#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxt s SER 2 N 0.00 6.96 -0.48 1.61 1.04 -1.26 -4.94 113.70 116.63 1wxt s SER 2 Ca 0.00 1.19 -0.02 0.00 0.48 0.00 0.00 55.95 57.60 1wxt s SER 2 Cb 0.00 -2.48 0.24 0.00 0.10 0.00 0.00 66.02 63.88 1wxt s SER 2 CO 0.00 -0.53 2.22 -1.20 0.98 0.00 0.00 173.24 174.71 1wxt n SER 3 N 5.87 6.85 -3.12 7.02 7.64 -1.26 -4.90 113.62 131.72 1wxt n SER 3 Ca 0.07 -3.34 -0.11 0.00 1.01 0.00 0.00 58.87 56.51 1wxt n SER 3 Cb 0.47 -1.09 -0.01 0.00 -1.01 0.00 0.00 64.21 62.58 1wxt n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wxt s GLY 4 N -0.34 0.81 -0.41 0.23 0.00 -1.26 -5.13 107.32 101.21 1wxt s GLY 4 Ca 0.48 -1.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 1wxt s GLY 4 CO -0.10 -0.59 0.29 -1.35 0.00 0.00 0.00 173.10 171.35 1wxt s SER 5 N -3.13 6.03 0.05 1.64 1.04 -1.26 -5.06 113.70 113.02 1wxt s SER 5 Ca 0.21 -0.98 -0.31 0.00 0.48 0.00 0.00 55.95 55.35 1wxt s SER 5 Cb -0.03 -2.13 -0.06 0.00 0.10 0.00 0.00 66.02 63.90 1wxt s SER 5 CO 0.15 -0.46 1.22 -0.44 0.98 0.00 0.00 173.24 174.68 1wxt s SER 6 N 1.77 7.05 -0.01 7.02 0.01 -1.26 -5.03 113.70 123.26 1wxt s SER 6 Ca 0.04 2.03 0.04 0.00 1.31 0.00 0.00 55.95 59.37 1wxt s SER 6 Cb -0.20 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 1wxt s SER 6 CO 0.09 -0.50 -0.13 -0.83 0.41 0.00 0.00 173.24 172.28 1wxt s GLY 7 N 1.12 1.62 0.16 3.44 0.00 -1.26 -5.10 107.32 107.31 1wxt s GLY 7 Ca 0.59 -1.05 -0.30 0.00 0.00 0.00 0.00 44.72 43.96 1wxt s GLY 7 CO 0.29 -0.89 1.26 -2.27 0.00 0.00 0.00 173.10 171.48 1wxt s LEU 8 N -1.16 4.42 -0.15 0.66 2.96 -1.26 -4.94 118.68 119.21 1wxt s LEU 8 Ca 0.14 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1wxt s LEU 8 Cb -0.11 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1wxt s LEU 8 CO 0.04 -0.47 -0.15 -0.54 -1.32 0.00 0.00 176.35 173.91 1wxt s LYS 9 N 0.14 3.25 0.11 1.98 -0.14 -1.26 -0.47 119.74 123.35 1wxt s LYS 9 Ca 0.56 -0.74 0.06 0.00 -1.36 0.00 0.00 55.97 54.50 1wxt s LYS 9 Cb -0.34 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 1wxt s LYS 9 CO 0.35 0.07 -0.15 -1.64 -0.76 0.00 0.00 175.35 173.22 1wxt s MET 10 N 0.69 0.99 0.25 1.68 -1.94 -0.40 -4.04 119.30 116.54 1wxt s MET 10 Ca -0.07 -1.16 0.06 0.00 -1.71 0.00 0.00 55.69 52.82 1wxt s MET 10 Cb -0.16 -0.97 -0.03 0.00 2.01 0.00 0.00 34.83 35.68 1wxt s MET 10 CO 0.02 0.20 0.27 1.14 -0.01 0.00 0.00 175.02 176.63 1wxt s GLN 11 N -2.31 3.10 0.17 2.03 -2.07 -0.33 -1.40 119.66 118.85 1wxt s GLN 11 Ca 0.06 -0.96 -0.18 0.00 -1.82 0.00 0.00 55.36 52.46 1wxt s GLN 11 Cb -0.07 -2.68 -0.08 0.00 -1.09 0.00 0.00 33.01 29.09 1wxt s GLN 11 CO 0.03 0.39 0.64 0.08 -1.32 0.00 0.00 175.29 175.11 1wxt s VAL 12 N -2.09 4.68 -0.18 3.63 1.01 -0.40 -1.61 120.40 125.44 1wxt s VAL 12 Ca 0.34 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.53 1wxt s VAL 12 Cb -0.08 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.30 1wxt s VAL 12 CO 0.27 0.29 -0.06 0.18 0.00 0.00 0.00 175.10 175.77 1wxt n LEU 13 N 0.94 1.46 -3.78 3.92 4.77 -0.26 -0.97 117.00 123.07 1wxt n LEU 13 Ca -0.05 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 1wxt n LEU 13 Cb 0.51 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1wxt n LEU 13 CO 0.43 0.62 -0.12 -0.31 -1.33 0.00 0.00 177.39 176.68 1wxt s TYR 14 N -2.40 -0.27 0.09 -1.77 2.02 -1.26 -4.77 117.35 108.99 1wxt s TYR 14 Ca -0.18 0.65 -0.31 0.00 -0.37 0.00 0.00 57.07 56.86 1wxt s TYR 14 Cb 0.06 0.07 -0.09 0.00 -0.40 0.00 0.00 41.96 41.60 1wxt s TYR 14 CO 0.57 -0.15 1.72 -2.00 -1.57 0.00 0.00 175.55 174.12 1wxt s GLU 15 N 0.38 4.18 0.04 -0.62 2.12 -1.26 -4.54 118.70 118.99 1wxt s GLU 15 Ca -0.02 2.43 0.07 0.00 0.36 0.00 0.00 54.97 57.81 1wxt s GLU 15 Cb -0.04 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1wxt s GLU 15 CO -0.02 -0.77 -0.19 0.12 -0.54 0.00 0.00 175.26 173.86 1wxt s PHE 16 N 2.66 2.53 -0.36 5.30 5.36 -1.01 -4.96 117.98 127.49 1wxt s PHE 16 Ca 0.76 -0.28 -0.08 0.00 -0.96 0.00 0.00 56.93 56.38 1wxt s PHE 16 Cb -0.42 -1.46 0.05 0.00 -0.34 0.00 0.00 43.02 40.85 1wxt s PHE 16 CO 0.34 0.23 0.16 -2.00 -1.46 0.00 0.00 175.22 172.48 1wxt s GLU 17 N -1.36 2.63 0.12 10.12 2.12 -1.26 -2.92 118.70 128.15 1wxt s GLU 17 Ca 0.14 -1.24 -0.30 0.00 0.36 0.00 0.00 54.97 53.93 1wxt s GLU 17 Cb -0.10 -3.57 -0.07 0.00 0.26 0.00 0.00 34.13 30.65 1wxt s GLU 17 CO 0.04 -0.74 1.11 0.00 -0.54 0.00 0.00 175.26 175.13 1wxt s ALA 18 N 1.42 3.35 -0.20 6.30 0.00 -1.26 -4.94 121.76 126.42 1wxt s ALA 18 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1wxt s ALA 18 Cb -0.20 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 1wxt s ALA 18 CO 0.03 -0.26 -0.19 0.54 0.00 0.00 0.00 175.76 175.87 1wxt n ARG 19 N 2.97 0.49 -2.04 0.00 1.74 -1.26 -4.83 116.66 113.73 1wxt n ARG 19 Ca 0.05 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 1wxt n ARG 19 Cb 0.47 -1.38 0.02 0.00 -1.02 0.00 0.00 32.46 30.55 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 -6.11 5.58 0.42 0.55 0.01 -1.26 -4.93 114.94 109.19 1wxt s ASN 20 Ca -0.28 1.97 0.29 0.00 -0.71 0.00 0.00 52.86 54.14 1wxt s ASN 20 Cb 0.08 -2.55 1.21 0.00 0.41 0.00 0.00 41.25 40.39 1wxt s ASN 20 CO 0.45 -1.31 1.86 1.55 -1.51 0.00 0.00 177.10 178.14 1wxt h PRO 21 N 0.57 0.00 0.00 -0.60 0.13 -2.04 -2.64 132.00 127.42 1wxt h PRO 21 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1wxt h PRO 21 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1wxt h PRO 21 CO 0.56 0.00 -1.05 0.07 -0.23 0.00 0.00 178.00 177.35 1wxt h ARG 22 N 0.00 0.00 -7.62 0.86 0.11 -1.94 -3.47 114.38 102.33 1wxt h ARG 22 Ca 0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 1wxt h ARG 22 Cb 0.43 0.00 0.11 0.00 1.11 0.00 0.00 29.97 31.61 1wxt h ARG 22 CO 0.00 0.18 0.40 -1.21 0.10 0.00 0.00 179.97 179.44 1wxt s GLU 23 N -3.12 1.83 -0.03 0.08 2.02 -1.00 -3.35 118.70 115.14 1wxt s GLU 23 Ca -0.01 0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.08 1wxt s GLU 23 Cb 0.09 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.41 1wxt s GLU 23 CO 0.79 -1.69 0.05 -1.17 0.02 0.00 0.00 175.26 173.26 1wxt s LEU 24 N -5.63 0.76 0.47 1.80 2.96 -1.26 -4.66 118.68 113.12 1wxt s LEU 24 Ca 0.63 0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 54.39 1wxt s LEU 24 Cb -0.11 -0.04 -0.07 0.00 0.50 0.00 0.00 46.19 46.47 1wxt s LEU 24 CO 0.50 -0.17 1.25 -0.89 -1.32 0.00 0.00 176.35 175.72 1wxt s THR 25 N 1.41 2.71 0.12 3.68 2.01 -1.26 -4.65 115.64 119.65 1wxt s THR 25 Ca -0.05 0.55 -0.06 0.00 0.31 0.00 0.00 61.69 62.44 1wxt s THR 25 Cb -0.13 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 1wxt s THR 25 CO -0.03 0.02 0.17 0.68 -0.69 0.00 0.00 174.62 174.76 1wxt s VAL 26 N -1.41 0.12 0.25 3.82 -7.23 -1.15 -4.99 120.40 109.81 1wxt s VAL 26 Ca 0.64 -1.46 0.11 0.00 -1.81 0.00 0.00 61.98 59.46 1wxt s VAL 26 Cb -0.34 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1wxt s VAL 26 CO 0.42 -0.54 -0.19 0.68 -0.31 0.00 0.00 175.10 175.15 1wxt s VAL 27 N -3.94 2.27 0.45 1.32 -7.23 -1.26 -2.42 120.40 109.60 1wxt s VAL 27 Ca 0.13 -2.32 -0.24 0.00 -1.81 0.00 0.00 61.98 57.74 1wxt s VAL 27 Cb 0.05 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.71 1wxt s VAL 27 CO -0.05 -0.42 1.33 -1.58 -0.31 0.00 0.00 175.10 174.07 1wxt s GLN 28 N -3.45 3.69 0.00 4.82 0.74 -1.26 -2.78 119.66 121.42 1wxt s GLN 28 Ca 0.27 2.19 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1wxt s GLN 28 Cb -0.04 -2.57 0.00 0.00 1.10 0.00 0.00 33.01 31.49 1wxt s GLN 28 CO 0.12 -0.74 0.00 0.41 -0.55 0.00 0.00 175.29 174.54 1wxt n GLY 29 N 0.63 1.31 3.33 2.59 0.00 -0.15 -4.90 105.19 108.01 1wxt n GLY 29 Ca 0.06 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 0.19 -4.33 1.61 2.13 -1.12 -4.17 120.64 114.95 1wxt n GLU 30 Ca 0.00 0.08 -0.35 0.00 0.66 0.00 0.00 57.16 57.55 1wxt n GLU 30 Cb 0.00 -1.27 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 1wxt n GLU 30 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wxt s LYS 31 N -1.44 3.24 0.04 5.31 1.02 -1.26 -1.28 119.74 125.38 1wxt s LYS 31 Ca 0.61 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 56.16 1wxt s LYS 31 Cb -0.47 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1wxt s LYS 31 CO 0.62 0.56 0.01 -0.51 -0.92 0.00 0.00 175.35 175.10 1wxt s LEU 32 N -0.48 2.25 -0.10 3.17 1.43 -0.50 -4.94 118.68 119.52 1wxt s LEU 32 Ca 0.08 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 1wxt s LEU 32 Cb -0.12 0.30 -0.05 0.00 0.03 0.00 0.00 46.19 46.35 1wxt s LEU 32 CO 0.02 -0.52 0.31 -0.70 0.23 0.00 0.00 176.35 175.69 1wxt s GLU 33 N -3.12 3.99 -0.03 1.70 2.12 -1.18 -1.27 118.70 120.91 1wxt s GLU 33 Ca -0.01 0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.33 1wxt s GLU 33 Cb 0.02 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1wxt s GLU 33 CO -0.07 0.49 0.49 0.08 -0.54 0.00 0.00 175.26 175.71 1wxt s VAL 34 N -0.33 5.02 -0.01 3.70 1.01 0.38 -1.82 120.40 128.35 1wxt s VAL 34 Ca 0.19 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 63.14 1wxt s VAL 34 Cb -0.14 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1wxt s VAL 34 CO 0.07 0.46 -0.07 0.18 0.00 0.00 0.00 175.10 175.75 1wxt n LEU 35 N 2.59 0.77 -3.95 3.92 4.77 0.77 -4.20 117.00 121.66 1wxt n LEU 35 Ca -0.10 0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1wxt n LEU 35 Cb 0.52 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1wxt n LEU 35 CO 0.41 -0.24 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.47 1wxt s ASP 36 N -5.69 4.43 -0.62 -1.43 -1.08 -1.14 -4.94 116.67 106.19 1wxt s ASP 36 Ca -0.06 -3.12 -0.01 0.00 -0.52 0.00 0.00 52.55 48.84 1wxt s ASP 36 Cb 0.02 -1.65 0.47 0.00 -1.46 0.00 0.00 42.92 40.30 1wxt s ASP 36 CO 0.09 -0.22 1.97 0.00 0.52 0.00 0.00 175.17 177.52 1wxt n HIS 37 N 2.97 3.17 0.00 -5.34 1.44 -1.26 -1.92 115.22 114.28 1wxt n HIS 37 Ca 0.07 -2.85 0.00 0.00 -2.01 0.00 0.00 57.72 52.93 1wxt n HIS 37 Cb 0.33 -1.33 0.00 0.00 0.12 0.00 0.00 29.99 29.11 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 -0.93 0.00 -4.20 4.39 7.64 -1.26 -5.02 113.62 114.23 1wxt n SER 38 Ca 0.61 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 60.20 1wxt n SER 38 Cb 0.78 -0.34 0.24 0.00 -1.01 0.00 0.00 64.21 63.89 1wxt n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wxt n LYS 39 N -2.18 -2.67 -0.06 1.43 5.02 -1.26 -4.90 118.16 113.54 1wxt n LYS 39 Ca 0.00 -0.76 -0.04 0.00 -2.02 0.00 0.00 58.31 55.48 1wxt n LYS 39 Cb 0.00 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.02 1wxt n LYS 39 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1wxt h ARG 40 N -2.70 -0.11 -6.44 1.97 2.43 -1.96 -3.38 114.38 104.19 1wxt h ARG 40 Ca -0.56 0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.08 1wxt h ARG 40 Cb 1.32 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1wxt h ARG 40 CO 0.42 -0.07 0.43 -1.58 -1.51 0.00 0.00 179.97 177.65 1wxt s TRP 41 N -3.86 3.59 0.20 2.20 0.52 -1.26 -4.39 118.94 115.93 1wxt s TRP 41 Ca -0.05 1.57 -0.11 0.00 0.02 0.00 0.00 56.10 57.54 1wxt s TRP 41 Cb 0.03 -3.22 -0.07 0.00 -1.15 0.00 0.00 33.47 29.06 1wxt s TRP 41 CO 0.20 -0.42 0.54 -1.58 0.02 0.00 0.00 176.95 175.71 1wxt s TRP 42 N 1.00 3.48 -0.25 -1.98 0.52 -0.38 -4.80 118.94 116.53 1wxt s TRP 42 Ca 0.54 0.91 -0.08 0.00 0.02 0.00 0.00 56.10 57.49 1wxt s TRP 42 Cb -0.24 -2.28 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1wxt s TRP 42 CO 0.28 0.33 0.08 -1.17 0.02 0.00 0.00 176.95 176.49 1wxt s LEU 43 N -2.55 3.55 0.34 2.99 2.96 -0.81 -0.25 118.68 124.91 1wxt s LEU 43 Ca 0.44 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.27 1wxt s LEU 43 Cb -0.12 -1.95 -0.07 0.00 0.50 0.00 0.00 46.19 44.55 1wxt s LEU 43 CO 0.21 -0.02 -0.04 0.68 -1.32 0.00 0.00 176.35 175.86 1wxt s VAL 44 N 1.51 1.86 0.06 1.68 -7.23 -1.02 -0.17 120.40 117.10 1wxt s VAL 44 Ca 0.06 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 1wxt s VAL 44 Cb -0.15 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1wxt s VAL 44 CO 0.04 -0.15 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.80 1wxt s LYS 45 N -3.71 0.83 0.48 4.82 2.20 -0.75 -1.50 119.74 122.11 1wxt s LYS 45 Ca 0.33 -0.90 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 1wxt s LYS 45 Cb 0.06 -0.83 0.02 0.00 -1.51 0.00 0.00 37.83 35.57 1wxt s LYS 45 CO 0.15 0.19 0.55 0.54 -0.36 0.00 0.00 175.35 176.42 1wxt s ASN 46 N -1.58 5.19 0.22 1.43 2.20 -0.71 -3.12 114.94 118.57 1wxt s ASN 46 Ca -0.01 -0.75 -0.08 0.00 -0.94 0.00 0.00 52.86 51.08 1wxt s ASN 46 Cb -0.09 -0.23 0.27 0.00 -2.00 0.00 0.00 41.25 39.20 1wxt s ASN 46 CO 0.02 -0.93 1.84 -0.33 -2.94 0.00 0.00 177.10 174.76 1wxt h GLU 47 N 0.65 0.83 -0.55 3.55 5.08 -1.92 -1.07 114.58 121.16 1wxt h GLU 47 Ca -0.37 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1wxt h GLU 47 Cb 1.28 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1wxt h GLU 47 CO 0.49 0.55 0.38 0.00 -1.00 0.00 0.00 179.01 179.43 1wxt h ALA 48 N 1.36 2.21 0.00 3.43 0.00 -2.04 -3.45 119.26 120.77 1wxt h ALA 48 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wxt h ALA 48 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wxt h ALA 48 CO -0.16 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.15 1wxt n GLY 49 N -1.57 2.21 3.71 0.00 0.00 -0.40 -5.09 105.19 104.05 1wxt n GLY 49 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.06 4.37 -0.10 1.61 0.52 -1.26 -4.67 118.95 119.36 1wxt s ARG 50 Ca 0.00 1.93 0.02 0.00 -0.52 0.00 0.00 55.73 57.16 1wxt s ARG 50 Cb 0.00 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 1wxt s ARG 50 CO 0.00 -0.37 -0.15 -1.54 0.02 0.00 0.00 175.30 173.25 1wxt s SER 51 N 1.16 3.85 0.08 0.23 1.04 -1.26 -1.75 113.70 117.06 1wxt s SER 51 Ca 0.62 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1wxt s SER 51 Cb -0.33 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 1wxt s SER 51 CO 0.29 0.23 -0.08 -0.83 0.98 0.00 0.00 173.24 173.83 1wxt s GLY 52 N -0.03 0.72 -0.21 7.32 0.00 -0.56 -4.77 107.32 109.79 1wxt s GLY 52 Ca -0.04 -1.11 -0.27 0.00 0.00 0.00 0.00 44.72 43.30 1wxt s GLY 52 CO 0.04 -1.18 0.96 -0.19 0.00 0.00 0.00 173.10 172.73 1wxt s TYR 53 N -2.45 3.36 0.10 1.90 2.02 -1.21 -2.42 117.35 118.64 1wxt s TYR 53 Ca 0.03 1.37 0.08 0.00 -0.37 0.00 0.00 57.07 58.18 1wxt s TYR 53 Cb -0.03 -3.17 -0.03 0.00 -0.40 0.00 0.00 41.96 38.32 1wxt s TYR 53 CO -0.01 -0.41 -0.22 0.96 -1.57 0.00 0.00 175.55 174.31 1wxt s ILE 54 N 2.86 1.77 -0.05 2.71 -4.36 0.65 -4.37 121.20 120.42 1wxt s ILE 54 Ca 0.41 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 58.96 1wxt s ILE 54 Cb -0.16 -1.60 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 1wxt s ILE 54 CO 0.08 -0.03 1.48 -2.16 0.24 0.00 0.00 174.94 174.56 1wxt s PRO 55 N -1.88 4.23 0.47 0.37 0.04 -1.26 -1.25 135.00 135.72 1wxt s PRO 55 Ca 0.07 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.35 1wxt s PRO 55 Cb -0.10 -3.76 1.22 0.00 0.04 0.00 0.00 34.50 31.90 1wxt s PRO 55 CO 0.04 -0.71 1.65 0.66 0.04 0.00 0.00 177.00 178.68 1wxt h SER 56 N 8.56 0.00 0.13 6.66 4.64 -1.91 0.76 113.55 132.39 1wxt h SER 56 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1wxt h SER 56 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1wxt h SER 56 CO 0.94 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 177.68 1wxt h ASN 57 N 0.00 0.00 -0.31 4.97 2.35 -1.93 -0.99 115.58 119.67 1wxt h ASN 57 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1wxt h ASN 57 Cb 0.51 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.77 1wxt h ASN 57 CO 0.00 0.00 -0.18 2.30 -1.65 0.00 0.00 177.43 177.90 1wxt n ILE 58 N -2.67 2.51 -4.27 2.81 -5.35 0.26 -4.85 119.36 107.80 1wxt n ILE 58 Ca -0.02 -2.93 -0.16 0.00 -0.27 0.00 0.00 62.75 59.38 1wxt n ILE 58 Cb 0.08 -0.35 -0.10 0.00 -1.74 0.00 0.00 39.64 37.53 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 -3.28 2.51 0.08 7.28 1.43 -0.38 -1.11 118.68 125.22 1wxt s LEU 59 Ca 0.44 -0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 1wxt s LEU 59 Cb 0.40 -0.45 0.08 0.00 0.03 0.00 0.00 46.19 46.25 1wxt s LEU 59 CO -0.02 -0.26 0.70 -1.61 0.23 0.00 0.00 176.35 175.39 1wxt s GLU 60 N -3.52 1.11 -0.67 1.70 2.02 -0.63 -4.81 118.70 113.90 1wxt s GLU 60 Ca 0.16 -0.33 -0.26 0.00 0.02 0.00 0.00 54.97 54.57 1wxt s GLU 60 Cb 0.00 0.51 -0.03 0.00 0.10 0.00 0.00 34.13 34.72 1wxt s GLU 60 CO 0.02 -0.47 1.88 -1.25 0.02 0.00 0.00 175.26 175.46 1wxt s PRO 61 N -3.22 2.61 0.29 0.39 0.04 -1.26 -1.18 135.00 132.66 1wxt s PRO 61 Ca 0.01 0.42 0.20 0.00 0.04 0.00 0.00 61.00 61.67 1wxt s PRO 61 Cb -0.01 -4.53 0.12 0.00 0.04 0.00 0.00 34.50 30.13 1wxt s PRO 61 CO -0.09 -2.87 1.32 1.37 0.04 0.00 0.00 177.00 176.77 1wxt h LEU 62 N 16.73 0.00-10.15 -3.56 8.10 -1.90 -3.46 115.31 121.07 1wxt h LEU 62 Ca -0.19 0.00 -0.47 0.00 0.11 0.00 0.00 57.88 57.33 1wxt h LEU 62 Cb 1.13 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 41.37 1wxt h LEU 62 CO 1.22 0.19 0.37 -0.44 -4.11 0.00 0.00 178.44 175.67 1wxt s SER 63 N -5.98 6.46 -0.28 0.17 0.01 -1.26 -5.01 113.70 107.82 1wxt s SER 63 Ca 0.03 1.70 -0.22 0.00 1.31 0.00 0.00 55.95 58.77 1wxt s SER 63 Cb 0.07 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.87 1wxt s SER 63 CO 0.74 -0.70 0.81 -0.83 0.41 0.00 0.00 173.24 173.67 1wxt s GLY 64 N -2.68 -0.42 0.00 3.44 0.00 -1.26 -5.02 107.32 101.37 1wxt s GLY 64 Ca 0.62 2.40 0.14 0.00 0.00 0.00 0.00 44.72 47.88 1wxt s GLY 64 CO 0.27 2.04 1.45 -1.55 0.00 0.00 0.00 173.10 175.31 1wxt n PRO 65 N 3.13 0.05 -1.35 2.90 -0.04 -1.26 -4.86 135.00 133.58 1wxt n PRO 65 Ca -0.16 0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 1wxt n PRO 65 Cb 0.57 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1wxt n PRO 65 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wxt n SER 66 N -1.45 -2.37 -4.53 3.54 2.88 -1.26 -4.55 113.62 105.89 1wxt n SER 66 Ca 0.04 0.76 -0.31 0.00 -1.33 0.00 0.00 58.87 58.03 1wxt n SER 66 Cb 0.15 -0.98 -0.12 0.00 -0.75 0.00 0.00 64.21 62.52 1wxt n SER 66 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wxt n SER 67 N 1.77 0.81 0.00 -3.46 7.64 -1.26 -5.26 113.62 113.85 1wxt n SER 67 Ca 0.10 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1wxt n SER 67 Cb 0.44 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1wxt n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64