#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxt n SER 2 N 0.00 -3.93 -4.69 1.61 7.64 -1.26 -4.96 113.62 108.03 1wxt n SER 2 Ca 0.00 -0.80 -0.35 0.00 1.01 0.00 0.00 58.87 58.73 1wxt n SER 2 Cb 0.00 -3.84 -0.09 0.00 -1.01 0.00 0.00 64.21 59.27 1wxt n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxt s SER 3 N -3.54 5.53 0.48 6.43 0.15 -1.26 -4.86 113.70 116.63 1wxt s SER 3 Ca 0.52 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1wxt s SER 3 Cb -0.26 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1wxt s SER 3 CO 0.83 0.32 0.00 0.61 1.20 0.00 0.00 173.24 176.20 1wxt n GLY 4 N 2.58 0.60 3.23 9.45 0.00 -1.26 -4.28 105.19 115.51 1wxt n GLY 4 Ca -0.18 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.61 1wxt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wxt n SER 5 N 4.90 5.47 -4.70 1.61 7.64 -1.26 -5.02 113.62 122.25 1wxt n SER 5 Ca 0.00 -3.09 -0.30 0.00 1.01 0.00 0.00 58.87 56.49 1wxt n SER 5 Cb 0.00 -1.45 0.15 0.00 -1.01 0.00 0.00 64.21 61.89 1wxt n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxt s SER 6 N 1.28 3.30 0.00 6.43 0.15 -1.26 -4.89 113.70 118.71 1wxt s SER 6 Ca 0.37 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1wxt s SER 6 Cb -0.01 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1wxt s SER 6 CO -0.00 -2.75 0.00 0.61 1.20 0.00 0.00 173.24 172.30 1wxt n GLY 7 N -0.98 0.37 3.19 9.45 0.00 -1.26 -5.09 105.19 110.86 1wxt n GLY 7 Ca 0.07 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1wxt n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wxt s LEU 8 N 0.00 1.03 -0.05 0.99 0.20 -1.26 -5.05 118.68 114.55 1wxt s LEU 8 Ca 0.00 0.18 0.02 0.00 0.69 0.00 0.00 54.13 55.02 1wxt s LEU 8 Cb 0.00 1.04 0.01 0.00 -0.43 0.00 0.00 46.19 46.81 1wxt s LEU 8 CO 0.00 -0.32 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.11 1wxt s LYS 9 N -0.87 1.28 0.22 1.98 -0.14 -1.26 -2.01 119.74 118.95 1wxt s LYS 9 Ca -0.09 -0.32 0.05 0.00 -1.36 0.00 0.00 55.97 54.25 1wxt s LYS 9 Cb -0.05 -1.13 -0.05 0.00 -1.68 0.00 0.00 37.83 34.92 1wxt s LYS 9 CO 0.02 0.04 -0.05 -1.64 -0.76 0.00 0.00 175.35 172.96 1wxt s MET 10 N 0.56 1.33 -0.10 1.68 -1.94 -0.88 -4.37 119.30 115.57 1wxt s MET 10 Ca -0.10 -1.65 0.02 0.00 -1.71 0.00 0.00 55.69 52.26 1wxt s MET 10 Cb -0.13 -0.79 -0.01 0.00 2.01 0.00 0.00 34.83 35.91 1wxt s MET 10 CO 0.02 -0.00 -0.18 1.14 -0.01 0.00 0.00 175.02 175.99 1wxt s GLN 11 N -3.79 3.03 0.43 2.03 -2.07 -1.20 -2.51 119.66 115.58 1wxt s GLN 11 Ca 0.26 -0.76 -0.22 0.00 -1.82 0.00 0.00 55.36 52.81 1wxt s GLN 11 Cb 0.04 -2.44 -0.09 0.00 -1.09 0.00 0.00 33.01 29.42 1wxt s GLN 11 CO 0.08 0.30 1.01 0.08 -1.32 0.00 0.00 175.29 175.44 1wxt s VAL 12 N 0.08 3.95 0.00 3.63 1.01 -0.92 -2.42 120.40 125.73 1wxt s VAL 12 Ca -0.08 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1wxt s VAL 12 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1wxt s VAL 12 CO 0.05 -0.13 0.00 0.18 0.00 0.00 0.00 175.10 175.20 1wxt n LEU 13 N -0.43 0.00 -3.95 3.92 4.32 -0.76 -1.09 117.00 119.02 1wxt n LEU 13 Ca 0.07 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.78 1wxt n LEU 13 Cb 0.52 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.15 1wxt n LEU 13 CO 0.41 0.00 -0.46 -0.31 -1.22 0.00 0.00 177.39 175.82 1wxt s TYR 14 N -1.59 1.74 0.18 -1.77 1.51 -1.26 -4.74 117.35 111.42 1wxt s TYR 14 Ca 0.00 -0.91 -0.32 0.00 -1.01 0.00 0.00 57.07 54.83 1wxt s TYR 14 Cb 0.00 -1.36 -0.10 0.00 -0.11 0.00 0.00 41.96 40.38 1wxt s TYR 14 CO 0.00 -0.57 1.59 -2.00 -1.11 0.00 0.00 175.55 173.46 1wxt s GLU 15 N 1.60 4.20 -0.11 -0.62 2.12 -1.26 -4.68 118.70 119.95 1wxt s GLU 15 Ca 0.05 2.41 0.02 0.00 0.36 0.00 0.00 54.97 57.81 1wxt s GLU 15 Cb -0.13 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.14 1wxt s GLU 15 CO -0.09 -0.62 -0.18 0.12 -0.54 0.00 0.00 175.26 173.95 1wxt s PHE 16 N 1.05 2.17 -0.39 5.30 5.36 -1.03 -5.00 117.98 125.45 1wxt s PHE 16 Ca 0.70 -0.98 -0.21 0.00 -0.96 0.00 0.00 56.93 55.48 1wxt s PHE 16 Cb -0.45 -1.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.73 1wxt s PHE 16 CO 0.32 -0.46 0.65 -1.21 -1.46 0.00 0.00 175.22 173.07 1wxt s GLU 17 N 0.75 3.54 -0.03 10.12 2.02 -1.26 -2.90 118.70 130.94 1wxt s GLU 17 Ca -0.11 -0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1wxt s GLU 17 Cb -0.16 -3.86 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 1wxt s GLU 17 CO 0.02 -0.85 1.42 0.00 0.02 0.00 0.00 175.26 175.86 1wxt s ALA 18 N 2.80 3.59 -0.48 5.21 0.00 -1.26 -4.89 121.76 126.73 1wxt s ALA 18 Ca 0.25 0.84 0.14 0.00 0.00 0.00 0.00 51.96 53.19 1wxt s ALA 18 Cb -0.14 -3.62 0.45 0.00 0.00 0.00 0.00 23.12 19.81 1wxt s ALA 18 CO 0.17 -1.01 1.36 0.54 0.00 0.00 0.00 175.76 176.82 1wxt n ARG 19 N 5.74 2.94 -4.08 0.00 1.74 -1.26 -4.89 116.66 116.85 1wxt n ARG 19 Ca 0.14 -2.53 -0.11 0.00 -0.77 0.00 0.00 57.85 54.57 1wxt n ARG 19 Cb 0.44 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1wxt s ASN 20 N -1.54 0.82 0.50 0.55 -0.87 -1.26 -5.04 114.94 108.10 1wxt s ASN 20 Ca 0.35 -0.69 0.29 0.00 -1.57 0.00 0.00 52.86 51.23 1wxt s ASN 20 Cb 0.25 0.07 1.22 0.00 -0.02 0.00 0.00 41.25 42.78 1wxt s ASN 20 CO 0.12 -0.31 1.94 1.55 -2.57 0.00 0.00 177.10 177.82 1wxt h PRO 21 N 4.02 0.00 0.00 -0.60 0.13 -2.04 -2.55 132.00 130.97 1wxt h PRO 21 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1wxt h PRO 21 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wxt h PRO 21 CO 0.49 0.11 -0.57 2.89 -0.23 0.00 0.00 178.00 180.69 1wxt n ARG 22 N -3.28 0.18 -2.65 0.86 1.85 -1.26 -4.90 116.66 107.46 1wxt n ARG 22 Ca -0.00 0.05 -0.21 0.00 -1.00 0.00 0.00 57.85 56.69 1wxt n ARG 22 Cb 0.34 -1.61 0.05 0.00 -1.05 0.00 0.00 32.46 30.19 1wxt n ARG 22 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1wxt s GLU 23 N -3.11 2.39 -0.03 2.89 2.02 -0.96 -3.13 118.70 118.77 1wxt s GLU 23 Ca 0.08 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1wxt s GLU 23 Cb 0.15 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.93 1wxt s GLU 23 CO 0.71 -0.84 -0.01 -1.17 0.02 0.00 0.00 175.26 173.97 1wxt s LEU 24 N -4.82 1.25 0.38 1.80 2.96 -1.26 -4.71 118.68 114.28 1wxt s LEU 24 Ca 0.59 -0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 54.20 1wxt s LEU 24 Cb -0.09 -0.24 -0.09 0.00 0.50 0.00 0.00 46.19 46.27 1wxt s LEU 24 CO 0.39 -0.08 1.14 -0.89 -1.32 0.00 0.00 176.35 175.59 1wxt s THR 25 N 0.92 3.31 0.06 3.68 2.01 -1.26 -4.62 115.64 119.73 1wxt s THR 25 Ca -0.10 1.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.93 1wxt s THR 25 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1wxt s THR 25 CO -0.01 0.11 0.19 0.68 -0.69 0.00 0.00 174.62 174.90 1wxt s VAL 26 N -1.42 0.12 0.15 3.82 -7.23 -1.14 -4.99 120.40 109.71 1wxt s VAL 26 Ca 0.55 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.77 1wxt s VAL 26 Cb -0.29 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 1wxt s VAL 26 CO 0.37 -0.57 -0.17 0.68 -0.31 0.00 0.00 175.10 175.11 1wxt s VAL 27 N -3.11 1.66 0.38 1.32 -7.23 -1.26 -2.48 120.40 109.69 1wxt s VAL 27 Ca -0.01 -1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 58.03 1wxt s VAL 27 Cb 0.01 -1.76 -0.11 0.00 0.56 0.00 0.00 36.38 35.08 1wxt s VAL 27 CO -0.07 -0.36 1.16 1.67 -0.31 0.00 0.00 175.10 177.19 1wxt n GLN 28 N 0.33 1.72 0.00 4.82 7.27 -1.26 -1.79 117.38 128.47 1wxt n GLN 28 Ca -0.14 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1wxt n GLN 28 Cb 0.57 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 31.04 1wxt n GLN 28 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wxt n GLY 29 N 0.97 2.28 3.48 1.69 0.00 -0.25 -4.95 105.19 108.40 1wxt n GLY 29 Ca 0.07 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1wxt n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wxt n GLU 30 N 0.00 0.55 -4.09 1.61 4.07 -0.74 -4.54 120.64 117.51 1wxt n GLU 30 Ca 0.00 0.21 -0.35 0.00 -0.06 0.00 0.00 57.16 56.97 1wxt n GLU 30 Cb 0.00 -1.71 -0.14 0.00 -0.06 0.00 0.00 31.44 29.54 1wxt n GLU 30 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1wxt s LYS 31 N -2.06 3.45 0.44 5.31 1.02 -1.26 -2.17 119.74 124.47 1wxt s LYS 31 Ca 0.68 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 56.12 1wxt s LYS 31 Cb -0.46 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1wxt s LYS 31 CO 0.54 -0.07 0.01 -0.51 -0.92 0.00 0.00 175.35 174.40 1wxt s LEU 32 N 1.16 2.63 -0.22 3.17 1.43 -1.05 -4.74 118.68 121.06 1wxt s LEU 32 Ca 0.02 -1.48 0.02 0.00 -1.03 0.00 0.00 54.13 51.66 1wxt s LEU 32 Cb -0.14 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.31 1wxt s LEU 32 CO -0.01 -0.61 -0.14 -0.70 0.23 0.00 0.00 176.35 175.13 1wxt s GLU 33 N -3.78 2.41 0.12 1.70 2.12 -1.14 -2.08 118.70 118.06 1wxt s GLU 33 Ca 0.24 -1.06 -0.31 0.00 0.36 0.00 0.00 54.97 54.20 1wxt s GLU 33 Cb 0.07 -2.67 -0.08 0.00 0.26 0.00 0.00 34.13 31.71 1wxt s GLU 33 CO 0.12 -0.42 1.37 0.08 -0.54 0.00 0.00 175.26 175.87 1wxt s VAL 34 N 1.24 3.35 -0.07 3.70 1.01 -0.85 -2.38 120.40 126.40 1wxt s VAL 34 Ca -0.03 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 1wxt s VAL 34 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1wxt s VAL 34 CO -0.08 0.08 -0.20 0.18 0.00 0.00 0.00 175.10 175.07 1wxt n LEU 35 N 3.85 1.57 -3.93 3.92 4.77 0.53 -4.01 117.00 123.69 1wxt n LEU 35 Ca 0.11 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 56.03 1wxt n LEU 35 Cb 0.43 -0.57 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 1wxt n LEU 35 CO 0.58 -0.42 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.32 1wxt s ASP 36 N -5.98 4.42 -0.97 -1.43 -1.08 -1.21 -5.01 116.67 105.42 1wxt s ASP 36 Ca -0.17 -2.38 -0.01 0.00 -0.52 0.00 0.00 52.55 49.46 1wxt s ASP 36 Cb 0.03 -1.46 0.30 0.00 -1.46 0.00 0.00 42.92 40.32 1wxt s ASP 36 CO 0.25 -0.33 1.32 0.00 0.52 0.00 0.00 175.17 176.93 1wxt n HIS 37 N 3.93 2.60 0.06 -5.34 1.44 -1.26 -2.76 115.22 113.88 1wxt n HIS 37 Ca 0.04 -2.96 0.00 0.00 -2.01 0.00 0.00 57.72 52.79 1wxt n HIS 37 Cb 0.38 -1.08 0.00 0.00 0.12 0.00 0.00 29.99 29.42 1wxt n HIS 37 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1wxt n SER 38 N 1.13 0.81 -4.52 4.39 7.64 -1.26 -5.08 113.62 116.73 1wxt n SER 38 Ca 0.28 0.17 -0.29 0.00 1.01 0.00 0.00 58.87 60.04 1wxt n SER 38 Cb 0.35 -0.20 0.21 0.00 -1.01 0.00 0.00 64.21 63.56 1wxt n SER 38 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wxt s LYS 39 N -1.87 -0.27 0.19 1.43 1.02 -1.26 -4.91 119.74 114.06 1wxt s LYS 39 Ca 0.00 0.51 -0.23 0.00 0.02 0.00 0.00 55.97 56.26 1wxt s LYS 39 Cb 0.00 -1.66 0.09 0.00 -0.52 0.00 0.00 37.83 35.74 1wxt s LYS 39 CO 0.00 -3.20 1.56 0.00 -0.92 0.00 0.00 175.35 172.79 1wxt h ARG 40 N -2.23 -0.14 -6.21 1.68 2.47 -1.98 -3.38 114.38 104.59 1wxt h ARG 40 Ca -0.56 0.01 -0.58 0.00 -1.26 0.00 0.00 59.98 57.59 1wxt h ARG 40 Cb 1.33 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.64 1wxt h ARG 40 CO 0.53 -0.09 -0.05 -1.58 0.56 0.00 0.00 179.97 179.34 1wxt s TRP 41 N -5.86 3.79 0.17 3.04 0.52 -1.26 -4.39 118.94 114.96 1wxt s TRP 41 Ca -0.14 1.25 -0.02 0.00 0.02 0.00 0.00 56.10 57.21 1wxt s TRP 41 Cb 0.15 -2.49 -0.05 0.00 -1.15 0.00 0.00 33.47 29.94 1wxt s TRP 41 CO 0.67 0.58 0.37 -1.58 0.02 0.00 0.00 176.95 177.01 1wxt s TRP 42 N -1.05 3.48 -0.29 -1.98 0.52 0.06 -4.71 118.94 114.97 1wxt s TRP 42 Ca 0.29 0.39 -0.06 0.00 0.02 0.00 0.00 56.10 56.74 1wxt s TRP 42 Cb -0.19 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.25 1wxt s TRP 42 CO 0.18 0.42 0.07 -1.17 0.02 0.00 0.00 176.95 176.47 1wxt s LEU 43 N -3.04 3.81 0.39 2.99 2.96 -1.11 -0.31 118.68 124.37 1wxt s LEU 43 Ca 0.39 -0.76 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1wxt s LEU 43 Cb -0.12 -1.86 -0.08 0.00 0.50 0.00 0.00 46.19 44.64 1wxt s LEU 43 CO 0.28 -0.20 -0.01 0.68 -1.32 0.00 0.00 176.35 175.78 1wxt s VAL 44 N 1.47 2.06 -0.02 1.68 -7.23 -0.87 -0.35 120.40 117.15 1wxt s VAL 44 Ca 0.02 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1wxt s VAL 44 Cb -0.17 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.85 1wxt s VAL 44 CO 0.02 -0.05 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.93 1wxt s LYS 45 N -3.69 0.74 0.74 4.82 2.20 -1.00 -1.07 119.74 122.48 1wxt s LYS 45 Ca 0.34 -0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 55.64 1wxt s LYS 45 Cb 0.08 -0.71 0.11 0.00 -1.51 0.00 0.00 37.83 35.80 1wxt s LYS 45 CO 0.18 0.13 1.03 0.54 -0.36 0.00 0.00 175.35 176.87 1wxt s ASN 46 N 0.04 4.38 0.30 1.43 2.20 -0.75 -2.86 114.94 119.68 1wxt s ASN 46 Ca -0.00 0.04 -0.02 0.00 -0.94 0.00 0.00 52.86 51.94 1wxt s ASN 46 Cb -0.06 -0.50 0.45 0.00 -2.00 0.00 0.00 41.25 39.14 1wxt s ASN 46 CO -0.00 -1.85 1.96 -0.33 -2.94 0.00 0.00 177.10 173.94 1wxt h GLU 47 N -0.68 1.05 -0.91 3.55 5.08 -1.90 -2.33 114.58 118.44 1wxt h GLU 47 Ca -0.41 -0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.05 1wxt h GLU 47 Cb 1.28 -0.23 -0.10 0.00 0.50 0.00 0.00 28.75 30.20 1wxt h GLU 47 CO 0.47 0.71 0.49 0.00 -1.00 0.00 0.00 179.01 179.68 1wxt h ALA 48 N 1.48 1.43 0.00 3.43 0.00 -2.01 -3.45 119.26 120.14 1wxt h ALA 48 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1wxt h ALA 48 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wxt h ALA 48 CO -0.06 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1wxt n GLY 49 N -1.33 1.61 3.61 0.00 0.00 -0.88 -5.12 105.19 103.09 1wxt n GLY 49 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1wxt n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxt s ARG 50 N 0.00 3.63 -0.13 1.61 0.52 -1.26 -4.92 118.95 118.40 1wxt s ARG 50 Ca 0.00 -0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1wxt s ARG 50 Cb 0.00 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 1wxt s ARG 50 CO 0.00 0.39 -0.01 -1.54 0.02 0.00 0.00 175.30 174.16 1wxt s SER 51 N 0.01 5.07 0.12 0.23 1.04 -1.26 -1.80 113.70 117.10 1wxt s SER 51 Ca 0.04 -0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 1wxt s SER 51 Cb -0.13 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 1wxt s SER 51 CO 0.02 0.24 0.04 -0.83 0.98 0.00 0.00 173.24 173.69 1wxt s GLY 52 N -0.08 0.88 -0.12 7.32 0.00 -0.23 -4.79 107.32 110.30 1wxt s GLY 52 Ca 0.03 -1.41 -0.22 0.00 0.00 0.00 0.00 44.72 43.13 1wxt s GLY 52 CO 0.02 -1.35 0.63 -0.19 0.00 0.00 0.00 173.10 172.22 1wxt s TYR 53 N -4.02 3.50 0.03 1.90 2.02 -1.18 -2.04 117.35 117.56 1wxt s TYR 53 Ca 0.21 1.08 0.01 0.00 -0.37 0.00 0.00 57.07 58.00 1wxt s TYR 53 Cb 0.07 -2.75 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 1wxt s TYR 53 CO -0.01 0.03 -0.06 0.96 -1.57 0.00 0.00 175.55 174.90 1wxt s ILE 54 N 1.10 0.37 0.04 2.71 -4.36 0.58 -4.29 121.20 117.35 1wxt s ILE 54 Ca 0.32 -1.04 -0.30 0.00 -0.26 0.00 0.00 60.65 59.37 1wxt s ILE 54 Cb -0.17 -0.50 -0.06 0.00 1.25 0.00 0.00 42.46 42.98 1wxt s ILE 54 CO 0.14 -0.44 1.42 -2.16 0.24 0.00 0.00 174.94 174.14 1wxt s PRO 55 N -1.60 4.29 0.09 0.37 0.04 -1.26 -0.76 135.00 136.16 1wxt s PRO 55 Ca -0.12 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.01 1wxt s PRO 55 Cb -0.10 -3.50 0.32 0.00 0.04 0.00 0.00 34.50 31.27 1wxt s PRO 55 CO -0.00 -0.55 1.17 0.45 0.04 0.00 0.00 177.00 178.11 1wxt n SER 56 N 5.03 0.15 -0.04 6.66 2.88 -1.26 -1.53 113.62 125.51 1wxt n SER 56 Ca 0.13 0.56 -0.03 0.00 -1.33 0.00 0.00 58.87 58.21 1wxt n SER 56 Cb 0.43 -0.58 0.21 0.00 -0.75 0.00 0.00 64.21 63.52 1wxt n SER 56 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1wxt h ASN 57 N 0.00 0.60 -0.23 -3.46 2.35 -1.93 -2.01 115.58 110.90 1wxt h ASN 57 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1wxt h ASN 57 Cb 0.02 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1wxt h ASN 57 CO 0.00 0.72 0.00 2.30 -1.65 0.00 0.00 177.43 178.80 1wxt n ILE 58 N -4.21 0.89 -4.44 2.81 -5.35 -0.58 -4.86 119.36 103.62 1wxt n ILE 58 Ca 0.01 -0.49 -0.25 0.00 -0.27 0.00 0.00 62.75 61.75 1wxt n ILE 58 Cb 0.31 -0.27 -0.11 0.00 -1.74 0.00 0.00 39.64 37.83 1wxt n ILE 58 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wxt s LEU 59 N -1.03 2.52 0.12 7.28 1.43 -0.76 -1.83 118.68 126.41 1wxt s LEU 59 Ca 0.20 -0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 1wxt s LEU 59 Cb 0.14 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1wxt s LEU 59 CO 0.08 0.06 0.30 -1.61 0.23 0.00 0.00 176.35 175.41 1wxt s GLU 60 N -3.15 1.00 -0.76 1.70 0.41 -1.01 -4.92 118.70 111.96 1wxt s GLU 60 Ca 0.26 -0.89 -0.25 0.00 -0.41 0.00 0.00 54.97 53.67 1wxt s GLU 60 Cb -0.06 0.40 -0.03 0.00 -1.78 0.00 0.00 34.13 32.66 1wxt s GLU 60 CO 0.12 -0.36 1.91 -1.25 -0.49 0.00 0.00 175.26 175.19 1wxt s PRO 61 N -3.86 2.59 -0.29 0.39 0.04 -1.26 -3.24 135.00 129.37 1wxt s PRO 61 Ca 0.06 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.95 1wxt s PRO 61 Cb 0.03 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.84 1wxt s PRO 61 CO -0.09 -3.07 1.21 -1.17 0.04 0.00 0.00 177.00 173.92 1wxt s LEU 62 N 9.62 3.95 0.04 -3.56 2.96 -1.26 -4.97 118.68 125.45 1wxt s LEU 62 Ca 0.69 1.23 -0.28 0.00 -0.22 0.00 0.00 54.13 55.55 1wxt s LEU 62 Cb -0.10 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.15 1wxt s LEU 62 CO 0.10 -0.96 0.90 -0.55 -1.32 0.00 0.00 176.35 174.51 1wxt s SER 63 N 2.26 -0.33 -0.05 3.68 0.15 -1.26 -4.92 113.70 113.23 1wxt s SER 63 Ca 0.52 -0.10 -0.29 0.00 0.70 0.00 0.00 55.95 56.78 1wxt s SER 63 Cb -0.16 0.42 0.09 0.00 -1.71 0.00 0.00 66.02 64.66 1wxt s SER 63 CO 0.19 -0.70 0.78 -0.83 1.20 0.00 0.00 173.24 173.87 1wxt s GLY 64 N -2.61 -0.49 0.47 9.45 0.00 -1.26 -5.03 107.32 107.85 1wxt s GLY 64 Ca 0.07 1.36 0.26 0.00 0.00 0.00 0.00 44.72 46.41 1wxt s GLY 64 CO -0.06 0.80 1.90 -0.56 0.00 0.00 0.00 173.10 175.17 1wxt h PRO 65 N 2.63 0.00 -4.37 2.90 0.13 -2.05 -3.45 132.00 127.79 1wxt h PRO 65 Ca -0.25 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.69 1wxt h PRO 65 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1wxt h PRO 65 CO 0.36 0.19 -0.70 -1.54 -0.23 0.00 0.00 178.00 176.08 1wxt s SER 66 N -6.14 0.69 0.30 1.44 1.04 -1.26 -5.14 113.70 104.63 1wxt s SER 66 Ca -0.00 -0.80 -0.28 0.00 0.48 0.00 0.00 55.95 55.34 1wxt s SER 66 Cb 0.11 0.12 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 1wxt s SER 66 CO 0.62 -0.42 1.06 -0.94 0.98 0.00 0.00 173.24 174.54 1wxt s SER 67 N -2.36 7.21 0.00 7.02 1.04 -1.26 -5.16 113.70 120.19 1wxt s SER 67 Ca -0.00 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1wxt s SER 67 Cb -0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1wxt s SER 67 CO -0.04 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.61