#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtf s LYS 2 N 0.00 1.31 0.07 0.54 -0.14 -1.26 -4.34 119.74 115.92 1wtf s LYS 2 Ca 0.00 -0.99 0.05 0.00 -1.36 0.00 0.00 55.97 53.67 1wtf s LYS 2 Cb 0.00 -1.45 -0.03 0.00 -1.68 0.00 0.00 37.83 34.67 1wtf s LYS 2 CO 0.00 0.36 -0.14 0.71 -0.76 0.00 0.00 175.35 175.52 1wtf s TYR 3 N -0.89 1.18 0.04 3.18 1.51 -0.20 -0.41 117.35 121.76 1wtf s TYR 3 Ca 0.07 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1wtf s TYR 3 Cb -0.09 -0.67 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 1wtf s TYR 3 CO 0.02 0.05 -0.00 -0.08 -1.11 0.00 0.00 175.55 174.43 1wtf s THR 4 N -1.29 0.18 0.06 -0.71 -1.32 -1.26 -1.61 115.64 109.68 1wtf s THR 4 Ca -0.02 -1.45 -0.26 0.00 -1.21 0.00 0.00 61.69 58.74 1wtf s THR 4 Cb -0.10 -1.10 0.08 0.00 -1.51 0.00 0.00 72.50 69.87 1wtf s THR 4 CO 0.02 -0.80 0.72 -0.51 -2.21 0.00 0.00 174.62 171.84 1wtf s ILE 5 N -3.10 0.00 -0.14 5.08 2.07 -1.05 -3.90 121.20 120.15 1wtf s ILE 5 Ca -0.01 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1wtf s ILE 5 Cb 0.02 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.58 1wtf s ILE 5 CO -0.07 0.00 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.21 1wtf s VAL 6 N -3.04 3.72 -0.66 4.00 1.01 -1.26 -1.25 120.40 122.93 1wtf s VAL 6 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 1wtf s VAL 6 Cb -0.01 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.81 1wtf s VAL 6 CO -0.08 0.52 1.17 -0.62 0.00 0.00 0.00 175.10 176.09 1wtf s ASP 7 N 0.15 6.27 0.59 3.32 -1.08 0.08 -4.86 116.67 121.14 1wtf s ASP 7 Ca -0.03 -0.35 0.37 0.00 -0.52 0.00 0.00 52.55 52.03 1wtf s ASP 7 Cb -0.14 -2.52 1.74 0.00 -1.46 0.00 0.00 42.92 40.53 1wtf s ASP 7 CO 0.03 -1.61 2.12 0.11 0.52 0.00 0.00 175.17 176.35 1wtf h LYS 8 N 9.74 0.00 -0.09 4.34 1.57 -1.89 -1.47 116.57 128.76 1wtf h LYS 8 Ca -0.27 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 1wtf h LYS 8 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1wtf h LYS 8 CO 1.22 0.00 -0.61 0.93 -0.57 0.00 0.00 179.45 180.42 1wtf h GLU 9 N 0.00 0.32 0.00 3.15 5.08 -1.99 -3.27 114.58 117.88 1wtf h GLU 9 Ca -0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1wtf h GLU 9 Cb 0.34 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wtf h GLU 9 CO 0.00 0.83 -1.16 0.25 -1.00 0.00 0.00 179.01 177.93 1wtf n THR 10 N -3.89 0.08 -2.18 1.13 -2.24 -1.07 -4.92 114.28 101.18 1wtf n THR 10 Ca -0.03 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1wtf n THR 10 Cb 0.62 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 1wtf n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wtf n ILE 12 N 4.25 2.36 -3.66 0.00 -5.35 -1.26 -4.95 119.36 110.74 1wtf n ILE 12 Ca 0.12 -3.81 -0.25 0.00 -0.27 0.00 0.00 62.75 58.54 1wtf n ILE 12 Cb 0.43 -0.74 0.07 0.00 -1.74 0.00 0.00 39.64 37.65 1wtf n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wtf n ALA 13 N -0.83 -1.33 -0.25 -1.28 0.00 -1.26 -4.90 120.51 110.66 1wtf n ALA 13 Ca 0.34 0.34 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 1wtf n ALA 13 Cb 0.87 -5.19 0.06 0.00 0.00 0.00 0.00 19.45 15.19 1wtf n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wtf n GLY 15 N -0.67 0.75 0.23 0.00 0.00 -1.26 -4.97 105.19 99.27 1wtf n GLY 15 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1wtf n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtf h ALA 16 N 0.00 0.72 -0.73 4.61 0.00 -1.91 -3.27 119.26 118.67 1wtf h ALA 16 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1wtf h ALA 16 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1wtf h ALA 16 CO 0.00 0.67 0.26 0.00 0.00 0.00 0.00 179.25 180.18 1wtf h GLY 18 N 1.11 0.00 0.91 0.00 0.00 -1.77 0.49 103.07 103.81 1wtf h GLY 18 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 1wtf h GLY 18 CO -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 176.09 1wtf h ALA 19 N 1.65 0.26 0.03 3.60 0.00 -1.51 -2.86 119.26 120.44 1wtf h ALA 19 Ca -0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 1wtf h ALA 19 Cb 1.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1wtf h ALA 19 CO 0.05 0.39 -1.05 0.00 0.00 0.00 0.00 179.25 178.64 1wtf h ALA 20 N 0.55 0.21 -1.80 0.00 0.00 -1.05 -3.41 119.26 113.75 1wtf h ALA 20 Ca -0.01 -0.73 -0.51 0.00 0.00 0.00 0.00 54.91 53.65 1wtf h ALA 20 Cb 1.05 0.03 -0.37 0.00 0.00 0.00 0.00 17.79 18.50 1wtf h ALA 20 CO 0.09 0.77 -1.06 0.00 0.00 0.00 0.00 179.25 179.05 1wtf n ALA 21 N -2.59 1.99 0.23 0.00 0.00 0.15 -4.78 120.51 115.50 1wtf n ALA 21 Ca -0.09 -3.20 0.16 0.00 0.00 0.00 0.00 53.44 50.31 1wtf n ALA 21 Cb 0.89 -0.88 0.85 0.00 0.00 0.00 0.00 19.45 20.31 1wtf n ALA 21 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wtf h PRO 22 N 3.82 0.00 -0.00 0.00 0.13 -1.69 -0.04 132.00 134.22 1wtf h PRO 22 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1wtf h PRO 22 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wtf h PRO 22 CO 0.45 0.00 -0.01 -0.25 -0.23 0.00 0.00 178.00 177.96 1wtf n ASP 23 N -3.85 0.21 0.00 1.44 8.00 -1.26 -4.21 116.55 116.88 1wtf n ASP 23 Ca 0.00 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1wtf n ASP 23 Cb 0.25 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1wtf n ASP 23 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1wtf n ILE 24 N -0.93 0.00 -5.09 0.53 5.41 -0.13 -4.76 119.36 114.39 1wtf n ILE 24 Ca 0.21 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.64 1wtf n ILE 24 Cb 0.18 -0.68 -0.15 0.00 -0.71 0.00 0.00 39.64 38.28 1wtf n ILE 24 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1wtf s TYR 25 N -1.95 2.56 0.22 1.39 1.51 -0.60 -0.72 117.35 119.77 1wtf s TYR 25 Ca 0.00 -0.58 0.05 0.00 -1.01 0.00 0.00 57.07 55.52 1wtf s TYR 25 Cb 0.00 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1wtf s TYR 25 CO 0.00 -0.13 0.17 -3.47 -1.11 0.00 0.00 175.55 171.02 1wtf n ASP 26 N 2.91 -0.25 -4.34 2.29 4.64 -0.69 -4.41 116.55 116.70 1wtf n ASP 26 Ca -0.17 -2.44 -0.31 0.00 -1.38 0.00 0.00 54.79 50.49 1wtf n ASP 26 Cb 0.52 1.04 -0.15 0.00 -1.04 0.00 0.00 41.12 41.49 1wtf n ASP 26 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1wtf s TYR 27 N -2.85 2.36 0.51 -0.67 1.51 -1.26 -1.20 117.35 115.76 1wtf s TYR 27 Ca 0.25 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.82 1wtf s TYR 27 Cb 0.01 -1.47 0.12 0.00 -0.11 0.00 0.00 41.96 40.50 1wtf s TYR 27 CO 0.17 0.04 0.69 -0.40 -1.11 0.00 0.00 175.55 174.94 1wtf n ASP 28 N 2.19 0.06 0.33 2.29 5.68 0.58 -4.84 116.55 122.83 1wtf n ASP 28 Ca -0.16 -1.25 0.22 0.00 -0.50 0.00 0.00 54.79 53.09 1wtf n ASP 28 Cb 0.51 -0.52 1.13 0.00 -1.14 0.00 0.00 41.12 41.10 1wtf n ASP 28 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1wtf h GLU 29 N 0.00 0.00 -0.66 0.11 9.09 -2.00 -1.38 114.58 119.73 1wtf h GLU 29 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.19 1wtf h GLU 29 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 1wtf h GLU 29 CO 0.16 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.97 1wtf n ASP 30 N -3.09 3.85 0.00 3.06 8.00 -1.26 -4.92 116.55 122.18 1wtf n ASP 30 Ca -0.02 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1wtf n ASP 30 Cb 0.11 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1wtf n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtf n GLY 31 N 1.64 0.80 3.78 0.44 0.00 -0.52 -5.03 105.19 106.30 1wtf n GLY 31 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1wtf n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wtf s ILE 32 N -3.09 4.77 0.62 -0.61 -1.09 -1.26 -4.42 121.20 116.12 1wtf s ILE 32 Ca 0.00 1.33 -0.16 0.00 -2.23 0.00 0.00 60.65 59.59 1wtf s ILE 32 Cb 0.00 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 1wtf s ILE 32 CO 0.00 0.47 1.08 0.00 -1.23 0.00 0.00 174.94 175.26 1wtf s ALA 33 N -0.60 2.62 0.08 9.38 0.00 -1.26 -0.31 121.76 131.68 1wtf s ALA 33 Ca 0.32 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 1wtf s ALA 33 Cb -0.19 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.69 1wtf s ALA 33 CO 0.19 -1.01 0.44 1.52 0.00 0.00 0.00 175.76 176.90 1wtf s TYR 34 N -2.38 -0.28 -0.22 0.00 1.13 -0.34 -4.77 117.35 110.49 1wtf s TYR 34 Ca 0.65 0.14 -0.24 0.00 -1.41 0.00 0.00 57.07 56.21 1wtf s TYR 34 Cb -0.18 0.27 -0.01 0.00 -1.10 0.00 0.00 41.96 40.94 1wtf s TYR 34 CO 0.39 -0.65 0.81 0.08 -2.51 0.00 0.00 175.55 173.67 1wtf s VAL 35 N -3.06 4.86 -1.26 -3.49 1.01 -1.26 -1.70 120.40 115.50 1wtf s VAL 35 Ca -0.02 1.55 0.29 0.00 0.00 0.00 0.00 61.98 63.81 1wtf s VAL 35 Cb 0.00 -4.11 0.36 0.00 0.00 0.00 0.00 36.38 32.64 1wtf s VAL 35 CO -0.07 -0.04 1.93 0.35 0.00 0.00 0.00 175.10 177.28 1wtf n THR 36 N 5.11 0.00 0.21 3.92 -2.24 0.10 -0.68 114.28 120.70 1wtf n THR 36 Ca 0.05 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 1wtf n THR 36 Cb 0.48 -0.39 0.39 0.00 -2.10 0.00 0.00 70.33 68.72 1wtf n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wtf h LEU 37 N 0.08 0.00 -4.37 3.22 3.38 -1.86 -3.38 115.31 112.39 1wtf h LEU 37 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1wtf h LEU 37 Cb 0.40 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.98 1wtf h LEU 37 CO 0.00 0.27 -0.33 -0.90 0.09 0.00 0.00 178.44 177.57 1wtf n ASP 38 N -3.40 -1.16 -3.97 -0.43 3.85 -1.24 -4.87 116.55 105.33 1wtf n ASP 38 Ca 0.00 -2.16 -0.30 0.00 -0.71 0.00 0.00 54.79 51.63 1wtf n ASP 38 Cb 0.47 0.53 0.00 0.00 -1.35 0.00 0.00 41.12 40.77 1wtf n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1wtf n ASP 39 N -1.15 -3.03 -2.68 -1.12 4.64 -1.10 -1.86 116.55 110.25 1wtf n ASP 39 Ca -0.18 -0.89 -0.19 0.00 -1.38 0.00 0.00 54.79 52.15 1wtf n ASP 39 Cb 0.84 -3.46 0.00 0.00 -1.04 0.00 0.00 41.12 37.47 1wtf n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1wtf n ASN 40 N -2.85 -5.07 -0.68 1.67 5.15 0.15 -4.88 115.26 108.75 1wtf n ASN 40 Ca -0.07 -0.06 0.10 0.00 -0.60 0.00 0.00 54.58 53.95 1wtf n ASN 40 Cb 0.57 -4.20 0.05 0.00 -0.53 0.00 0.00 39.78 35.67 1wtf n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wtf n GLN 41 N -3.28 1.69 -3.56 1.20 1.13 -0.78 -4.77 117.38 109.00 1wtf n GLN 41 Ca -0.16 -1.43 -0.21 0.00 -1.94 0.00 0.00 57.00 53.26 1wtf n GLN 41 Cb 0.63 -1.38 0.07 0.00 0.11 0.00 0.00 30.24 29.67 1wtf n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wtf n GLY 42 N 1.18 -0.43 0.00 1.08 0.00 -1.25 -0.29 105.19 105.47 1wtf n GLY 42 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1wtf n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wtf n ILE 43 N -4.52 0.00 -3.77 -0.61 -5.35 -1.26 -0.14 119.36 103.71 1wtf n ILE 43 Ca -0.15 -0.34 -0.36 0.00 -0.27 0.00 0.00 62.75 61.62 1wtf n ILE 43 Cb 0.62 0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 39.35 1wtf n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1wtf s VAL 44 N -0.97 5.43 0.20 7.28 1.01 -1.26 -4.97 120.40 127.11 1wtf s VAL 44 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1wtf s VAL 44 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 1wtf s VAL 44 CO 0.00 0.52 1.33 -1.61 0.00 0.00 0.00 175.10 175.34 1wtf s GLU 45 N -0.30 4.37 0.09 2.72 2.02 -1.26 -4.64 118.70 121.71 1wtf s GLU 45 Ca 0.12 2.08 -0.31 0.00 0.02 0.00 0.00 54.97 56.88 1wtf s GLU 45 Cb -0.12 -3.19 -0.07 0.00 0.10 0.00 0.00 34.13 30.85 1wtf s GLU 45 CO 0.02 -0.28 1.29 0.08 0.02 0.00 0.00 175.26 176.39 1wtf s VAL 46 N 0.17 3.66 0.25 2.63 1.01 0.45 -4.95 120.40 123.62 1wtf s VAL 46 Ca 0.57 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 1wtf s VAL 46 Cb -0.37 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 1wtf s VAL 46 CO 0.38 0.10 1.15 -2.65 0.00 0.00 0.00 175.10 174.08 1wtf n PRO 47 N 3.86 1.50 -0.32 2.72 -0.02 -1.26 -4.72 135.00 136.76 1wtf n PRO 47 Ca 0.10 0.53 0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1wtf n PRO 47 Cb 0.44 -2.01 0.34 0.00 -0.02 0.00 0.00 33.50 32.26 1wtf n PRO 47 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wtf h ASP 48 N 2.83 0.48 0.17 2.55 3.45 -2.00 -0.05 116.42 123.85 1wtf h ASP 48 Ca -0.42 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.19 1wtf h ASP 48 Cb 1.32 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 40.19 1wtf h ASP 48 CO 0.66 0.04 0.00 0.40 -1.57 0.00 0.00 179.24 178.77 1wtf h ILE 49 N 0.47 0.00 -0.01 0.35 1.08 -2.03 -2.69 117.51 114.68 1wtf h ILE 49 Ca 0.60 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.99 1wtf h ILE 49 Cb 1.15 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1wtf h ILE 49 CO -0.51 0.00 -0.08 0.18 -0.69 0.00 0.00 178.15 177.05 1wtf n LEU 50 N -2.70 1.93 -0.19 1.44 4.77 -0.05 -4.68 117.00 117.53 1wtf n LEU 50 Ca -0.02 -0.93 -0.04 0.00 -0.03 0.00 0.00 56.01 55.00 1wtf n LEU 50 Cb 0.10 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1wtf n LEU 50 CO 0.17 0.36 1.05 0.40 -1.33 0.00 0.00 177.39 178.04 1wtf h ILE 51 N 2.33 0.97 -0.63 -0.08 1.08 -1.31 0.55 117.51 120.42 1wtf h ILE 51 Ca 0.00 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1wtf h ILE 51 Cb 0.54 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 1wtf h ILE 51 CO 0.00 0.10 0.22 0.44 -0.69 0.00 0.00 178.15 178.22 1wtf h ASP 52 N 0.57 0.90 -0.56 1.72 3.32 -1.83 -1.14 116.42 119.41 1wtf h ASP 52 Ca 0.25 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1wtf h ASP 52 Cb 0.14 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1wtf h ASP 52 CO -0.16 0.85 0.15 0.44 -1.72 0.00 0.00 179.24 178.81 1wtf h ASP 53 N 0.90 0.87 -0.25 6.45 3.45 -1.79 -1.01 116.42 125.04 1wtf h ASP 53 Ca 0.21 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 1wtf h ASP 53 Cb 0.26 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1wtf h ASP 53 CO -0.01 0.84 0.15 -0.03 -1.57 0.00 0.00 179.24 178.62 1wtf h MET 54 N 0.89 0.34 -0.13 3.56 4.05 -0.39 -1.35 114.93 121.91 1wtf h MET 54 Ca 0.19 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.50 1wtf h MET 54 Cb 0.31 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1wtf h MET 54 CO -0.00 0.26 -0.31 0.52 0.23 0.00 0.00 176.91 177.61 1wtf h MET 55 N 0.31 0.24 -0.49 0.39 2.86 -0.91 0.14 114.93 117.48 1wtf h MET 55 Ca 0.09 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1wtf h MET 55 Cb 0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1wtf h MET 55 CO -0.02 0.53 0.21 -0.44 1.06 0.00 0.00 176.91 178.26 1wtf h ASP 56 N 0.21 0.66 -0.24 1.22 3.45 -0.76 -0.20 116.42 120.75 1wtf h ASP 56 Ca 0.03 -0.15 -0.07 0.00 0.43 0.00 0.00 57.03 57.27 1wtf h ASP 56 Cb 0.66 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 1wtf h ASP 56 CO 0.05 0.63 -0.11 0.00 -1.57 0.00 0.00 179.24 178.24 1wtf h ALA 57 N 1.05 0.34 -0.40 3.45 0.00 -0.82 0.45 119.26 123.34 1wtf h ALA 57 Ca 0.16 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1wtf h ALA 57 Cb 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1wtf h ALA 57 CO -0.02 0.19 0.01 0.35 0.00 0.00 0.00 179.25 179.79 1wtf h PHE 58 N 0.23 -0.00 -0.02 0.00 3.57 -0.62 -1.29 116.94 118.81 1wtf h PHE 58 Ca 0.06 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 1wtf h PHE 58 Cb 0.60 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1wtf h PHE 58 CO 0.06 -0.07 -0.69 0.93 -2.23 0.00 0.00 178.31 176.31 1wtf h GLU 59 N 0.12 0.10 0.00 1.11 4.39 -0.95 -3.30 114.58 116.05 1wtf h GLU 59 Ca 0.20 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1wtf h GLU 59 Cb 0.27 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1wtf h GLU 59 CO -0.32 0.75 -0.39 0.78 -1.16 0.00 0.00 179.01 178.67 1wtf h GLY 60 N 1.86 0.00 -5.51 -3.84 0.00 -0.50 -3.45 103.07 91.63 1wtf h GLY 60 Ca -0.01 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.77 1wtf h GLY 60 CO 0.10 0.00 1.19 0.00 0.00 0.00 0.00 176.54 177.83 1wtf h PRO 62 N 10.56 0.00 -0.21 0.00 0.11 -1.92 -2.91 132.00 137.65 1wtf h PRO 62 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wtf h PRO 62 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wtf h PRO 62 CO 0.95 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 179.01 1wtf n THR 63 N -3.17 0.30 -3.05 -1.15 -2.24 -1.26 -4.96 114.28 98.75 1wtf n THR 63 Ca -0.01 -0.65 -0.22 0.00 -2.27 0.00 0.00 64.05 60.90 1wtf n THR 63 Cb 0.20 1.14 0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1wtf n THR 63 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wtf n ASP 64 N 1.19 -5.17 0.19 3.42 8.00 -1.10 -4.87 116.55 118.22 1wtf n ASP 64 Ca 0.15 -0.27 0.11 0.00 0.71 0.00 0.00 54.79 55.49 1wtf n ASP 64 Cb 0.52 -4.22 0.12 0.00 -0.02 0.00 0.00 41.12 37.52 1wtf n ASP 64 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1wtf h SER 65 N -1.07 0.00 -3.38 -2.24 0.02 -1.89 -3.44 113.55 101.55 1wtf h SER 65 Ca -0.48 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.92 1wtf h SER 65 Cb 1.33 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 1wtf h SER 65 CO 0.54 0.04 0.18 -0.63 -1.14 0.00 0.00 176.83 175.82 1wtf s ILE 66 N -3.22 4.98 0.13 3.27 1.01 -1.26 -0.74 121.20 125.36 1wtf s ILE 66 Ca 0.05 1.64 0.08 0.00 0.00 0.00 0.00 60.65 62.42 1wtf s ILE 66 Cb 0.06 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1wtf s ILE 66 CO 0.70 0.23 -0.11 -0.54 0.00 0.00 0.00 174.94 175.22 1wtf s LYS 67 N 0.82 2.04 -0.03 2.79 -0.14 -0.38 -4.91 119.74 119.94 1wtf s LYS 67 Ca 0.42 -1.11 0.01 0.00 -1.36 0.00 0.00 55.97 53.92 1wtf s LYS 67 Cb -0.19 -2.23 0.02 0.00 -1.68 0.00 0.00 37.83 33.75 1wtf s LYS 67 CO 0.21 0.48 -0.01 0.08 -0.76 0.00 0.00 175.35 175.36 1wtf s VAL 68 N -1.32 0.24 0.15 3.17 1.01 -1.26 -2.54 120.40 119.85 1wtf s VAL 68 Ca 0.22 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1wtf s VAL 68 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1wtf s VAL 68 CO 0.13 0.15 0.17 0.00 0.00 0.00 0.00 175.10 175.56 1wtf s ALA 69 N 0.86 0.40 -2.16 5.51 0.00 -0.63 -4.98 121.76 120.76 1wtf s ALA 69 Ca -0.09 -1.16 0.28 0.00 0.00 0.00 0.00 51.96 50.99 1wtf s ALA 69 Cb -0.12 0.86 0.98 0.00 0.00 0.00 0.00 23.12 24.83 1wtf s ALA 69 CO -0.01 -0.57 1.70 -0.25 0.00 0.00 0.00 175.76 176.63 1wtf n ASP 70 N -0.15 1.22 -4.03 0.00 10.43 -1.26 -1.04 116.55 121.71 1wtf n ASP 70 Ca -0.07 -1.20 -0.08 0.00 2.57 0.00 0.00 54.79 56.01 1wtf n ASP 70 Cb 0.63 0.05 -0.10 0.00 1.84 0.00 0.00 41.12 43.53 1wtf n ASP 70 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1wtf s GLU 71 N -2.22 0.48 0.59 -1.24 -1.05 -1.26 -4.53 118.70 109.48 1wtf s GLU 71 Ca 0.33 -0.94 -0.19 0.00 -0.15 0.00 0.00 54.97 54.02 1wtf s GLU 71 Cb 0.20 0.17 -0.05 0.00 -0.44 0.00 0.00 34.13 34.01 1wtf s GLU 71 CO 0.41 -0.09 1.00 -2.30 0.95 0.00 0.00 175.26 175.24 1wtf n PRO 72 N 0.77 0.98 0.07 -4.83 -0.02 -1.26 -4.74 135.00 125.96 1wtf n PRO 72 Ca -0.18 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1wtf n PRO 72 Cb 0.58 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1wtf n PRO 72 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1wtf n PHE 73 N -1.62 0.75 -3.93 6.00 3.01 0.80 -4.98 117.46 117.48 1wtf n PHE 73 Ca 0.13 0.22 -0.27 0.00 1.01 0.00 0.00 57.45 58.54 1wtf n PHE 73 Cb 0.47 -0.87 -0.00 0.00 -0.01 0.00 0.00 39.48 39.06 1wtf n PHE 73 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wtf n ASP 74 N -2.61 -1.85 0.00 4.37 8.00 -1.08 -1.81 116.55 121.57 1wtf n ASP 74 Ca -0.02 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1wtf n ASP 74 Cb 0.59 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 1wtf n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtf n GLY 75 N -1.74 2.36 3.32 0.44 0.00 0.60 -5.01 105.19 105.15 1wtf n GLY 75 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1wtf n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wtf s ASP 76 N -2.83 5.82 0.26 1.61 3.68 -0.75 -4.94 116.67 119.53 1wtf s ASP 76 Ca 0.00 -1.42 0.21 0.00 2.13 0.00 0.00 52.55 53.47 1wtf s ASP 76 Cb 0.00 -2.06 0.99 0.00 -1.45 0.00 0.00 42.92 40.41 1wtf s ASP 76 CO 0.00 -0.57 1.65 -0.81 0.13 0.00 0.00 175.17 175.57 1wtf n PRO 77 N 5.02 0.16 -0.45 4.34 -0.04 -1.26 -1.97 135.00 140.80 1wtf n PRO 77 Ca -0.11 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 63.93 1wtf n PRO 77 Cb 0.43 -1.87 0.27 0.00 -0.04 0.00 0.00 33.50 32.29 1wtf n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wtf n ASN 78 N -2.18 4.00 -0.25 3.54 3.02 -1.26 -4.67 115.26 117.46 1wtf n ASN 78 Ca 0.01 -2.62 0.13 0.00 -0.03 0.00 0.00 54.58 52.07 1wtf n ASN 78 Cb 0.14 -0.48 0.41 0.00 -0.61 0.00 0.00 39.78 39.23 1wtf n ASN 78 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1wtf h LYS 79 N 2.56 0.61 -0.48 3.52 3.64 -1.72 -1.55 116.57 123.15 1wtf h LYS 79 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wtf h LYS 79 Cb 1.31 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1wtf h LYS 79 CO 0.19 0.41 0.00 1.19 -2.27 0.00 0.00 179.45 178.97 1wtf n PHE 80 N -4.55 1.63 0.48 1.91 3.01 -1.26 -5.18 117.46 113.51 1wtf n PHE 80 Ca 0.17 -0.76 0.06 0.00 1.01 0.00 0.00 57.45 57.93 1wtf n PHE 80 Cb 0.49 -0.41 0.05 0.00 -0.01 0.00 0.00 39.48 39.59 1wtf n PHE 80 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16