#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 5.91 -0.46 4.52 0.01 -1.26 -5.07 113.70 117.35 1ttf s SER 2 Ca 0.00 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.18 1ttf s SER 2 Cb 0.00 -1.47 0.25 0.00 0.21 0.00 0.00 66.02 65.01 1ttf s SER 2 CO 0.00 -0.19 0.79 0.47 0.41 0.00 0.00 173.24 174.71 1ttf n ASP 3 N -1.41 -1.86 -4.74 2.44 8.00 -1.26 -5.13 116.55 112.59 1ttf n ASP 3 Ca -0.05 -3.14 -0.41 0.00 0.71 0.00 0.00 54.79 51.90 1ttf n ASP 3 Cb 0.58 1.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.69 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 0.03 2.62 1.26 2.53 1.01 -1.26 -4.98 120.40 121.60 1ttf s VAL 4 Ca 0.33 0.51 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 1ttf s VAL 4 Cb 0.22 -3.33 0.32 0.00 0.00 0.00 0.00 36.38 33.58 1ttf s VAL 4 CO -0.19 0.08 0.71 -2.65 0.00 0.00 0.00 175.10 173.05 1ttf n PRO 5 N 2.42 -4.02 -3.69 2.72 -0.01 -1.26 -5.06 135.00 126.11 1ttf n PRO 5 Ca 0.07 -1.20 0.00 0.00 -0.01 0.00 0.00 63.50 62.37 1ttf n PRO 5 Cb 0.40 -1.65 -0.00 0.00 -0.01 0.00 0.00 33.50 32.24 1ttf n PRO 5 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 175.50 174.51 1ttf s ARG 6 N -4.59 0.65 -1.17 -0.52 1.70 -1.26 -5.02 118.95 108.73 1ttf s ARG 6 Ca 0.55 -0.36 -0.04 0.00 -0.47 0.00 0.00 55.73 55.41 1ttf s ARG 6 Cb -0.10 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1ttf s ARG 6 CO 0.46 -0.30 0.89 -0.25 -1.08 0.00 0.00 175.30 175.02 1ttf n ASP 7 N -0.55 -3.56 -4.53 -2.89 8.00 -1.26 -2.45 116.55 109.32 1ttf n ASP 7 Ca -0.07 -0.73 -0.41 0.00 0.71 0.00 0.00 54.79 54.29 1ttf n ASP 7 Cb 0.62 -4.76 -0.10 0.00 -0.02 0.00 0.00 41.12 36.86 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 -6.14 4.54 0.13 0.64 1.02 -1.26 -4.14 118.68 113.47 1ttf s LEU 8 Ca 0.18 -0.39 -0.24 0.00 0.02 0.00 0.00 54.13 53.70 1ttf s LEU 8 Cb -0.03 -2.23 0.08 0.00 0.02 0.00 0.00 46.19 44.03 1ttf s LEU 8 CO 0.76 -0.30 1.09 -1.83 0.02 0.00 0.00 176.35 176.09 1ttf s GLU 9 N 1.85 1.06 -0.16 1.70 4.04 -1.12 -5.06 118.70 121.01 1ttf s GLU 9 Ca 0.08 -0.66 -0.14 0.00 0.04 0.00 0.00 54.97 54.29 1ttf s GLU 9 Cb -0.17 0.31 -0.05 0.00 0.02 0.00 0.00 34.13 34.24 1ttf s GLU 9 CO 0.11 -0.49 0.31 0.08 -1.84 0.00 0.00 175.26 173.43 1ttf s VAL 10 N -2.33 5.29 -1.55 1.83 1.01 -1.26 -2.48 120.40 120.91 1ttf s VAL 10 Ca 0.21 0.60 0.20 0.00 0.00 0.00 0.00 61.98 62.99 1ttf s VAL 10 Cb -0.01 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1ttf s VAL 10 CO 0.03 0.38 0.95 1.33 0.00 0.00 0.00 175.10 177.79 1ttf n VAL 11 N 3.61 0.00 -3.55 2.92 0.24 -0.96 -5.00 118.33 115.59 1ttf n VAL 11 Ca -0.11 -0.20 -0.07 0.00 -2.04 0.00 0.00 64.34 61.91 1ttf n VAL 11 Cb 0.52 1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 34.03 1ttf n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ttf s ALA 12 N -2.47 -1.86 -0.23 2.33 0.00 -1.21 -5.03 121.76 113.29 1ttf s ALA 12 Ca 0.14 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 1ttf s ALA 12 Cb 0.16 0.34 0.07 0.00 0.00 0.00 0.00 23.12 23.70 1ttf s ALA 12 CO 0.61 -0.72 0.55 0.00 0.00 0.00 0.00 175.76 176.21 1ttf s ALA 13 N -3.00 -1.48 0.15 0.00 0.00 -1.26 -2.49 121.76 113.68 1ttf s ALA 13 Ca 0.07 1.98 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1ttf s ALA 13 Cb -0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1ttf s ALA 13 CO -0.07 -0.37 0.04 -0.08 0.00 0.00 0.00 175.76 175.28 1ttf s THR 14 N 1.63 0.33 -0.52 0.00 -1.32 0.77 -5.03 115.64 111.51 1ttf s THR 14 Ca -0.09 -1.94 -0.30 0.00 -1.21 0.00 0.00 61.69 58.15 1ttf s THR 14 Cb -0.07 -2.09 -0.11 0.00 -1.51 0.00 0.00 72.50 68.72 1ttf s THR 14 CO -0.16 -0.46 2.38 -2.65 -2.21 0.00 0.00 174.62 171.52 1ttf n PRO 15 N -0.16 0.94 -2.30 7.08 -0.02 -1.26 -0.73 135.00 138.56 1ttf n PRO 15 Ca -0.06 0.15 -0.02 0.00 -2.02 0.00 0.00 63.50 61.55 1ttf n PRO 15 Cb 0.64 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1ttf n PRO 15 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ttf n THR 16 N 7.62 -0.20 -3.56 3.45 -1.04 -1.26 -5.04 114.28 114.25 1ttf n THR 16 Ca 0.43 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.43 1ttf n THR 16 Cb 0.33 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.58 1ttf n THR 16 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ttf s SER 17 N -2.96 -0.54 -0.10 8.00 1.04 0.09 -3.90 113.70 115.34 1ttf s SER 17 Ca 0.03 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.29 1ttf s SER 17 Cb -0.01 1.38 0.01 0.00 0.10 0.00 0.00 66.02 67.50 1ttf s SER 17 CO 0.03 -0.12 -0.15 -0.22 0.98 0.00 0.00 173.24 173.76 1ttf s LEU 18 N 1.74 1.73 -0.33 2.42 2.96 -0.00 -0.16 118.68 127.04 1ttf s LEU 18 Ca -0.07 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 1ttf s LEU 18 Cb -0.05 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.59 1ttf s LEU 18 CO -0.16 0.03 0.19 -0.22 -1.32 0.00 0.00 176.35 174.87 1ttf s LEU 19 N 0.85 4.36 0.25 -0.68 2.96 -1.04 -1.71 118.68 123.67 1ttf s LEU 19 Ca -0.10 -0.64 0.08 0.00 -0.22 0.00 0.00 54.13 53.26 1ttf s LEU 19 Cb -0.15 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1ttf s LEU 19 CO 0.01 -0.26 0.09 0.27 -1.32 0.00 0.00 176.35 175.14 1ttf s ILE 20 N 1.62 3.94 -0.13 6.68 -4.36 -0.96 -2.26 121.20 125.73 1ttf s ILE 20 Ca 0.04 -1.62 -0.27 0.00 -0.26 0.00 0.00 60.65 58.54 1ttf s ILE 20 Cb -0.18 -3.10 0.06 0.00 1.25 0.00 0.00 42.46 40.49 1ttf s ILE 20 CO 0.07 -0.33 0.65 -0.94 0.24 0.00 0.00 174.94 174.63 1ttf s SER 21 N -3.66 -0.65 0.00 4.36 1.04 -1.04 -2.59 113.70 111.17 1ttf s SER 21 Ca 0.32 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1ttf s SER 21 Cb -0.07 0.87 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1ttf s SER 21 CO 0.22 -0.45 0.00 -2.67 0.98 0.00 0.00 173.24 171.33 1ttf n TRP 22 N 1.67 0.00 -3.62 5.02 2.14 -0.91 -2.79 117.44 118.96 1ttf n TRP 22 Ca -0.17 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.16 1ttf n TRP 22 Cb 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.06 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 4.84 -0.30 -0.67 2.15 -1.03 -4.80 116.67 117.86 1ttf s ASP 23 Ca 0.00 -1.04 -0.14 0.00 0.43 0.00 0.00 52.55 51.81 1ttf s ASP 23 Cb 0.00 0.14 0.18 0.00 -0.30 0.00 0.00 42.92 42.94 1ttf s ASP 23 CO 0.00 -1.04 1.10 0.00 -0.17 0.00 0.00 175.17 175.05 1ttf s ALA 24 N -2.67 -3.78 1.07 3.66 0.00 -1.26 -4.79 121.76 113.99 1ttf s ALA 24 Ca 0.44 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.73 1ttf s ALA 24 Cb -0.03 -2.65 0.06 0.00 0.00 0.00 0.00 23.12 20.50 1ttf s ALA 24 CO 0.27 -1.69 0.15 -2.30 0.00 0.00 0.00 175.76 172.19 1ttf n PRO 25 N 5.35 -2.30 0.00 0.00 -0.02 -1.26 -4.93 135.00 131.85 1ttf n PRO 25 Ca -0.02 -0.25 0.11 0.00 -2.02 0.00 0.00 63.50 61.33 1ttf n PRO 25 Cb 0.55 -0.31 0.12 0.00 -0.02 0.00 0.00 33.50 33.85 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 -3.44 3.76 -0.59 3.55 0.00 -1.26 -4.96 120.51 117.57 1ttf n ALA 26 Ca -0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1ttf n ALA 26 Cb 0.10 -0.95 0.20 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 -2.75 2.00 -0.42 0.00 0.11 -1.26 -4.86 120.40 113.21 1ttf s VAL 27 Ca 0.15 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 1ttf s VAL 27 Cb 0.18 -2.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.04 1ttf s VAL 27 CO 0.67 -0.00 1.43 -0.89 -3.33 0.00 0.00 175.10 172.98 1ttf s THR 28 N -2.55 3.87 -0.07 5.04 2.01 -1.26 -4.99 115.64 117.69 1ttf s THR 28 Ca 0.68 0.87 0.01 0.00 0.31 0.00 0.00 61.69 63.56 1ttf s THR 28 Cb -0.24 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 1ttf s THR 28 CO 0.61 -0.78 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.99 1ttf s VAL 29 N 5.58 3.64 0.00 3.82 1.01 -1.26 -4.55 120.40 128.65 1ttf s VAL 29 Ca 0.61 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ttf s VAL 29 Cb -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1ttf s VAL 29 CO 0.32 0.59 0.36 0.54 0.00 0.00 0.00 175.10 176.91 1ttf n ARG 30 N 2.35 0.00 -3.89 2.72 1.74 -1.18 -4.85 116.66 113.56 1ttf n ARG 30 Ca -0.18 0.22 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 1ttf n ARG 30 Cb 0.53 -0.97 -0.04 0.00 -1.02 0.00 0.00 32.46 30.95 1ttf n ARG 30 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1ttf s TYR 31 N -1.16 0.12 0.19 -1.55 -0.85 -1.02 -4.36 117.35 108.71 1ttf s TYR 31 Ca 0.00 -0.49 0.09 0.00 -0.52 0.00 0.00 57.07 56.15 1ttf s TYR 31 Cb 0.00 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 1ttf s TYR 31 CO 0.00 -0.97 -0.19 0.71 -1.52 0.00 0.00 175.55 173.58 1ttf s TYR 32 N -3.95 1.94 -0.17 -3.49 1.51 0.28 -2.09 117.35 111.38 1ttf s TYR 32 Ca 0.16 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1ttf s TYR 32 Cb -0.01 -0.94 0.06 0.00 -0.11 0.00 0.00 41.96 40.96 1ttf s TYR 32 CO 0.04 0.40 0.10 0.50 -1.11 0.00 0.00 175.55 175.48 1ttf s ARG 33 N -2.94 0.07 -0.23 -0.62 3.52 -0.94 -1.26 118.95 116.56 1ttf s ARG 33 Ca 0.19 -0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.58 1ttf s ARG 33 Cb -0.05 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1ttf s ARG 33 CO 0.08 -0.67 0.38 0.42 -0.81 0.00 0.00 175.30 174.70 1ttf s ILE 34 N 2.15 5.20 -0.06 4.11 1.09 -0.81 -1.51 121.20 131.37 1ttf s ILE 34 Ca 0.02 0.63 0.03 0.00 -1.10 0.00 0.00 60.65 60.24 1ttf s ILE 34 Cb -0.16 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1ttf s ILE 34 CO -0.09 0.22 -0.17 0.42 -0.10 0.00 0.00 174.94 175.22 1ttf s THR 35 N 1.55 1.47 0.19 2.92 -4.23 -0.60 -2.07 115.64 114.87 1ttf s THR 35 Ca 0.17 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 59.92 1ttf s THR 35 Cb -0.15 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 1ttf s THR 35 CO 0.08 0.43 0.23 -0.72 -0.54 0.00 0.00 174.62 174.10 1ttf s TYR 36 N 0.34 0.70 0.00 3.99 -0.85 -1.06 -1.31 117.35 119.16 1ttf s TYR 36 Ca -0.11 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 1ttf s TYR 36 Cb -0.15 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 41.96 1ttf s TYR 36 CO 0.04 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 173.77 1ttf n GLY 37 N -0.24 1.70 3.54 5.49 0.00 -1.02 -1.92 105.19 112.74 1ttf n GLY 37 Ca -0.03 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.41 -0.53 -1.02 1.61 1.02 -1.26 -2.31 120.64 117.74 1ttf n GLU 38 Ca 0.00 -0.10 -0.30 0.00 -0.02 0.00 0.00 57.16 56.74 1ttf n GLU 38 Cb 0.00 -2.13 0.14 0.00 -0.02 0.00 0.00 31.44 29.43 1ttf n GLU 38 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ttf s THR 39 N -2.52 2.65 0.00 2.62 2.01 -1.26 -4.16 115.64 114.99 1ttf s THR 39 Ca 0.62 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1ttf s THR 39 Cb -0.22 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1ttf s THR 39 CO 0.63 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1ttf n GLY 40 N -0.61 2.95 0.73 4.40 0.00 -1.26 -4.75 105.19 106.65 1ttf n GLY 40 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.89 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.81 1ttf n GLY 41 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ttf n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ttf n ASN 42 N 0.54 0.33 -2.70 1.61 5.15 -1.26 -4.93 115.26 114.00 1ttf n ASN 42 Ca 0.00 -0.66 -0.05 0.00 -0.60 0.00 0.00 54.58 53.27 1ttf n ASN 42 Cb 0.26 0.34 0.05 0.00 -0.53 0.00 0.00 39.78 39.90 1ttf n ASN 42 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ttf n SER 43 N -0.34 -2.03 -4.76 1.20 3.41 -1.26 -5.14 113.62 104.70 1ttf n SER 43 Ca 0.00 -2.07 -0.39 0.00 -0.26 0.00 0.00 58.87 56.15 1ttf n SER 43 Cb 0.04 1.13 0.03 0.00 -0.26 0.00 0.00 64.21 65.15 1ttf n SER 43 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ttf n PRO 44 N 2.05 2.02 0.00 4.33 -0.02 -1.26 -4.55 135.00 137.58 1ttf n PRO 44 Ca 0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ttf n PRO 44 Cb 0.65 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1ttf n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ttf n VAL 45 N -0.57 0.00 -3.59 -1.45 0.31 -0.81 -4.96 118.33 107.26 1ttf n VAL 45 Ca 0.07 0.94 -0.05 0.00 -0.01 0.00 0.00 64.34 65.30 1ttf n VAL 45 Cb 0.43 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 1ttf n VAL 45 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ttf s GLN 46 N -1.57 0.61 -0.02 5.55 2.00 -1.11 -5.03 119.66 120.09 1ttf s GLN 46 Ca 0.00 -0.27 -0.11 0.00 -2.00 0.00 0.00 55.36 52.98 1ttf s GLN 46 Cb 0.00 0.25 0.02 0.00 0.80 0.00 0.00 33.01 34.08 1ttf s GLN 46 CO 0.00 -0.27 0.25 -1.83 -0.50 0.00 0.00 175.29 172.94 1ttf s GLU 47 N -2.77 0.55 0.24 1.67 -1.05 -1.26 -2.55 118.70 113.53 1ttf s GLU 47 Ca 0.09 -0.16 -0.08 0.00 -0.15 0.00 0.00 54.97 54.67 1ttf s GLU 47 Cb -0.00 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.91 1ttf s GLU 47 CO -0.05 -0.14 0.37 -0.59 0.95 0.00 0.00 175.26 175.81 1ttf s PHE 48 N -1.08 0.68 0.49 4.83 -0.12 -0.88 -4.99 117.98 116.91 1ttf s PHE 48 Ca -0.12 -0.99 0.08 0.00 -0.05 0.00 0.00 56.93 55.86 1ttf s PHE 48 Cb -0.05 -0.07 0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1ttf s PHE 48 CO 0.03 -0.90 0.52 0.95 -0.05 0.00 0.00 175.22 175.76 1ttf s THR 49 N -3.95 2.33 -0.28 -4.49 -4.23 -1.26 -1.91 115.64 101.84 1ttf s THR 49 Ca 0.28 -1.24 -0.23 0.00 -1.18 0.00 0.00 61.69 59.32 1ttf s THR 49 Cb 0.02 -2.57 0.11 0.00 1.34 0.00 0.00 72.50 71.39 1ttf s THR 49 CO 0.11 0.00 0.93 0.54 -0.54 0.00 0.00 174.62 175.66 1ttf s VAL 50 N -2.58 0.00 -1.26 2.29 0.11 -0.39 -4.95 120.40 113.62 1ttf s VAL 50 Ca 0.49 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1ttf s VAL 50 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1ttf s VAL 50 CO 0.30 0.00 0.00 -2.65 -3.33 0.00 0.00 175.10 169.42 1ttf n PRO 51 N 2.72 0.00 -0.67 1.54 -0.02 -1.26 -0.56 135.00 136.75 1ttf n PRO 51 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1ttf n PRO 51 Cb 0.56 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 1ttf n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttf n GLY 52 N -0.06 0.00 0.22 -1.23 0.00 -1.26 -4.60 105.19 98.25 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 0.87 -3.38 1.61 0.02 -1.90 -3.42 113.55 107.35 1ttf h SER 53 Ca 0.00 -0.59 -0.67 0.00 -0.84 0.00 0.00 61.79 59.69 1ttf h SER 53 Cb 0.65 -0.25 -0.35 0.00 0.14 0.00 0.00 62.40 62.59 1ttf h SER 53 CO 0.00 1.31 -0.82 -0.54 -1.14 0.00 0.00 176.83 175.64 1ttf s LYS 54 N -3.91 2.76 -1.33 3.45 1.02 -1.26 -5.01 119.74 115.46 1ttf s LYS 54 Ca -0.11 -1.00 -0.09 0.00 0.02 0.00 0.00 55.97 54.79 1ttf s LYS 54 Cb 0.08 -2.75 -0.12 0.00 -0.52 0.00 0.00 37.83 34.52 1ttf s LYS 54 CO 0.88 -0.35 3.07 0.43 -0.92 0.00 0.00 175.35 178.46 1ttf n SER 55 N 4.58 8.10 -3.66 2.83 7.64 -1.26 -4.80 113.62 127.06 1ttf n SER 55 Ca -0.18 -2.55 -0.15 0.00 1.01 0.00 0.00 58.87 57.00 1ttf n SER 55 Cb 0.47 -1.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.07 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 1.98 0.03 -0.10 0.44 -4.23 -1.26 -2.13 115.64 110.36 1ttf s THR 56 Ca 0.69 -0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 1ttf s THR 56 Cb 0.20 -0.78 0.10 0.00 1.34 0.00 0.00 72.50 73.37 1ttf s THR 56 CO -0.05 -0.12 0.86 0.00 -0.54 0.00 0.00 174.62 174.77 1ttf s ALA 57 N -1.01 -1.86 0.05 3.99 0.00 -1.07 -5.03 121.76 116.83 1ttf s ALA 57 Ca -0.10 1.44 0.08 0.00 0.00 0.00 0.00 51.96 53.37 1ttf s ALA 57 Cb -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1ttf s ALA 57 CO 0.06 -0.36 -0.21 -0.08 0.00 0.00 0.00 175.76 175.17 1ttf s THR 58 N -1.29 2.61 -0.02 0.00 -1.32 -1.26 -2.26 115.64 112.10 1ttf s THR 58 Ca -0.05 -1.29 0.01 0.00 -1.21 0.00 0.00 61.69 59.15 1ttf s THR 58 Cb -0.00 -2.09 0.01 0.00 -1.51 0.00 0.00 72.50 68.91 1ttf s THR 58 CO 0.04 0.31 -0.04 -0.51 -2.21 0.00 0.00 174.62 172.22 1ttf s ILE 59 N -0.92 0.41 0.24 5.08 2.07 -0.69 -5.01 121.20 122.38 1ttf s ILE 59 Ca 0.14 -0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.30 1ttf s ILE 59 Cb -0.10 -0.42 -0.05 0.00 0.13 0.00 0.00 42.46 42.01 1ttf s ILE 59 CO 0.05 0.17 -0.01 -0.44 -1.91 0.00 0.00 174.94 172.80 1ttf s SER 60 N 0.52 1.92 0.00 4.50 0.01 -1.26 -0.82 113.70 118.57 1ttf s SER 60 Ca -0.06 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1ttf s SER 60 Cb -0.10 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1ttf s SER 60 CO -0.00 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1ttf n GLY 61 N -0.44 0.49 0.00 3.44 0.00 -1.25 -5.00 105.19 102.43 1ttf n GLY 61 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.75 0.00 -3.73 0.99 -0.00 -1.26 -5.13 117.00 107.11 1ttf n LEU 62 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1ttf n LEU 62 Cb 0.39 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.66 1ttf n LEU 62 CO 0.00 0.00 -0.32 -0.75 -0.00 0.00 0.00 177.39 176.32 1ttf s LYS 63 N 1.48 0.77 0.49 1.47 2.20 -1.26 -5.02 119.74 119.87 1ttf s LYS 63 Ca 0.00 -1.17 -0.23 0.00 -0.36 0.00 0.00 55.97 54.21 1ttf s LYS 63 Cb 0.00 -2.03 -0.06 0.00 -1.51 0.00 0.00 37.83 34.22 1ttf s LYS 63 CO 0.00 -1.00 1.33 -2.14 -0.36 0.00 0.00 175.35 173.18 1ttf s PRO 64 N 1.50 3.47 0.00 4.03 0.02 -1.26 -3.89 135.00 138.87 1ttf s PRO 64 Ca 0.11 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1ttf s PRO 64 Cb -0.18 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1ttf s PRO 64 CO -0.23 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 1ttf n GLY 65 N 0.64 0.45 3.47 0.52 0.00 -0.59 -5.09 105.19 104.59 1ttf n GLY 65 Ca 0.08 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.71 0.01 0.67 1.61 0.11 -0.99 -5.03 120.40 114.07 1ttf s VAL 66 Ca 0.00 -0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 1ttf s VAL 66 Cb 0.00 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1ttf s VAL 66 CO 0.00 -0.03 1.26 -0.62 -3.33 0.00 0.00 175.10 172.38 1ttf s ASP 67 N -1.66 4.48 -0.14 3.54 -1.08 -1.26 -2.61 116.67 117.94 1ttf s ASP 67 Ca -0.08 2.53 -0.05 0.00 -0.52 0.00 0.00 52.55 54.43 1ttf s ASP 67 Cb -0.01 -2.61 0.07 0.00 -1.46 0.00 0.00 42.92 38.91 1ttf s ASP 67 CO 0.03 -2.08 0.30 -0.31 0.52 0.00 0.00 175.17 173.63 1ttf s TYR 68 N -1.59 -0.50 -0.24 -5.34 2.02 -0.56 -4.46 117.35 106.68 1ttf s TYR 68 Ca 0.80 1.09 -0.07 0.00 -0.37 0.00 0.00 57.07 58.51 1ttf s TYR 68 Cb -0.34 0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.24 1ttf s TYR 68 CO 0.41 -0.37 0.07 0.99 -1.57 0.00 0.00 175.55 175.08 1ttf s THR 69 N 2.33 4.38 0.24 -0.71 2.01 -0.98 -1.56 115.64 121.35 1ttf s THR 69 Ca -0.01 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1ttf s THR 69 Cb -0.12 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1ttf s THR 69 CO -0.10 0.35 0.06 0.27 -0.69 0.00 0.00 174.62 174.51 1ttf s ILE 70 N 1.47 3.84 -0.20 1.82 -5.25 -1.07 -2.43 121.20 119.38 1ttf s ILE 70 Ca 0.06 -1.62 -0.08 0.00 -0.99 0.00 0.00 60.65 58.02 1ttf s ILE 70 Cb -0.15 -3.02 0.09 0.00 2.95 0.00 0.00 42.46 42.32 1ttf s ILE 70 CO 0.04 -0.29 0.45 -0.89 -1.79 0.00 0.00 174.94 172.46 1ttf s THR 71 N -2.10 -0.48 -0.04 8.37 2.01 -0.43 -2.28 115.64 120.68 1ttf s THR 71 Ca 0.31 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1ttf s THR 71 Cb -0.08 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1ttf s THR 71 CO 0.21 0.05 -0.03 0.68 -0.69 0.00 0.00 174.62 174.85 1ttf s VAL 72 N 2.27 4.02 -0.36 3.82 -7.23 -0.92 -1.56 120.40 120.44 1ttf s VAL 72 Ca -0.05 -0.48 -0.04 0.00 -1.81 0.00 0.00 61.98 59.61 1ttf s VAL 72 Cb -0.11 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 34.19 1ttf s VAL 72 CO -0.14 0.51 0.12 -0.31 -0.31 0.00 0.00 175.10 174.97 1ttf s TYR 73 N -0.94 3.39 -0.83 2.82 1.51 -0.57 -2.83 117.35 119.91 1ttf s TYR 73 Ca 0.15 -1.97 -0.21 0.00 -1.01 0.00 0.00 57.07 54.03 1ttf s TYR 73 Cb -0.11 -2.65 0.09 0.00 -0.11 0.00 0.00 41.96 39.17 1ttf s TYR 73 CO 0.05 -0.86 1.13 0.00 -1.11 0.00 0.00 175.55 174.76 1ttf s ALA 74 N 1.25 3.12 -0.40 3.71 0.00 -1.26 -2.21 121.76 125.97 1ttf s ALA 74 Ca 0.01 -2.23 -0.22 0.00 0.00 0.00 0.00 51.96 49.53 1ttf s ALA 74 Cb -0.21 -4.07 0.01 0.00 0.00 0.00 0.00 23.12 18.85 1ttf s ALA 74 CO -0.01 -3.03 0.71 0.08 0.00 0.00 0.00 175.76 173.51 1ttf s VAL 75 N 3.81 4.78 0.14 0.00 1.01 -0.89 -4.59 120.40 124.66 1ttf s VAL 75 Ca 0.31 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.80 1ttf s VAL 75 Cb -0.09 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1ttf s VAL 75 CO -0.00 -0.51 0.04 0.28 0.00 0.00 0.00 175.10 174.91 1ttf s THR 76 N 2.98 0.24 0.00 3.92 -1.32 -1.26 -2.45 115.64 117.75 1ttf s THR 76 Ca 0.27 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1ttf s THR 76 Cb -0.13 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.81 1ttf s THR 76 CO 0.18 -0.48 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 1ttf n GLY 77 N -0.12 0.91 0.46 6.08 0.00 -1.26 -4.24 105.19 107.02 1ttf n GLY 77 Ca -0.06 0.53 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 1ttf n GLY 77 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ttf h ARG 78 N 0.00 -1.10 0.00 1.61 3.08 -1.85 -3.46 114.38 112.67 1ttf h ARG 78 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ttf h ARG 78 Cb 0.00 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ttf h ARG 78 CO 0.00 -0.73 0.00 0.41 -1.07 0.00 0.00 179.97 178.58 1ttf n GLY 79 N -1.58 0.00 0.00 0.04 0.00 -1.26 -5.12 105.19 97.26 1ttf n GLY 79 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.05 1.61 8.00 -1.26 -5.05 116.55 119.80 1ttf n ASP 80 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1ttf n ASP 80 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1ttf n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ttf n SER 81 N 0.00 2.03 -4.59 -2.24 7.64 -1.26 -4.84 113.62 110.37 1ttf n SER 81 Ca 0.00 0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.68 1ttf n SER 81 Cb 0.00 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 1ttf n SER 81 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ttf s PRO 82 N -2.50 3.04 0.00 1.43 0.02 -1.26 -4.71 135.00 131.01 1ttf s PRO 82 Ca -0.27 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.23 1ttf s PRO 82 Cb 0.08 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1ttf s PRO 82 CO 0.68 -2.21 0.00 0.00 -0.33 0.00 0.00 177.00 175.14 1ttf n ALA 83 N 11.66 2.19 -0.69 -1.55 0.00 -1.26 -4.09 120.51 126.76 1ttf n ALA 83 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 1ttf n ALA 83 Cb 0.48 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.10 1ttf n ALA 83 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ttf n SER 84 N -1.28 -1.76 -4.82 0.00 7.64 -1.26 -4.41 113.62 107.73 1ttf n SER 84 Ca 0.00 0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.69 1ttf n SER 84 Cb 0.00 -1.18 -0.05 0.00 -1.01 0.00 0.00 64.21 61.97 1ttf n SER 84 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ttf s SER 85 N -2.12 4.31 -0.48 6.43 0.01 -1.26 -4.82 113.70 115.77 1ttf s SER 85 Ca 0.60 -1.55 0.06 0.00 1.31 0.00 0.00 55.95 56.36 1ttf s SER 85 Cb -0.19 0.59 0.21 0.00 0.21 0.00 0.00 66.02 66.85 1ttf s SER 85 CO 0.65 -0.99 0.50 1.17 0.41 0.00 0.00 173.24 174.99 1ttf n LYS 86 N -1.47 0.99 -0.61 12.44 4.81 -1.26 -5.08 118.16 127.98 1ttf n LYS 86 Ca -0.15 -3.61 -0.31 0.00 -0.87 0.00 0.00 58.31 53.38 1ttf n LYS 86 Cb 0.66 -1.66 0.20 0.00 0.02 0.00 0.00 35.03 34.25 1ttf n LYS 86 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ttf n PRO 87 N 1.83 -1.80 -3.74 1.64 -0.02 -1.26 -4.87 135.00 126.78 1ttf n PRO 87 Ca 0.25 -0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 61.12 1ttf n PRO 87 Cb 0.47 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.31 0.09 0.09 4.25 2.07 -1.13 -5.04 121.20 119.23 1ttf s ILE 88 Ca 0.60 -0.76 -0.06 0.00 -1.41 0.00 0.00 60.65 59.02 1ttf s ILE 88 Cb -0.17 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.30 1ttf s ILE 88 CO 0.66 -0.42 0.13 -0.94 -1.91 0.00 0.00 174.94 172.46 1ttf s SER 89 N -2.47 0.22 -0.08 4.50 1.04 -1.26 -2.16 113.70 113.50 1ttf s SER 89 Ca -0.00 -0.79 -0.16 0.00 0.48 0.00 0.00 55.95 55.48 1ttf s SER 89 Cb 0.01 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.48 1ttf s SER 89 CO -0.08 -0.71 0.38 0.27 0.98 0.00 0.00 173.24 174.08 1ttf s ILE 90 N -3.89 0.03 0.12 -1.02 -4.36 -0.97 -5.02 121.20 106.09 1ttf s ILE 90 Ca 0.07 -0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.10 1ttf s ILE 90 Cb 0.06 -0.62 -0.07 0.00 1.25 0.00 0.00 42.46 43.09 1ttf s ILE 90 CO -0.09 -0.13 0.50 0.21 0.24 0.00 0.00 174.94 175.67 1ttf s ASN 91 N -0.64 6.78 -0.28 4.36 3.04 -1.26 -2.60 114.94 124.34 1ttf s ASN 91 Ca -0.07 0.99 -0.21 0.00 0.04 0.00 0.00 52.86 53.61 1ttf s ASN 91 Cb -0.04 -2.26 0.08 0.00 -1.54 0.00 0.00 41.25 37.50 1ttf s ASN 91 CO 0.03 0.13 0.75 -0.47 -3.04 0.00 0.00 177.10 174.51 1ttf s TYR 92 N -1.43 -0.85 -0.04 0.43 5.04 -0.60 -5.01 117.35 114.89 1ttf s TYR 92 Ca 0.36 1.89 -0.21 0.00 -2.44 0.00 0.00 57.07 56.67 1ttf s TYR 92 Cb -0.15 0.42 -0.05 0.00 0.35 0.00 0.00 41.96 42.53 1ttf s TYR 92 CO 0.19 -0.42 0.60 -0.98 -1.34 0.00 0.00 175.55 173.60 1ttf s ARG 93 N 0.89 4.36 0.00 4.97 1.70 -1.26 -1.50 118.95 128.11 1ttf s ARG 93 Ca -0.04 0.72 0.00 0.00 -0.47 0.00 0.00 55.73 55.94 1ttf s ARG 93 Cb -0.05 -3.39 0.00 0.00 -0.57 0.00 0.00 34.95 30.94 1ttf s ARG 93 CO -0.08 0.24 0.49 0.25 -1.08 0.00 0.00 175.30 175.12