 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 1ttf s ALA 83 CO 0.28 -0.41 -0.04 -1.54 0.00 0.00 0.00 175.76 174.06 1ttf s SER 84 N 1.27 4.47 0.00 0.00 1.04 -1.26 -4.34 113.70 114.88 1ttf s SER 84 Ca 0.15 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1ttf s SER 84 Cb -0.15 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.22 1ttf s SER 84 CO 0.08 0.05 0.00 -0.24 0.98 0.00 0.00 173.24 174.11 1ttf n SER 85 N 4.35 0.00 -3.20 7.02 2.88 -1.25 -5.00 113.62 118.42 1ttf n SER 85 Ca -0.18 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.24 1ttf n SER 85 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1ttf n SER 85 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ttf s LYS 86 N 0.00 0.82 0.76 -1.46 2.20 -1.26 -5.09 119.74 115.72 1ttf s LYS 86 Ca 0.00 -1.04 -0.14 0.00 -0.36 0.00 0.00 55.97 54.43 1ttf s LYS 86 Cb 0.00 -0.55 0.06 0.00 -1.51 0.00 0.00 37.83 35.83 1ttf s LYS 86 CO 0.00 -1.26 1.21 -2.14 -0.36 0.00 0.00 175.35 172.80 1ttf s PRO 87 N 1.12 1.92 0.03 4.03 0.02 -1.26 -4.86 135.00 136.00 1ttf s PRO 87 Ca 0.23 1.78 -0.15 0.00 0.02 0.00 0.00 61.00 62.88 1ttf s PRO 87 Cb -0.06 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.67 1ttf s PRO 87 CO -0.07 -2.01 0.33 -1.50 -0.33 0.00 0.00 177.00 173.42 1ttf s ILE 88 N -2.03 0.07 0.15 2.83 2.07 -1.11 -5.04 121.20 118.14 1ttf s ILE 88 Ca 0.74 -0.60 0.02 0.00 -1.41 0.00 0.00 60.65 59.40 1ttf s ILE 88 Cb -0.29 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.36 1ttf s ILE 88 CO 0.48 -0.33 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.72 1ttf s SER 89 N -1.93 1.22 -0.08 4.50 0.01 -1.26 -2.39 113.70 113.76 1ttf s SER 89 Ca -0.06 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 56.01 1ttf s SER 89 Cb -0.01 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.35 1ttf s SER 89 CO -0.02 -0.53 0.21 0.27 0.41 0.00 0.00 173.24 173.58 1ttf s ILE 90 N -3.63 -0.01 -0.21 1.44 -4.36 -0.94 -5.03 121.20 108.47 1ttf s ILE 90 Ca 0.21 0.04 -0.10 0.00 -0.26 0.00 0.00 60.65 60.53 1ttf s ILE 90 Cb 0.06 -0.30 -0.05 0.00 1.25 0.00 0.00 42.46 43.42 1ttf s ILE 90 CO 0.02 0.01 0.13 0.54 0.24 0.00 0.00 174.94 175.89 1ttf s ASN 91 N 0.36 6.18 -0.03 4.36 4.22 -1.26 -2.65 114.94 126.12 1ttf s ASN 91 Ca -0.02 0.20 -0.19 0.00 -2.14 0.00 0.00 52.86 50.71 1ttf s ASN 91 Cb -0.04 -2.09 0.04 0.00 1.28 0.00 0.00 41.25 40.44 1ttf s ASN 91 CO -0.02 0.16 0.41 -0.47 -2.04 0.00 0.00 177.10 175.14 1ttf s TYR 92 N 0.50 -0.31 -0.23 1.54 5.04 -0.88 -5.03 117.35 117.98 1ttf s TYR 92 Ca 0.08 0.52 -0.26 0.00 -2.44 0.00 0.00 57.07 54.97 1ttf s TYR 92 Cb -0.12 0.18 -0.00 0.00 0.35 0.00 0.00 41.96 42.37 1ttf s TYR 92 CO -0.01 -0.44 0.89 -0.98 -1.34 0.00 0.00 175.55 173.68 1ttf s ARG 93 N -1.22 4.22 0.00 4.97 1.70 -1.26 -2.15 118.95 125.21 1ttf s ARG 93 Ca -0.12 1.08 0.00 0.00 -0.47 0.00 0.00 55.73 56.21 1ttf s ARG 93 Cb -0.04 -3.63 0.00 0.00 -0.57 0.00 0.00 34.95 30.71 1ttf s ARG 93 CO 0.05 -0.52 0.49 0.25 -1.08 0.00 0.00 175.30 174.49