#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyx s LEU 2 N 0.00 2.05 -0.06 0.27 1.43 -1.26 -1.31 118.68 119.79 1wyx s LEU 2 Ca 0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1wyx s LEU 2 Cb 0.00 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1wyx s LEU 2 CO 0.00 0.21 0.07 0.20 0.23 0.00 0.00 176.35 177.06 1wyx s ASN 3 N -0.53 5.70 0.36 2.29 0.01 0.38 -4.85 114.94 118.30 1wyx s ASN 3 Ca 0.07 0.23 -0.28 0.00 -0.71 0.00 0.00 52.86 52.17 1wyx s ASN 3 Cb -0.07 -1.69 -0.12 0.00 0.41 0.00 0.00 41.25 39.79 1wyx s ASN 3 CO -0.00 0.35 1.33 0.52 -1.51 0.00 0.00 177.10 177.78 1wyx n VAL 4 N 1.73 2.10 -4.13 1.60 0.31 -1.26 -1.22 118.33 117.46 1wyx n VAL 4 Ca -0.17 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.33 1wyx n VAL 4 Cb 0.54 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 1wyx n VAL 4 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1wyx s LEU 5 N -1.36 3.85 0.03 7.52 1.43 -1.14 -0.59 118.68 128.42 1wyx s LEU 5 Ca 0.56 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1wyx s LEU 5 Cb -0.54 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1wyx s LEU 5 CO 0.62 0.28 -0.06 0.00 0.23 0.00 0.00 176.35 177.42 1wyx s ALA 6 N -1.16 0.44 -0.09 4.21 0.00 -0.20 -0.80 121.76 124.16 1wyx s ALA 6 Ca 0.22 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1wyx s ALA 6 Cb -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1wyx s ALA 6 CO 0.12 -0.05 -0.12 0.21 0.00 0.00 0.00 175.76 175.93 1wyx s LYS 7 N -1.46 2.99 0.06 0.00 2.20 0.17 -0.70 119.74 123.00 1wyx s LYS 7 Ca -0.11 -0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 1wyx s LYS 7 Cb -0.09 -2.56 -0.07 0.00 -1.51 0.00 0.00 37.83 33.60 1wyx s LYS 7 CO 0.00 0.44 1.43 0.00 -0.36 0.00 0.00 175.35 176.85 1wyx s ALA 8 N -0.22 3.60 -0.54 3.13 0.00 0.14 -0.99 121.76 126.88 1wyx s ALA 8 Ca 0.01 1.02 0.24 0.00 0.00 0.00 0.00 51.96 53.24 1wyx s ALA 8 Cb -0.13 -3.58 0.33 0.00 0.00 0.00 0.00 23.12 19.74 1wyx s ALA 8 CO 0.03 -0.80 1.36 -0.07 0.00 0.00 0.00 175.76 176.27 1wyx h LEU 9 N 7.70 0.00 -7.92 0.00 3.38 -1.19 0.23 115.31 117.51 1wyx h LEU 9 Ca -0.40 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 1wyx h LEU 9 Cb 1.19 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 1wyx h LEU 9 CO 0.89 0.06 -0.35 -0.31 0.09 0.00 0.00 178.44 178.81 1wyx s TYR 10 N -3.21 0.26 0.75 1.13 1.51 -1.25 -4.87 117.35 111.68 1wyx s TYR 10 Ca 0.05 -0.66 -0.13 0.00 -1.01 0.00 0.00 57.07 55.33 1wyx s TYR 10 Cb 0.11 -0.06 0.05 0.00 -0.11 0.00 0.00 41.96 41.95 1wyx s TYR 10 CO 0.71 -0.61 1.12 -0.51 -1.11 0.00 0.00 175.55 175.16 1wyx s ASP 11 N -2.90 4.39 -0.10 2.29 -0.00 -1.26 -3.14 116.67 115.95 1wyx s ASP 11 Ca 0.10 2.02 -0.04 0.00 -0.00 0.00 0.00 52.55 54.63 1wyx s ASP 11 Cb 0.04 -2.55 0.05 0.00 -0.00 0.00 0.00 42.92 40.47 1wyx s ASP 11 CO -0.07 -2.11 0.19 0.21 -0.00 0.00 0.00 175.17 173.39 1wyx s ASN 12 N -2.81 0.56 -0.37 0.27 2.47 0.29 -4.89 114.94 110.45 1wyx s ASN 12 Ca 0.66 0.41 -0.11 0.00 0.42 0.00 0.00 52.86 54.24 1wyx s ASN 12 Cb -0.21 0.39 0.03 0.00 -1.45 0.00 0.00 41.25 40.00 1wyx s ASN 12 CO 0.50 -0.24 0.21 -0.69 -3.72 0.00 0.00 177.10 173.16 1wyx s VAL 13 N 2.23 4.59 0.18 -5.21 1.01 -1.26 -1.28 120.40 120.65 1wyx s VAL 13 Ca 0.01 -0.85 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 1wyx s VAL 13 Cb -0.12 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.55 1wyx s VAL 13 CO -0.07 -0.24 1.41 0.00 0.00 0.00 0.00 175.10 176.21 1wyx n ALA 14 N 5.00 0.50 0.91 5.51 0.00 -1.26 -4.88 120.51 126.28 1wyx n ALA 14 Ca -0.12 0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.88 1wyx n ALA 14 Cb 0.46 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.74 1wyx n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wyx n GLU 15 N 2.50 0.06 -3.77 0.00 2.13 -1.26 -4.95 120.64 115.35 1wyx n GLU 15 Ca 0.15 -0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 1wyx n GLU 15 Cb 0.27 -1.52 -0.05 0.00 0.27 0.00 0.00 31.44 30.41 1wyx n GLU 15 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1wyx s SER 16 N -3.19 -0.11 0.63 4.31 1.04 -1.26 -5.05 113.70 110.05 1wyx s SER 16 Ca 0.08 -0.54 0.40 0.00 0.48 0.00 0.00 55.95 56.38 1wyx s SER 16 Cb 0.16 0.46 2.08 0.00 0.10 0.00 0.00 66.02 68.83 1wyx s SER 16 CO 0.79 -0.88 2.26 -0.65 0.98 0.00 0.00 173.24 175.73 1wyx h PRO 17 N 2.44 0.00 0.00 4.02 0.11 -2.03 -2.20 132.00 134.33 1wyx h PRO 17 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1wyx h PRO 17 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wyx h PRO 17 CO 0.47 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 1wyx n ASP 18 N -3.17 0.43 -4.88 -2.05 8.00 -1.26 -4.80 116.55 108.81 1wyx n ASP 18 Ca -0.02 0.57 -0.37 0.00 0.71 0.00 0.00 54.79 55.68 1wyx n ASP 18 Cb 0.14 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1wyx n ASP 18 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wyx s GLU 19 N -3.11 3.46 0.28 -1.24 2.12 -0.83 -0.52 118.70 118.86 1wyx s GLU 19 Ca 0.09 -0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.01 1wyx s GLU 19 Cb 0.13 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 1wyx s GLU 19 CO 0.47 0.76 0.99 -0.51 -0.54 0.00 0.00 175.26 176.43 1wyx s LEU 20 N -1.13 4.52 0.12 2.70 1.43 -0.63 -4.73 118.68 120.97 1wyx s LEU 20 Ca 0.17 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 1wyx s LEU 20 Cb -0.12 -3.74 -0.06 0.00 0.03 0.00 0.00 46.19 42.30 1wyx s LEU 20 CO 0.06 -0.02 0.47 -0.44 0.23 0.00 0.00 176.35 176.65 1wyx s SER 21 N -1.21 6.70 0.25 2.29 0.01 -1.26 -4.19 113.70 116.28 1wyx s SER 21 Ca 0.45 0.90 -0.20 0.00 1.31 0.00 0.00 55.95 58.41 1wyx s SER 21 Cb -0.26 -2.22 0.03 0.00 0.21 0.00 0.00 66.02 63.78 1wyx s SER 21 CO 0.32 0.12 0.66 0.72 0.41 0.00 0.00 173.24 175.48 1wyx s PHE 22 N -1.47 -0.21 0.16 2.43 -0.12 -0.41 -4.98 117.98 113.39 1wyx s PHE 22 Ca 0.36 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 57.13 1wyx s PHE 22 Cb -0.14 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1wyx s PHE 22 CO 0.19 -1.11 -0.05 1.03 -0.05 0.00 0.00 175.22 175.23 1wyx s ARG 23 N -3.89 2.25 0.12 1.99 0.52 -1.26 -0.55 118.95 118.13 1wyx s ARG 23 Ca 0.10 -1.12 -0.35 0.00 -0.52 0.00 0.00 55.73 53.83 1wyx s ARG 23 Cb -0.04 -2.30 -0.16 0.00 0.52 0.00 0.00 34.95 32.97 1wyx s ARG 23 CO 0.02 0.46 1.28 1.17 0.02 0.00 0.00 175.30 178.26 1wyx n LYS 24 N 0.13 1.19 0.00 3.54 4.81 -1.19 -1.27 118.16 125.37 1wyx n LYS 24 Ca -0.11 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1wyx n LYS 24 Cb 0.54 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1wyx n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wyx n GLY 25 N 2.36 2.49 3.77 3.14 0.00 0.07 -4.96 105.19 112.05 1wyx n GLY 25 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1wyx n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wyx s ASP 26 N -1.43 5.93 -0.18 1.61 -0.00 -0.40 -4.65 116.67 117.54 1wyx s ASP 26 Ca 0.00 2.84 -0.03 0.00 -0.00 0.00 0.00 52.55 55.36 1wyx s ASP 26 Cb 0.00 -2.65 -0.01 0.00 -0.00 0.00 0.00 42.92 40.26 1wyx s ASP 26 CO 0.00 -1.13 -0.06 -0.63 -0.00 0.00 0.00 175.17 173.35 1wyx s ILE 27 N -1.23 3.42 0.15 0.77 1.01 -1.26 -0.68 121.20 123.38 1wyx s ILE 27 Ca 0.61 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.82 1wyx s ILE 27 Cb -0.42 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1wyx s ILE 27 CO 0.54 0.46 -0.13 0.00 0.00 0.00 0.00 174.94 175.81 1wyx s MET 28 N 0.96 1.13 -0.05 2.79 0.23 0.12 -4.77 119.30 119.70 1wyx s MET 28 Ca -0.00 -1.42 -0.20 0.00 -1.03 0.00 0.00 55.69 53.03 1wyx s MET 28 Cb -0.15 -0.87 -0.05 0.00 -1.53 0.00 0.00 34.83 32.24 1wyx s MET 28 CO 0.00 0.14 0.58 0.99 -2.03 0.00 0.00 175.02 174.71 1wyx s THR 29 N -2.80 5.03 -0.44 3.16 2.01 -0.06 -1.03 115.64 121.50 1wyx s THR 29 Ca 0.16 1.20 -0.22 0.00 0.31 0.00 0.00 61.69 63.14 1wyx s THR 29 Cb -0.01 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.60 1wyx s THR 29 CO 0.03 0.35 0.70 -0.69 -0.69 0.00 0.00 174.62 174.33 1wyx s VAL 30 N 0.27 4.76 -0.03 3.82 1.01 0.24 -0.91 120.40 129.56 1wyx s VAL 30 Ca 0.31 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 1wyx s VAL 30 Cb -0.17 -4.25 -0.32 0.00 0.00 0.00 0.00 36.38 31.64 1wyx s VAL 30 CO 0.15 -0.63 0.84 -0.07 0.00 0.00 0.00 175.10 175.40 1wyx h LEU 31 N 9.86 0.61 -6.93 3.92 3.38 -1.10 -3.36 115.31 121.69 1wyx h LEU 31 Ca -0.25 -0.92 0.02 0.00 0.09 0.00 0.00 57.88 56.82 1wyx h LEU 31 Cb 1.09 -0.20 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 1wyx h LEU 31 CO 0.92 1.60 -0.22 -0.70 0.09 0.00 0.00 178.44 180.13 1wyx s GLU 32 N -2.52 0.50 0.41 1.13 2.12 -0.83 -4.99 118.70 114.51 1wyx s GLU 32 Ca -0.13 1.27 -0.24 0.00 0.36 0.00 0.00 54.97 56.22 1wyx s GLU 32 Cb 0.03 0.65 -0.08 0.00 0.26 0.00 0.00 34.13 34.99 1wyx s GLU 32 CO 0.86 -0.27 1.10 -0.65 -0.54 0.00 0.00 175.26 175.77 1wyx s GLN 33 N 2.81 4.07 -1.30 4.30 -0.21 -1.26 -0.57 119.66 127.49 1wyx s GLN 33 Ca -0.02 1.65 -0.08 0.00 0.02 0.00 0.00 55.36 56.93 1wyx s GLN 33 Cb -0.12 -2.56 -0.00 0.00 1.00 0.00 0.00 33.01 31.32 1wyx s GLN 33 CO -0.17 -0.26 0.59 -0.25 -2.12 0.00 0.00 175.29 173.08 1wyx n ASP 34 N -0.09 -2.23 -4.77 5.90 9.92 -0.84 -4.87 116.55 119.57 1wyx n ASP 34 Ca 0.05 -0.99 -0.40 0.00 -0.53 0.00 0.00 54.79 52.91 1wyx n ASP 34 Cb 0.48 -3.27 -0.02 0.00 -0.64 0.00 0.00 41.12 37.68 1wyx n ASP 34 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1wyx s THR 35 N -3.74 2.75 -1.48 -3.53 -1.32 -0.86 -3.90 115.64 103.56 1wyx s THR 35 Ca 0.18 0.73 -0.12 0.00 -1.21 0.00 0.00 61.69 61.27 1wyx s THR 35 Cb -0.07 -3.46 0.06 0.00 -1.51 0.00 0.00 72.50 67.53 1wyx s THR 35 CO 0.87 0.16 1.02 0.00 -2.21 0.00 0.00 174.62 174.46 1wyx n GLN 36 N 0.67 -6.08 -0.78 7.08 6.02 -1.26 -1.44 117.38 121.59 1wyx n GLN 36 Ca 0.01 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1wyx n GLN 36 Cb 0.42 -5.57 0.00 0.00 1.02 0.00 0.00 30.24 26.11 1wyx n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wyx n GLY 37 N -1.76 0.83 3.82 1.08 0.00 -1.25 -5.02 105.19 102.89 1wyx n GLY 37 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1wyx n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyx s LEU 38 N 0.00 4.18 -0.34 0.99 1.43 -0.52 -5.03 118.68 119.39 1wyx s LEU 38 Ca 0.00 1.55 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 1wyx s LEU 38 Cb 0.00 -4.03 0.04 0.00 0.03 0.00 0.00 46.19 42.23 1wyx s LEU 38 CO 0.00 -0.14 0.10 -0.62 0.23 0.00 0.00 176.35 175.92 1wyx s ASP 39 N -1.92 5.30 0.00 2.29 -1.08 -1.26 -4.25 116.67 115.76 1wyx s ASP 39 Ca 0.52 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 1wyx s ASP 39 Cb -0.14 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 1wyx s ASP 39 CO 0.19 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 176.16 1wyx n GLY 40 N 4.80 0.57 3.29 2.66 0.00 -1.26 -5.06 105.19 110.19 1wyx n GLY 40 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1wyx n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wyx s TRP 41 N -2.07 2.89 -0.12 1.61 0.52 -1.26 -1.09 118.94 119.42 1wyx s TRP 41 Ca 0.00 -1.00 -0.02 0.00 0.02 0.00 0.00 56.10 55.09 1wyx s TRP 41 Cb 0.00 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 1wyx s TRP 41 CO 0.00 -0.51 -0.03 -1.58 0.02 0.00 0.00 176.95 174.85 1wyx s TRP 42 N 1.16 3.05 -0.21 -1.98 0.52 0.12 -1.98 118.94 119.62 1wyx s TRP 42 Ca 0.01 -0.08 -0.27 0.00 0.02 0.00 0.00 56.10 55.79 1wyx s TRP 42 Cb -0.14 -1.86 -0.00 0.00 -1.15 0.00 0.00 33.47 30.31 1wyx s TRP 42 CO -0.03 0.19 0.94 -1.17 0.02 0.00 0.00 176.95 176.91 1wyx s LEU 43 N -0.24 4.12 0.22 2.99 2.96 0.27 -0.88 118.68 128.12 1wyx s LEU 43 Ca 0.05 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.26 1wyx s LEU 43 Cb -0.13 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1wyx s LEU 43 CO 0.02 -0.56 -0.01 0.00 -1.32 0.00 0.00 176.35 174.49 1wyx s SER 45 N -3.29 1.72 -0.13 0.00 0.15 -0.09 -1.72 113.70 110.35 1wyx s SER 45 Ca 0.27 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 1wyx s SER 45 Cb 0.05 -0.70 0.05 0.00 -1.71 0.00 0.00 66.02 63.71 1wyx s SER 45 CO 0.08 0.05 0.07 -0.22 1.20 0.00 0.00 173.24 174.42 1wyx s LEU 46 N 0.50 0.38 -1.61 3.45 2.96 0.46 -0.89 118.68 123.94 1wyx s LEU 46 Ca -0.11 -0.40 -0.15 0.00 -0.22 0.00 0.00 54.13 53.24 1wyx s LEU 46 Cb -0.14 -0.26 0.12 0.00 0.50 0.00 0.00 46.19 46.41 1wyx s LEU 46 CO 0.03 -0.31 0.86 1.41 -1.32 0.00 0.00 176.35 177.02 1wyx n HIS 47 N 5.25 -1.99 0.00 5.38 8.25 -1.26 -1.34 115.22 129.52 1wyx n HIS 47 Ca -0.06 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 1wyx n HIS 47 Cb 0.49 -3.46 0.00 0.00 1.12 0.00 0.00 29.99 28.14 1wyx n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wyx n GLY 48 N -1.56 1.66 3.89 -1.41 0.00 -1.26 -5.04 105.19 101.47 1wyx n GLY 48 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1wyx n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wyx s ARG 49 N -0.53 3.67 0.02 1.61 0.52 -0.45 -5.11 118.95 118.70 1wyx s ARG 49 Ca 0.00 0.02 0.07 0.00 -0.52 0.00 0.00 55.73 55.29 1wyx s ARG 49 Cb 0.00 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 1wyx s ARG 49 CO 0.00 0.45 -0.19 -1.14 0.02 0.00 0.00 175.30 174.44 1wyx s GLN 50 N -2.57 1.39 -0.09 3.54 0.74 -1.26 -0.40 119.66 121.00 1wyx s GLN 50 Ca 0.41 -0.83 -0.32 0.00 0.05 0.00 0.00 55.36 54.67 1wyx s GLN 50 Cb -0.12 -1.44 0.13 0.00 1.10 0.00 0.00 33.01 32.68 1wyx s GLN 50 CO 0.23 0.38 1.41 0.20 -0.55 0.00 0.00 175.29 176.96 1wyx s GLY 51 N -0.91 -0.39 0.39 2.59 0.00 -0.70 -4.80 107.32 103.50 1wyx s GLY 51 Ca 0.07 0.64 -0.12 0.00 0.00 0.00 0.00 44.72 45.30 1wyx s GLY 51 CO 0.01 2.92 0.78 -0.26 0.00 0.00 0.00 173.10 176.55 1wyx s ILE 52 N -2.01 4.73 -0.03 0.90 -4.36 0.32 -1.09 121.20 119.66 1wyx s ILE 52 Ca 0.22 0.77 -0.04 0.00 -0.26 0.00 0.00 60.65 61.34 1wyx s ILE 52 Cb 0.05 -3.70 0.01 0.00 1.25 0.00 0.00 42.46 40.07 1wyx s ILE 52 CO -0.05 -0.44 0.10 -0.69 0.24 0.00 0.00 174.94 174.10 1wyx s VAL 53 N -2.29 0.01 -0.07 8.37 1.01 -0.06 -1.60 120.40 125.78 1wyx s VAL 53 Ca 0.53 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1wyx s VAL 53 Cb -0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1wyx s VAL 53 CO 0.27 -0.05 1.59 -2.84 0.00 0.00 0.00 175.10 174.06 1wyx s PRO 54 N -0.13 4.19 0.42 2.72 0.02 -1.26 -0.70 135.00 140.25 1wyx s PRO 54 Ca -0.02 2.09 0.13 0.00 0.02 0.00 0.00 61.00 63.22 1wyx s PRO 54 Cb -0.02 -3.95 0.99 0.00 0.02 0.00 0.00 34.50 31.54 1wyx s PRO 54 CO 0.00 -0.82 1.98 0.78 -0.33 0.00 0.00 177.00 178.61 1wyx h GLY 55 N 10.15 0.62 1.22 0.52 0.00 -1.47 -1.51 103.07 112.60 1wyx h GLY 55 Ca -0.37 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1wyx h GLY 55 CO 0.96 0.12 0.00 1.16 0.00 0.00 0.00 176.54 178.78 1wyx n ASN 56 N -4.47 0.00 -1.01 0.19 2.04 -1.26 -1.85 115.26 108.89 1wyx n ASN 56 Ca 0.09 -0.42 0.11 0.00 -0.44 0.00 0.00 54.58 53.92 1wyx n ASN 56 Cb 0.34 -0.11 0.27 0.00 -2.53 0.00 0.00 39.78 37.74 1wyx n ASN 56 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1wyx n ARG 57 N -1.11 2.30 -4.45 -3.83 1.74 -0.57 -4.96 116.66 105.78 1wyx n ARG 57 Ca 0.14 -1.98 -0.25 0.00 -0.77 0.00 0.00 57.85 54.99 1wyx n ARG 57 Cb 0.11 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 1wyx n ARG 57 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wyx s LEU 58 N -1.33 2.58 0.02 0.55 1.43 -0.77 -0.61 118.68 120.54 1wyx s LEU 58 Ca 0.38 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1wyx s LEU 58 Cb 0.21 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 1wyx s LEU 58 CO 0.29 0.06 -0.21 -1.59 0.23 0.00 0.00 176.35 175.12 1wyx s LYS 59 N -3.34 1.56 0.22 1.70 -2.85 -0.16 -4.85 119.74 112.02 1wyx s LYS 59 Ca 0.28 -0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 54.06 1wyx s LYS 59 Cb -0.06 -1.61 -0.09 0.00 -2.06 0.00 0.00 37.83 34.01 1wyx s LYS 59 CO 0.14 0.42 1.39 0.42 0.10 0.00 0.00 175.35 177.83 1wyx s ILE 60 N -0.68 2.89 -0.62 3.79 1.01 -1.26 -0.65 121.20 125.66 1wyx s ILE 60 Ca 0.08 0.73 -0.23 0.00 0.00 0.00 0.00 60.65 61.23 1wyx s ILE 60 Cb -0.09 -3.47 0.06 0.00 0.01 0.00 0.00 42.46 38.98 1wyx s ILE 60 CO 0.01 0.11 0.95 -0.76 0.00 0.00 0.00 174.94 175.25 1wyx s LEU 61 N -0.18 4.28 0.14 2.97 1.43 0.02 -4.86 118.68 122.49 1wyx s LEU 61 Ca 0.59 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 1wyx s LEU 61 Cb -0.40 -2.54 -0.10 0.00 0.03 0.00 0.00 46.19 43.19 1wyx s LEU 61 CO 0.40 -1.37 1.60 -0.69 0.23 0.00 0.00 176.35 176.52 1wyx s VAL 62 N 4.03 2.74 0.00 -1.59 1.01 -1.26 -2.01 120.40 123.32 1wyx s VAL 62 Ca 0.25 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1wyx s VAL 62 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1wyx s VAL 62 CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1wyx n GLY 63 N 3.84 1.78 3.49 4.51 0.00 -1.26 -5.03 105.19 112.53 1wyx n GLY 63 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1wyx n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wyx s MET 64 N -0.26 3.40 0.04 1.61 1.00 -0.85 -5.10 119.30 119.14 1wyx s MET 64 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 55.69 55.13 1wyx s MET 64 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 34.83 32.01 1wyx s MET 64 CO 0.00 0.34 -0.03 0.71 0.00 0.00 0.00 175.02 176.04 1wyx s TYR 65 N 0.07 0.45 -0.08 -0.03 2.02 -1.26 -2.90 117.35 115.62 1wyx s TYR 65 Ca -0.02 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 55.83 1wyx s TYR 65 Cb -0.14 -0.33 -0.01 0.00 -0.40 0.00 0.00 41.96 41.08 1wyx s TYR 65 CO 0.03 -0.31 -0.19 0.34 -1.57 0.00 0.00 175.55 173.86 1wyx s ASP 66 N -2.45 3.60 0.33 2.29 2.15 -0.36 -4.94 116.67 117.28 1wyx s ASP 66 Ca -0.00 -0.39 -0.29 0.00 0.43 0.00 0.00 52.55 52.30 1wyx s ASP 66 Cb 0.02 -1.16 -0.11 0.00 -0.30 0.00 0.00 42.92 41.37 1wyx s ASP 66 CO -0.07 0.23 1.53 -0.54 -0.17 0.00 0.00 175.17 176.15 1wyx s LYS 67 N -0.07 4.13 0.56 4.34 1.02 -1.26 -0.47 119.74 128.00 1wyx s LYS 67 Ca -0.04 2.54 0.27 0.00 0.02 0.00 0.00 55.97 58.76 1wyx s LYS 67 Cb -0.14 -3.01 1.52 0.00 -0.52 0.00 0.00 37.83 35.68 1wyx s LYS 67 CO 0.04 -0.56 2.04 0.87 -0.92 0.00 0.00 175.35 176.82 1wyx h LYS 68 N 4.02 0.00 0.00 1.68 1.57 -1.53 -3.45 116.57 118.87 1wyx h LYS 68 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1wyx h LYS 68 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1wyx h LYS 68 CO 0.72 0.00 0.00 -0.35 -0.57 0.00 0.00 179.45 179.25