#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 1.81 0.13 0.54 -0.14 -1.26 -4.33 119.74 116.49 1wtf s LYS 2 Ca 0.00 -1.05 0.08 0.00 -1.36 0.00 0.00 55.97 53.65 1wtf s LYS 2 Cb 0.00 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.19 1wtf s LYS 2 CO 0.00 0.50 -0.20 0.71 -0.76 0.00 0.00 175.35 175.61 1wtf s TYR 3 N -0.76 1.78 0.06 3.18 1.51 0.12 -0.47 117.35 122.78 1wtf s TYR 3 Ca 0.11 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1wtf s TYR 3 Cb -0.10 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 1wtf s TYR 3 CO 0.01 0.25 0.08 -0.08 -1.11 0.00 0.00 175.55 174.70 1wtf s THR 4 N -1.53 0.16 0.02 -0.71 -1.32 -1.26 -1.60 115.64 109.40 1wtf s THR 4 Ca 0.10 -1.35 -0.27 0.00 -1.21 0.00 0.00 61.69 58.95 1wtf s THR 4 Cb -0.08 -1.23 0.09 0.00 -1.51 0.00 0.00 72.50 69.77 1wtf s THR 4 CO 0.05 -0.75 0.78 -0.51 -2.21 0.00 0.00 174.62 171.99 1wtf s ILE 5 N -3.41 0.00 -0.14 5.08 2.07 -1.15 -3.90 121.20 119.75 1wtf s ILE 5 Ca 0.02 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.23 1wtf s ILE 5 Cb 0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 1wtf s ILE 5 CO -0.08 0.00 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.22 1wtf s VAL 6 N -2.76 3.93 -0.65 4.00 1.01 -1.26 -1.29 120.40 123.38 1wtf s VAL 6 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 1wtf s VAL 6 Cb -0.01 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1wtf s VAL 6 CO -0.06 0.51 1.11 -0.62 0.00 0.00 0.00 175.10 176.04 1wtf s ASP 7 N 0.18 6.26 0.36 3.32 -1.08 -0.24 -4.84 116.67 120.64 1wtf s ASP 7 Ca -0.02 -0.44 0.27 0.00 -0.52 0.00 0.00 52.55 51.85 1wtf s ASP 7 Cb -0.14 -2.50 1.15 0.00 -1.46 0.00 0.00 42.92 39.97 1wtf s ASP 7 CO 0.03 -1.54 1.81 0.11 0.52 0.00 0.00 175.17 176.10 1wtf h LYS 8 N 9.66 0.00 0.04 4.34 1.57 -1.89 -2.59 116.57 127.71 1wtf h LYS 8 Ca -0.27 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.27 1wtf h LYS 8 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1wtf h LYS 8 CO 1.20 0.00 -1.02 0.93 -0.57 0.00 0.00 179.45 179.98 1wtf h GLU 9 N 0.00 0.33 -0.00 3.15 5.08 -1.99 -3.28 114.58 117.87 1wtf h GLU 9 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1wtf h GLU 9 Cb 0.38 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wtf h GLU 9 CO 0.00 1.11 -0.51 0.25 -1.00 0.00 0.00 179.01 178.86 1wtf n THR 10 N -3.67 0.00 -2.10 1.13 -2.24 -1.07 -4.90 114.28 101.44 1wtf n THR 10 Ca -0.07 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1wtf n THR 10 Cb 0.89 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 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 3.61 2.25 -2.71 0.00 -5.35 -1.26 -4.97 119.36 110.92 1wtf n ILE 12 Ca 0.11 -2.92 -0.18 0.00 -0.27 0.00 0.00 62.75 59.49 1wtf n ILE 12 Cb 0.41 -0.26 0.02 0.00 -1.74 0.00 0.00 39.64 38.07 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 -1.14 -0.71 -0.35 -1.28 0.00 -1.26 -4.92 120.51 110.85 1wtf n ALA 13 Ca 0.22 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.84 1wtf n ALA 13 Cb 0.78 -2.89 0.09 0.00 0.00 0.00 0.00 19.45 17.43 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 -1.21 0.74 0.15 0.00 0.00 -1.26 -4.93 105.19 98.67 1wtf n GLY 15 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 0.93 -0.02 4.61 0.00 -1.91 -3.20 119.26 119.67 1wtf h ALA 16 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wtf h ALA 16 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wtf h ALA 16 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1wtf h GLY 18 N -0.23 0.28 1.25 0.00 0.00 -1.77 0.60 103.07 103.20 1wtf h GLY 18 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1wtf h GLY 18 CO 0.00 0.23 -0.28 0.00 0.00 0.00 0.00 176.54 176.49 1wtf h ALA 19 N 1.41 0.75 0.02 3.60 0.00 -1.52 -2.11 119.26 121.41 1wtf h ALA 19 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 1wtf h ALA 19 Cb 0.75 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wtf h ALA 19 CO 0.06 0.66 -1.05 0.00 0.00 0.00 0.00 179.25 178.91 1wtf h ALA 20 N 0.96 0.31 -1.26 0.00 0.00 -0.97 -3.40 119.26 114.90 1wtf h ALA 20 Ca 0.09 -0.91 -0.43 0.00 0.00 0.00 0.00 54.91 53.65 1wtf h ALA 20 Cb 0.83 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.20 1wtf h ALA 20 CO 0.07 1.21 -0.88 0.00 0.00 0.00 0.00 179.25 179.65 1wtf n ALA 21 N -2.38 1.00 0.30 0.00 0.00 0.18 -4.75 120.51 114.85 1wtf n ALA 21 Ca -0.02 -2.66 0.17 0.00 0.00 0.00 0.00 53.44 50.94 1wtf n ALA 21 Cb 0.96 -1.01 0.99 0.00 0.00 0.00 0.00 19.45 20.39 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 3.91 0.00 -0.02 0.00 0.13 -1.58 -0.23 132.00 134.22 1wtf h PRO 22 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1wtf h PRO 22 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wtf h PRO 22 CO 0.41 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 1wtf n ASP 23 N -3.63 0.66 -0.01 1.44 8.00 -1.26 -4.17 116.55 117.59 1wtf n ASP 23 Ca -0.03 -1.27 -0.01 0.00 0.71 0.00 0.00 54.79 54.19 1wtf n ASP 23 Cb 0.10 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.46 0.07 -4.90 0.53 5.41 -0.20 -4.74 119.36 115.07 1wtf n ILE 24 Ca 0.21 -0.02 -0.33 0.00 1.00 0.00 0.00 62.75 63.61 1wtf n ILE 24 Cb 0.21 -1.04 -0.14 0.00 -0.71 0.00 0.00 39.64 37.96 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 -2.02 2.71 0.16 1.39 1.51 -0.60 -0.62 117.35 119.88 1wtf s TYR 25 Ca -0.02 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 1wtf s TYR 25 Cb 0.01 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1wtf s TYR 25 CO 0.03 -0.08 0.11 -3.47 -1.11 0.00 0.00 175.55 171.02 1wtf n ASP 26 N 3.01 0.08 -4.27 2.29 4.64 -0.74 -4.39 116.55 117.17 1wtf n ASP 26 Ca -0.18 -1.96 -0.29 0.00 -1.38 0.00 0.00 54.79 50.99 1wtf n ASP 26 Cb 0.52 0.65 -0.15 0.00 -1.04 0.00 0.00 41.12 41.11 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 -2.49 2.07 0.22 -0.67 1.51 -1.26 -0.99 117.35 115.74 1wtf s TYR 27 Ca 0.15 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 1wtf s TYR 27 Cb 0.01 -1.30 0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1wtf s TYR 27 CO 0.11 0.01 0.30 -0.40 -1.11 0.00 0.00 175.55 174.45 1wtf n ASP 28 N 2.29 0.07 0.05 2.29 5.68 -0.06 -4.86 116.55 122.02 1wtf n ASP 28 Ca -0.16 -1.14 0.08 0.00 -0.50 0.00 0.00 54.79 53.08 1wtf n ASP 28 Cb 0.52 -0.22 0.36 0.00 -1.14 0.00 0.00 41.12 40.65 1wtf n ASP 28 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1wtf n GLU 29 N -1.61 0.07 -0.47 0.11 0.00 -1.26 -1.76 120.64 115.72 1wtf n GLU 29 Ca 0.04 0.33 0.08 0.00 0.00 0.00 0.00 57.16 57.61 1wtf n GLU 29 Cb 0.13 -1.64 0.28 0.00 0.00 0.00 0.00 31.44 30.21 1wtf n GLU 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1wtf n ASP 30 N -1.77 4.07 0.00 -1.84 8.00 -1.26 -4.95 116.55 118.79 1wtf n ASP 30 Ca 0.03 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.94 1wtf n ASP 30 Cb 0.18 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.33 0.45 3.78 0.44 0.00 -0.72 -5.02 105.19 104.45 1wtf n GLY 31 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.05 5.07 0.73 -0.61 -1.09 -1.26 -4.50 121.20 117.48 1wtf s ILE 32 Ca 0.00 0.92 -0.11 0.00 -2.23 0.00 0.00 60.65 59.23 1wtf s ILE 32 Cb 0.00 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1wtf s ILE 32 CO 0.00 0.47 1.07 0.00 -1.23 0.00 0.00 174.94 175.25 1wtf s ALA 33 N -0.34 2.49 0.12 9.38 0.00 -1.26 -0.88 121.76 131.27 1wtf s ALA 33 Ca 0.25 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 1wtf s ALA 33 Cb -0.16 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1wtf s ALA 33 CO 0.12 -1.46 0.62 1.52 0.00 0.00 0.00 175.76 176.56 1wtf s TYR 34 N -2.98 -0.56 -0.26 0.00 1.13 -0.16 -4.80 117.35 109.73 1wtf s TYR 34 Ca 0.59 0.48 -0.22 0.00 -1.41 0.00 0.00 57.07 56.51 1wtf s TYR 34 Cb -0.15 0.53 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 1wtf s TYR 34 CO 0.55 -0.80 0.72 0.08 -2.51 0.00 0.00 175.55 173.60 1wtf s VAL 35 N -3.24 4.90 -0.06 -3.49 1.01 -1.26 -1.80 120.40 116.47 1wtf s VAL 35 Ca -0.01 1.28 0.23 0.00 0.00 0.00 0.00 61.98 63.48 1wtf s VAL 35 Cb -0.01 -4.03 0.24 0.00 0.00 0.00 0.00 36.38 32.58 1wtf s VAL 35 CO -0.08 -0.06 1.72 0.71 0.00 0.00 0.00 175.10 177.39 1wtf h THR 36 N 5.45 0.42 -0.36 3.92 1.35 -1.20 0.44 112.91 122.92 1wtf h THR 36 Ca -0.25 -1.24 0.05 0.00 -0.55 0.00 0.00 66.41 64.42 1wtf h THR 36 Cb 1.11 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 1wtf h THR 36 CO 0.83 0.20 0.25 -0.07 -0.25 0.00 0.00 175.52 176.47 1wtf h LEU 37 N 0.00 0.24 -2.98 3.87 3.38 -1.85 -3.32 115.31 114.65 1wtf h LEU 37 Ca -0.00 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1wtf h LEU 37 Cb 0.90 -0.05 -0.26 0.00 0.09 0.00 0.00 40.66 41.34 1wtf h LEU 37 CO 0.03 0.16 -0.66 -0.90 0.09 0.00 0.00 178.44 177.16 1wtf n ASP 38 N -4.48 -0.03 -3.91 -0.43 3.85 -1.22 -4.88 116.55 105.45 1wtf n ASP 38 Ca 0.04 -2.02 -0.29 0.00 -0.71 0.00 0.00 54.79 51.81 1wtf n ASP 38 Cb 0.23 0.03 0.02 0.00 -1.35 0.00 0.00 41.12 40.05 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 -0.00 -3.64 -2.32 -1.12 4.64 -0.78 -2.30 116.55 111.04 1wtf n ASP 39 Ca -0.11 -0.83 -0.20 0.00 -1.38 0.00 0.00 54.79 52.28 1wtf n ASP 39 Cb 0.90 -3.73 -0.00 0.00 -1.04 0.00 0.00 41.12 37.26 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 -2.87 -5.60 -0.48 1.67 5.15 0.08 -4.89 115.26 108.31 1wtf n ASN 40 Ca -0.04 -0.07 0.11 0.00 -0.60 0.00 0.00 54.58 53.98 1wtf n ASN 40 Cb 0.56 -4.60 -0.01 0.00 -0.53 0.00 0.00 39.78 35.20 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 -3.04 1.20 -3.47 1.20 1.13 -0.97 -4.79 117.38 108.64 1wtf n GLN 41 Ca -0.21 -0.98 -0.23 0.00 -1.94 0.00 0.00 57.00 53.65 1wtf n GLN 41 Cb 0.66 -1.47 0.07 0.00 0.11 0.00 0.00 30.24 29.61 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 1.41 -0.48 0.00 1.08 0.00 -1.25 -0.88 105.19 105.07 1wtf n GLY 42 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.85 0.00 -3.76 -0.61 -5.35 -1.26 -0.68 119.36 102.85 1wtf n ILE 43 Ca -0.01 -0.41 -0.35 0.00 -0.27 0.00 0.00 62.75 61.71 1wtf n ILE 43 Cb 0.57 1.03 -0.08 0.00 -1.74 0.00 0.00 39.64 39.41 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 -0.70 5.40 0.20 7.28 1.01 -1.26 -4.97 120.40 127.36 1wtf s VAL 44 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1wtf s VAL 44 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 1wtf s VAL 44 CO 0.00 0.47 1.42 -0.70 0.00 0.00 0.00 175.10 176.29 1wtf s GLU 45 N 0.15 4.30 0.03 2.72 2.12 -1.26 -4.62 118.70 122.13 1wtf s GLU 45 Ca 0.09 2.21 -0.30 0.00 0.36 0.00 0.00 54.97 57.33 1wtf s GLU 45 Cb -0.11 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 1wtf s GLU 45 CO -0.01 -0.41 1.45 0.08 -0.54 0.00 0.00 175.26 175.83 1wtf s VAL 46 N 0.39 3.51 0.30 3.70 1.01 0.38 -4.96 120.40 124.75 1wtf s VAL 46 Ca 0.61 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.26 1wtf s VAL 46 Cb -0.40 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1wtf s VAL 46 CO 0.38 0.01 1.11 -2.65 0.00 0.00 0.00 175.10 173.95 1wtf n PRO 47 N 5.20 1.62 -0.24 2.72 -0.02 -1.26 -4.71 135.00 138.31 1wtf n PRO 47 Ca 0.13 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1wtf n PRO 47 Cb 0.43 -2.01 0.38 0.00 -0.02 0.00 0.00 33.50 32.28 1wtf n PRO 47 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1wtf h ASP 48 N 2.22 0.64 0.32 2.55 3.58 -2.01 0.14 116.42 123.86 1wtf h ASP 48 Ca -0.42 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1wtf h ASP 48 Cb 1.32 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1wtf h ASP 48 CO 0.61 0.35 0.00 -0.29 -2.88 0.00 0.00 179.24 177.03 1wtf h ILE 49 N 0.69 0.00 -0.17 2.25 6.09 -2.03 -2.51 117.51 121.83 1wtf h ILE 49 Ca 0.40 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 1wtf h ILE 49 Cb 0.60 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.86 1wtf h ILE 49 CO -0.17 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.09 1wtf n LEU 50 N -2.74 2.49 -0.22 2.19 4.77 0.48 -4.60 117.00 119.38 1wtf n LEU 50 Ca -0.01 -1.38 -0.06 0.00 -0.03 0.00 0.00 56.01 54.53 1wtf n LEU 50 Cb 0.13 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1wtf n LEU 50 CO 0.19 0.54 1.13 0.40 -1.33 0.00 0.00 177.39 178.31 1wtf h ILE 51 N 2.55 1.16 -0.54 -0.08 1.08 -1.25 -0.98 117.51 119.46 1wtf h ILE 51 Ca 0.00 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 1wtf h ILE 51 Cb 0.64 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1wtf h ILE 51 CO 0.00 0.16 0.23 0.44 -0.69 0.00 0.00 178.15 178.29 1wtf h ASP 52 N 0.84 0.73 -0.65 1.72 3.45 -1.81 -1.28 116.42 119.41 1wtf h ASP 52 Ca 0.23 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 1wtf h ASP 52 Cb -0.08 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.47 1wtf h ASP 52 CO -0.05 0.68 0.37 0.44 -1.57 0.00 0.00 179.24 179.11 1wtf h ASP 53 N 0.73 0.80 -0.53 6.45 3.45 -1.80 -1.38 116.42 124.14 1wtf h ASP 53 Ca 0.18 -0.08 0.06 0.00 0.43 0.00 0.00 57.03 57.62 1wtf h ASP 53 Cb 0.17 -0.20 -0.05 0.00 -0.56 0.00 0.00 39.33 38.68 1wtf h ASP 53 CO -0.02 0.65 0.23 -0.03 -1.57 0.00 0.00 179.24 178.51 1wtf h MET 54 N 0.89 0.44 -0.27 3.56 4.05 -0.82 -0.63 114.93 122.14 1wtf h MET 54 Ca 0.23 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.54 1wtf h MET 54 Cb 0.02 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1wtf h MET 54 CO -0.04 0.29 -0.20 0.52 0.23 0.00 0.00 176.91 177.71 1wtf h MET 55 N 0.45 0.49 -0.67 0.39 2.86 -0.88 0.10 114.93 117.68 1wtf h MET 55 Ca 0.25 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1wtf h MET 55 Cb 0.22 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1wtf h MET 55 CO -0.21 0.67 0.36 -0.44 1.06 0.00 0.00 176.91 178.35 1wtf h ASP 56 N 0.44 0.84 -0.35 1.22 3.45 -0.38 -0.99 116.42 120.65 1wtf h ASP 56 Ca 0.07 -0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.35 1wtf h ASP 56 Cb 0.60 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1wtf h ASP 56 CO 0.04 0.69 -0.11 0.00 -1.57 0.00 0.00 179.24 178.30 1wtf h ALA 57 N 1.18 0.49 -0.78 3.45 0.00 -0.65 0.16 119.26 123.11 1wtf h ALA 57 Ca 0.23 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wtf h ALA 57 Cb 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1wtf h ALA 57 CO -0.04 0.36 0.47 0.35 0.00 0.00 0.00 179.25 180.40 1wtf h PHE 58 N 0.49 0.88 0.02 0.00 3.57 -0.64 -1.10 116.94 120.16 1wtf h PHE 58 Ca 0.09 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.39 1wtf h PHE 58 Cb 0.63 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1wtf h PHE 58 CO 0.05 0.46 -0.97 1.49 -2.23 0.00 0.00 178.31 177.11 1wtf h GLU 59 N 0.88 0.35 0.00 1.11 4.81 -1.05 -3.32 114.58 117.36 1wtf h GLU 59 Ca 0.33 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1wtf h GLU 59 Cb 0.13 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1wtf h GLU 59 CO -0.16 1.09 -0.27 0.78 -0.73 0.00 0.00 179.01 179.72 1wtf h GLY 60 N 1.40 0.00 -5.65 1.92 0.00 -0.44 -3.44 103.07 96.86 1wtf h GLY 60 Ca -0.08 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.69 1wtf h GLY 60 CO 0.16 0.00 1.11 0.00 0.00 0.00 0.00 176.54 177.81 1wtf h PRO 62 N 10.15 0.00 -0.34 0.00 0.13 -1.92 -2.85 132.00 137.17 1wtf h PRO 62 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1wtf h PRO 62 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wtf h PRO 62 CO 0.98 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.00 1wtf n THR 63 N -2.64 0.49 -2.69 1.56 -2.24 -1.26 -4.96 114.28 102.54 1wtf n THR 63 Ca 0.01 -0.75 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 1wtf n THR 63 Cb 0.24 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.30 -4.73 0.22 3.42 8.00 -1.08 -4.87 116.55 118.82 1wtf n ASP 64 Ca 0.17 -0.04 0.13 0.00 0.71 0.00 0.00 54.79 55.76 1wtf n ASP 64 Cb 0.56 -3.94 0.27 0.00 -0.02 0.00 0.00 41.12 37.98 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 -0.41 0.00 -3.35 -2.24 0.02 -1.89 -3.43 113.55 102.25 1wtf h SER 65 Ca -0.41 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.97 1wtf h SER 65 Cb 1.29 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.77 1wtf h SER 65 CO 0.47 0.00 0.22 -0.63 -1.14 0.00 0.00 176.83 175.76 1wtf s ILE 66 N -3.28 4.97 0.06 3.27 -1.09 -1.26 -1.08 121.20 122.80 1wtf s ILE 66 Ca 0.06 1.51 0.07 0.00 -2.23 0.00 0.00 60.65 60.07 1wtf s ILE 66 Cb 0.06 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1wtf s ILE 66 CO 0.64 0.14 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.81 1wtf s LYS 67 N 1.48 2.10 -0.03 2.79 -0.14 -0.41 -4.88 119.74 120.64 1wtf s LYS 67 Ca 0.37 -0.99 0.02 0.00 -1.36 0.00 0.00 55.97 54.01 1wtf s LYS 67 Cb -0.17 -2.24 0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1wtf s LYS 67 CO 0.15 0.53 -0.09 0.08 -0.76 0.00 0.00 175.35 175.26 1wtf s VAL 68 N -1.04 0.81 0.23 3.17 1.01 -1.26 -2.91 120.40 120.40 1wtf s VAL 68 Ca 0.17 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1wtf s VAL 68 Cb -0.11 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1wtf s VAL 68 CO 0.08 0.26 0.27 0.00 0.00 0.00 0.00 175.10 175.71 1wtf s ALA 69 N 0.37 0.69 -2.34 5.51 0.00 -0.63 -4.98 121.76 120.38 1wtf s ALA 69 Ca -0.06 -1.42 0.24 0.00 0.00 0.00 0.00 51.96 50.72 1wtf s ALA 69 Cb -0.11 1.27 0.27 0.00 0.00 0.00 0.00 23.12 24.56 1wtf s ALA 69 CO 0.01 -0.69 1.28 -0.25 0.00 0.00 0.00 175.76 176.10 1wtf n ASP 70 N -0.39 2.13 -4.09 0.00 10.43 -1.26 -0.70 116.55 122.67 1wtf n ASP 70 Ca 0.01 -1.57 -0.11 0.00 2.57 0.00 0.00 54.79 55.68 1wtf n ASP 70 Cb 0.64 0.24 -0.11 0.00 1.84 0.00 0.00 41.12 43.73 1wtf n ASP 70 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1wtf s GLU 71 N -2.29 0.62 0.63 -1.24 0.41 -1.26 -4.56 118.70 111.02 1wtf s GLU 71 Ca 0.24 -0.99 -0.18 0.00 -0.41 0.00 0.00 54.97 53.64 1wtf s GLU 71 Cb 0.19 -0.18 -0.02 0.00 -1.78 0.00 0.00 34.13 32.34 1wtf s GLU 71 CO 0.46 0.00 1.19 -2.30 -0.49 0.00 0.00 175.26 174.12 1wtf n PRO 72 N 0.83 1.04 0.13 0.39 -0.02 -1.26 -4.76 135.00 131.35 1wtf n PRO 72 Ca -0.18 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1wtf n PRO 72 Cb 0.57 -2.42 0.12 0.00 -0.02 0.00 0.00 33.50 31.76 1wtf n PRO 72 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1wtf h PHE 73 N 0.51 0.00 -6.38 6.00 -1.00 -1.12 -3.48 116.94 111.47 1wtf h PHE 73 Ca -0.50 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 59.80 1wtf h PHE 73 Cb 1.35 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.88 1wtf h PHE 73 CO 0.40 0.00 -0.86 -0.25 -1.61 0.00 0.00 178.31 175.99 1wtf n ASP 74 N -2.63 -1.11 0.00 2.17 8.00 -1.20 -1.76 116.55 120.02 1wtf n ASP 74 Ca 0.02 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1wtf n ASP 74 Cb 0.51 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 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 -1.80 2.65 3.31 0.44 0.00 -0.06 -4.99 105.19 104.74 1wtf n GLY 75 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.81 5.64 0.22 1.61 3.68 -0.72 -4.94 116.67 118.34 1wtf s ASP 76 Ca 0.00 -1.28 0.20 0.00 2.13 0.00 0.00 52.55 53.61 1wtf s ASP 76 Cb 0.00 -1.99 0.90 0.00 -1.45 0.00 0.00 42.92 40.39 1wtf s ASP 76 CO 0.00 -0.46 1.62 -0.81 0.13 0.00 0.00 175.17 175.65 1wtf n PRO 77 N 4.94 0.14 -0.53 4.34 -0.04 -1.26 -1.93 135.00 140.66 1wtf n PRO 77 Ca -0.11 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 63.87 1wtf n PRO 77 Cb 0.44 -1.81 0.29 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.08 4.25 -0.33 3.54 4.13 -1.26 -4.65 115.26 118.86 1wtf n ASN 78 Ca 0.01 -2.85 0.13 0.00 1.68 0.00 0.00 54.58 53.55 1wtf n ASN 78 Cb 0.17 -0.54 0.34 0.00 -1.54 0.00 0.00 39.78 38.21 1wtf n ASN 78 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1wtf h LYS 79 N 2.47 0.73 -0.63 3.52 3.64 -1.70 -1.77 116.57 122.83 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 1.48 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1wtf h LYS 79 CO 0.26 0.48 0.00 1.19 -2.27 0.00 0.00 179.45 179.11 1wtf n PHE 80 N -4.66 1.78 0.40 1.91 3.01 -1.26 -5.17 117.46 113.47 1wtf n PHE 80 Ca 0.21 -0.66 0.05 0.00 1.01 0.00 0.00 57.45 58.06 1wtf n PHE 80 Cb 0.53 -0.37 0.04 0.00 -0.01 0.00 0.00 39.48 39.67 1wtf n PHE 80 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16