#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 -0.54 -0.85 1.61 1.04 -1.26 -5.08 113.70 108.62 1wxt s SER 2 Ca 0.00 0.26 -0.24 0.00 0.48 0.00 0.00 55.95 56.45 1wxt s SER 2 Cb 0.00 0.52 -0.20 0.00 0.10 0.00 0.00 66.02 66.43 1wxt s SER 2 CO 0.00 -0.74 2.46 -1.20 0.98 0.00 0.00 173.24 174.74 1wxt n SER 3 N 0.14 0.55 0.00 7.02 7.64 -1.26 -4.61 113.62 123.11 1wxt n SER 3 Ca -0.16 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1wxt n SER 3 Cb 0.61 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1wxt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxt n GLY 4 N 6.19 3.59 3.51 0.23 0.00 -1.26 -5.11 105.19 112.34 1wxt n GLY 4 Ca 0.57 -0.22 -0.57 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.18 -4.31 1.61 7.64 -1.26 -4.88 113.62 112.60 1wxt n SER 5 Ca 0.00 1.15 -0.46 0.00 1.01 0.00 0.00 58.87 60.57 1wxt n SER 5 Cb 0.00 -0.97 -0.04 0.00 -1.01 0.00 0.00 64.21 62.19 1wxt n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wxt s SER 6 N 0.00 6.40 0.00 6.43 0.01 -1.26 -5.00 113.70 120.28 1wxt s SER 6 Ca 0.88 -2.20 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1wxt s SER 6 Cb -1.19 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 62.84 1wxt s SER 6 CO 0.55 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1wxt n GLY 7 N 4.65 1.25 2.99 3.44 0.00 -1.26 -5.07 105.19 111.19 1wxt n GLY 7 Ca -0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 1.91 0.02 0.99 2.96 -1.26 -5.09 118.68 118.21 1wxt s LEU 8 Ca 0.00 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1wxt s LEU 8 Cb 0.00 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.95 1wxt s LEU 8 CO 0.00 -0.22 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.14 1wxt s LYS 9 N -0.91 0.91 0.06 1.98 1.02 -1.26 -0.89 119.74 120.65 1wxt s LYS 9 Ca -0.10 -0.62 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1wxt s LYS 9 Cb -0.06 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.33 1wxt s LYS 9 CO -0.00 0.23 0.07 -1.64 -0.92 0.00 0.00 175.35 173.09 1wxt s MET 10 N -0.82 0.69 0.39 1.68 -1.94 -0.61 -4.47 119.30 114.22 1wxt s MET 10 Ca 0.02 -1.04 0.08 0.00 -1.71 0.00 0.00 55.69 53.04 1wxt s MET 10 Cb -0.07 0.26 -0.03 0.00 2.01 0.00 0.00 34.83 37.01 1wxt s MET 10 CO 0.01 -0.17 0.32 1.14 -0.01 0.00 0.00 175.02 176.30 1wxt s GLN 11 N -3.65 2.54 -0.31 2.03 -2.07 -1.18 -1.73 119.66 115.29 1wxt s GLN 11 Ca 0.04 -1.51 -0.14 0.00 -1.82 0.00 0.00 55.36 51.93 1wxt s GLN 11 Cb 0.05 -2.35 -0.03 0.00 -1.09 0.00 0.00 33.01 29.60 1wxt s GLN 11 CO -0.09 -0.09 0.32 0.08 -1.32 0.00 0.00 175.29 174.19 1wxt s VAL 12 N -2.44 5.21 0.03 3.63 1.01 -0.82 -2.75 120.40 124.26 1wxt s VAL 12 Ca 0.45 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.71 1wxt s VAL 12 Cb -0.03 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.48 1wxt s VAL 12 CO 0.27 0.05 1.20 0.25 0.00 0.00 0.00 175.10 176.87 1wxt h LEU 13 N 8.61 0.00 -7.48 3.92 5.85 -0.98 -0.44 115.31 124.79 1wxt h LEU 13 Ca -0.31 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.21 1wxt h LEU 13 Cb 1.16 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 41.91 1wxt h LEU 13 CO 0.65 0.87 -0.51 -0.31 -0.34 0.00 0.00 178.44 178.80 1wxt s TYR 14 N -2.76 -0.23 0.25 1.25 2.02 -1.26 -4.80 117.35 111.82 1wxt s TYR 14 Ca 0.01 0.57 -0.30 0.00 -0.37 0.00 0.00 57.07 56.98 1wxt s TYR 14 Cb 0.09 0.04 -0.10 0.00 -0.40 0.00 0.00 41.96 41.59 1wxt s TYR 14 CO 0.80 -0.14 1.47 -2.00 -1.57 0.00 0.00 175.55 174.12 1wxt s GLU 15 N 0.53 4.24 0.11 -0.62 2.12 -1.26 -4.59 118.70 119.23 1wxt s GLU 15 Ca -0.04 2.35 0.08 0.00 0.36 0.00 0.00 54.97 57.72 1wxt s GLU 15 Cb -0.05 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 1wxt s GLU 15 CO -0.03 -0.47 -0.19 0.12 -0.54 0.00 0.00 175.26 174.16 1wxt s PHE 16 N 0.06 1.69 -0.11 5.30 2.19 0.11 -4.93 117.98 122.28 1wxt s PHE 16 Ca 0.61 -0.45 0.02 0.00 0.33 0.00 0.00 56.93 57.44 1wxt s PHE 16 Cb -0.43 -0.90 -0.01 0.00 -1.31 0.00 0.00 43.02 40.37 1wxt s PHE 16 CO 0.43 0.21 -0.19 -2.00 1.83 0.00 0.00 175.22 175.50 1wxt s GLU 17 N -2.16 3.20 0.31 10.12 2.12 -1.26 -2.19 118.70 128.84 1wxt s GLU 17 Ca 0.08 -0.79 -0.14 0.00 0.36 0.00 0.00 54.97 54.48 1wxt s GLU 17 Cb -0.09 -2.45 -0.08 0.00 0.26 0.00 0.00 34.13 31.77 1wxt s GLU 17 CO 0.04 0.20 0.70 0.00 -0.54 0.00 0.00 175.26 175.66 1wxt s ALA 18 N 0.34 3.37 -0.06 6.30 0.00 -1.26 -4.96 121.76 125.49 1wxt s ALA 18 Ca -0.15 -0.03 0.18 0.00 0.00 0.00 0.00 51.96 51.95 1wxt s ALA 18 Cb -0.17 -2.70 0.34 0.00 0.00 0.00 0.00 23.12 20.59 1wxt s ALA 18 CO 0.08 0.35 1.15 2.89 0.00 0.00 0.00 175.76 180.23 1wxt n ARG 19 N -0.37 0.45 -3.52 0.00 1.85 -1.26 -4.92 116.66 108.89 1wxt n ARG 19 Ca 0.03 -2.17 -0.11 0.00 -1.00 0.00 0.00 57.85 54.60 1wxt n ARG 19 Cb 0.53 -0.56 -0.03 0.00 -1.05 0.00 0.00 32.46 31.35 1wxt n ARG 19 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1wxt s ASN 20 N -2.17 -0.46 0.00 2.89 2.20 -1.26 -5.02 114.94 111.11 1wxt s ASN 20 Ca 0.29 -0.14 0.14 0.00 -0.94 0.00 0.00 52.86 52.21 1wxt s ASN 20 Cb 0.31 0.59 0.67 0.00 -2.00 0.00 0.00 41.25 40.81 1wxt s ASN 20 CO -0.10 -0.99 1.43 -0.81 -2.94 0.00 0.00 177.10 173.69 1wxt n PRO 21 N -0.36 0.09 -0.05 3.55 -0.04 -1.26 -2.34 135.00 134.60 1wxt n PRO 21 Ca -0.15 0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.49 1wxt n PRO 21 Cb 0.64 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.45 1wxt n PRO 21 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wxt n ARG 22 N -1.40 0.67 -3.32 0.54 1.85 -1.26 -4.96 116.66 108.78 1wxt n ARG 22 Ca 0.05 -0.02 -0.27 0.00 -1.00 0.00 0.00 57.85 56.61 1wxt n ARG 22 Cb 0.14 -1.58 -0.02 0.00 -1.05 0.00 0.00 32.46 29.95 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 -2.87 3.58 -0.01 2.89 0.41 -0.99 -1.99 118.70 119.73 1wxt s GLU 23 Ca -0.08 -0.09 0.05 0.00 -0.41 0.00 0.00 54.97 54.44 1wxt s GLU 23 Cb 0.09 -2.64 -0.01 0.00 -1.78 0.00 0.00 34.13 29.78 1wxt s GLU 23 CO 0.85 0.18 -0.16 -1.17 -0.49 0.00 0.00 175.26 174.47 1wxt s LEU 24 N -3.82 2.04 0.16 1.80 2.96 -1.24 -4.68 118.68 115.89 1wxt s LEU 24 Ca 0.43 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.74 1wxt s LEU 24 Cb -0.10 -0.81 -0.07 0.00 0.50 0.00 0.00 46.19 45.71 1wxt s LEU 24 CO 0.33 0.19 1.11 -0.89 -1.32 0.00 0.00 176.35 175.77 1wxt s THR 25 N -0.40 3.91 0.04 3.68 2.01 -1.26 -4.45 115.64 119.18 1wxt s THR 25 Ca 0.06 1.59 0.01 0.00 0.31 0.00 0.00 61.69 63.67 1wxt s THR 25 Cb -0.06 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1wxt s THR 25 CO -0.00 0.25 -0.06 0.68 -0.69 0.00 0.00 174.62 174.79 1wxt s VAL 26 N -0.00 0.42 0.41 3.82 -7.23 -0.93 -4.99 120.40 111.89 1wxt s VAL 26 Ca 0.51 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.66 1wxt s VAL 26 Cb -0.29 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1wxt s VAL 26 CO 0.34 -0.45 0.24 0.68 -0.31 0.00 0.00 175.10 175.60 1wxt s VAL 27 N -1.57 2.50 0.30 1.32 -7.23 -1.26 -0.72 120.40 113.74 1wxt s VAL 27 Ca -0.10 -1.58 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 1wxt s VAL 27 Cb -0.09 -3.00 -0.09 0.00 0.56 0.00 0.00 36.38 33.76 1wxt s VAL 27 CO -0.00 -0.02 0.86 -1.58 -0.31 0.00 0.00 175.10 174.05 1wxt s GLN 28 N -3.98 4.42 -0.31 4.82 0.74 -1.26 -3.83 119.66 120.27 1wxt s GLN 28 Ca 0.43 1.13 0.00 0.00 0.05 0.00 0.00 55.36 56.97 1wxt s GLN 28 Cb 0.01 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1wxt s GLN 28 CO 0.24 0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.69 1wxt n GLY 29 N 0.50 0.40 3.67 2.59 0.00 -0.17 -4.96 105.19 107.23 1wxt n GLY 29 Ca 0.01 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1wxt n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wxt s GLU 30 N -3.37 2.50 -0.31 1.61 2.12 -1.25 -4.93 118.70 115.07 1wxt s GLU 30 Ca 0.00 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.37 1wxt s GLU 30 Cb 0.00 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.87 1wxt s GLU 30 CO 0.00 0.54 0.16 0.15 -0.54 0.00 0.00 175.26 175.57 1wxt s LYS 31 N -2.28 3.38 0.28 4.30 1.02 -1.26 -1.95 119.74 123.23 1wxt s LYS 31 Ca 0.25 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 55.61 1wxt s LYS 31 Cb -0.12 -3.59 -0.06 0.00 -0.52 0.00 0.00 37.83 33.54 1wxt s LYS 31 CO 0.18 -0.41 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.64 1wxt s LEU 32 N 1.63 2.47 -0.12 3.17 1.43 -0.71 -4.92 118.68 121.64 1wxt s LEU 32 Ca 0.05 -1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 51.93 1wxt s LEU 32 Cb -0.17 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 1wxt s LEU 32 CO 0.07 -0.36 -0.07 -0.70 0.23 0.00 0.00 176.35 175.52 1wxt s GLU 33 N -3.74 3.32 0.35 1.70 2.12 -1.22 -1.57 118.70 119.66 1wxt s GLU 33 Ca 0.30 -0.57 -0.24 0.00 0.36 0.00 0.00 54.97 54.81 1wxt s GLU 33 Cb 0.04 -2.74 -0.10 0.00 0.26 0.00 0.00 34.13 31.59 1wxt s GLU 33 CO 0.12 0.36 0.93 0.08 -0.54 0.00 0.00 175.26 176.22 1wxt s VAL 34 N 0.01 4.28 0.04 3.70 1.01 -0.06 -2.21 120.40 127.16 1wxt s VAL 34 Ca -0.01 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1wxt s VAL 34 Cb -0.14 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1wxt s VAL 34 CO 0.03 0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.32 1wxt n LEU 35 N 0.22 0.26 -3.85 3.92 4.77 0.13 -4.39 117.00 118.05 1wxt n LEU 35 Ca 0.03 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1wxt n LEU 35 Cb 0.51 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1wxt n LEU 35 CO 0.42 -0.28 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.28 1wxt s ASP 36 N -5.24 4.26 -0.57 -1.43 2.15 -1.15 -4.97 116.67 109.72 1wxt s ASP 36 Ca 0.00 -2.11 0.01 0.00 0.43 0.00 0.00 52.55 50.89 1wxt s ASP 36 Cb 0.00 -1.24 0.43 0.00 -0.30 0.00 0.00 42.92 41.82 1wxt s ASP 36 CO 0.00 -0.36 1.72 0.00 -0.17 0.00 0.00 175.17 176.36 1wxt n HIS 37 N 4.27 3.08 -0.06 -5.34 1.44 -1.26 -1.59 115.22 115.76 1wxt n HIS 37 Ca 0.02 -2.71 -0.07 0.00 -2.01 0.00 0.00 57.72 52.96 1wxt n HIS 37 Cb 0.40 -0.99 -0.02 0.00 0.12 0.00 0.00 29.99 29.50 1wxt n HIS 37 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1wxt n SER 38 N -0.76 1.45 -4.72 4.39 2.88 -1.26 -5.01 113.62 110.58 1wxt n SER 38 Ca 0.54 0.25 -0.31 0.00 -1.33 0.00 0.00 58.87 58.01 1wxt n SER 38 Cb 0.68 -0.66 0.12 0.00 -0.75 0.00 0.00 64.21 63.60 1wxt n SER 38 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wxt s LYS 39 N -2.43 1.75 0.31 -1.46 2.20 -1.26 -4.86 119.74 113.98 1wxt s LYS 39 Ca -0.21 1.39 0.08 0.00 -0.36 0.00 0.00 55.97 56.86 1wxt s LYS 39 Cb 0.03 -1.82 0.89 0.00 -1.51 0.00 0.00 37.83 35.42 1wxt s LYS 39 CO 0.31 -2.06 1.47 0.54 -0.36 0.00 0.00 175.35 175.25 1wxt n ARG 40 N -3.71 -0.07 -3.62 4.03 5.12 -1.26 -4.13 116.66 113.02 1wxt n ARG 40 Ca 0.11 1.36 -0.37 0.00 -1.93 0.00 0.00 57.85 57.02 1wxt n ARG 40 Cb 0.52 -2.25 -0.07 0.00 -1.16 0.00 0.00 32.46 29.51 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wxt s TRP 41 N -5.75 3.57 0.20 -1.55 0.52 -1.26 -4.50 118.94 110.16 1wxt s TRP 41 Ca -0.11 0.67 -0.06 0.00 0.02 0.00 0.00 56.10 56.62 1wxt s TRP 41 Cb 0.29 -2.22 -0.06 0.00 -1.15 0.00 0.00 33.47 30.33 1wxt s TRP 41 CO 0.73 0.48 0.46 -1.58 0.02 0.00 0.00 176.95 177.06 1wxt s TRP 42 N -0.34 3.46 -0.20 -1.98 0.52 -0.72 -4.69 118.94 114.99 1wxt s TRP 42 Ca 0.18 0.66 -0.04 0.00 0.02 0.00 0.00 56.10 56.92 1wxt s TRP 42 Cb -0.14 -2.09 -0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1wxt s TRP 42 CO 0.06 0.34 -0.04 -1.17 0.02 0.00 0.00 176.95 176.16 1wxt s LEU 43 N -2.89 3.04 0.40 2.99 2.96 -0.62 -0.48 118.68 124.08 1wxt s LEU 43 Ca 0.43 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1wxt s LEU 43 Cb -0.12 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 1wxt s LEU 43 CO 0.25 0.05 0.03 0.68 -1.32 0.00 0.00 176.35 176.03 1wxt s VAL 44 N 1.08 1.53 0.06 1.68 -7.23 -0.93 0.17 120.40 116.76 1wxt s VAL 44 Ca 0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1wxt s VAL 44 Cb -0.15 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 1wxt s VAL 44 CO 0.00 0.00 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.98 1wxt s LYS 45 N -3.79 0.59 0.48 4.82 2.20 -0.94 -1.53 119.74 121.58 1wxt s LYS 45 Ca 0.30 -0.92 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 1wxt s LYS 45 Cb 0.08 -0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1wxt s LYS 45 CO 0.15 0.01 0.39 0.54 -0.36 0.00 0.00 175.35 176.08 1wxt s ASN 46 N -2.03 4.77 0.24 1.43 2.20 -0.43 -3.41 114.94 117.71 1wxt s ASN 46 Ca -0.04 -1.03 -0.05 0.00 -0.94 0.00 0.00 52.86 50.80 1wxt s ASN 46 Cb -0.05 -0.05 0.35 0.00 -2.00 0.00 0.00 41.25 39.50 1wxt s ASN 46 CO -0.02 -0.89 1.84 -0.33 -2.94 0.00 0.00 177.10 174.77 1wxt h GLU 47 N 0.90 0.92 -0.59 3.55 3.07 -1.91 -0.56 114.58 119.97 1wxt h GLU 47 Ca -0.39 -0.06 0.17 0.00 -0.50 0.00 0.00 59.36 58.59 1wxt h GLU 47 Cb 1.28 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1wxt h GLU 47 CO 0.58 0.61 0.46 0.00 -1.40 0.00 0.00 179.01 179.25 1wxt h ALA 48 N 1.42 2.49 0.00 3.43 0.00 -2.03 -3.44 119.26 121.11 1wxt h ALA 48 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wxt h ALA 48 Cb 0.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wxt h ALA 48 CO -0.19 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 178.71 1wxt n GLY 49 N -1.62 0.94 3.75 0.00 0.00 -0.22 -5.09 105.19 102.95 1wxt n GLY 49 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.58 4.31 -0.13 1.61 0.52 -1.26 -4.83 118.95 118.59 1wxt s ARG 50 Ca 0.00 0.62 0.03 0.00 -0.52 0.00 0.00 55.73 55.86 1wxt s ARG 50 Cb 0.00 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 32.10 1wxt s ARG 50 CO 0.00 0.28 -0.21 -1.54 0.02 0.00 0.00 175.30 173.85 1wxt s SER 51 N 0.15 3.21 0.18 0.23 1.04 -1.26 -1.31 113.70 115.94 1wxt s SER 51 Ca 0.29 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.17 1wxt s SER 51 Cb -0.17 -1.46 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 1wxt s SER 51 CO 0.14 0.11 0.04 -0.83 0.98 0.00 0.00 173.24 173.68 1wxt s GLY 52 N 0.66 1.29 0.20 7.32 0.00 -0.58 -4.85 107.32 111.36 1wxt s GLY 52 Ca -0.10 -1.63 -0.28 0.00 0.00 0.00 0.00 44.72 42.71 1wxt s GLY 52 CO 0.02 -1.50 0.86 -0.19 0.00 0.00 0.00 173.10 172.29 1wxt s TYR 53 N -3.80 3.94 -0.00 1.90 2.02 -0.84 -2.18 117.35 118.39 1wxt s TYR 53 Ca 0.28 1.78 -0.09 0.00 -0.37 0.00 0.00 57.07 58.67 1wxt s TYR 53 Cb 0.07 -2.88 0.01 0.00 -0.40 0.00 0.00 41.96 38.75 1wxt s TYR 53 CO 0.06 0.47 0.17 0.96 -1.57 0.00 0.00 175.55 175.64 1wxt s ILE 54 N -1.09 0.08 -0.12 2.71 -4.36 0.37 -3.68 121.20 115.10 1wxt s ILE 54 Ca 0.39 -0.64 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 1wxt s ILE 54 Cb -0.24 -0.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 1wxt s ILE 54 CO 0.29 -0.35 1.54 -2.16 0.24 0.00 0.00 174.94 174.50 1wxt s PRO 55 N -1.35 4.12 0.32 0.37 0.04 -1.26 -1.75 135.00 135.48 1wxt s PRO 55 Ca -0.14 1.94 0.16 0.00 0.04 0.00 0.00 61.00 62.99 1wxt s PRO 55 Cb -0.07 -3.94 0.86 0.00 0.04 0.00 0.00 34.50 31.40 1wxt s PRO 55 CO 0.02 -0.90 1.42 0.45 0.04 0.00 0.00 177.00 178.03 1wxt n SER 56 N 7.25 0.41 0.26 6.66 2.88 -1.26 -0.74 113.62 129.09 1wxt n SER 56 Ca 0.17 0.62 0.10 0.00 -1.33 0.00 0.00 58.87 58.43 1wxt n SER 56 Cb 0.44 -0.61 0.70 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 -0.66 -3.46 4.21 -1.93 -0.95 115.58 112.79 1wxt h ASN 57 Ca 0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 1wxt h ASN 57 Cb 0.40 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.53 1wxt h ASN 57 CO 0.00 0.08 0.14 2.30 -1.29 0.00 0.00 177.43 178.66 1wxt n ILE 58 N -4.10 2.85 -4.92 2.81 -5.35 0.09 -4.89 119.36 105.85 1wxt n ILE 58 Ca -0.03 -1.50 -0.32 0.00 -0.27 0.00 0.00 62.75 60.64 1wxt n ILE 58 Cb 0.16 -0.33 -0.17 0.00 -1.74 0.00 0.00 39.64 37.57 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 -2.86 2.04 0.16 7.28 1.43 -0.36 -0.31 118.68 126.06 1wxt s LEU 59 Ca 0.55 -0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1wxt s LEU 59 Cb 0.43 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1wxt s LEU 59 CO 0.15 0.11 -0.23 -1.61 0.23 0.00 0.00 176.35 175.00 1wxt s GLU 60 N 0.59 1.38 -1.03 1.70 0.41 -1.11 -4.94 118.70 115.69 1wxt s GLU 60 Ca -0.13 -1.40 -0.24 0.00 -0.41 0.00 0.00 54.97 52.79 1wxt s GLU 60 Cb -0.17 -1.70 -0.07 0.00 -1.78 0.00 0.00 34.13 30.42 1wxt s GLU 60 CO 0.04 0.38 1.94 -1.25 -0.49 0.00 0.00 175.26 175.88 1wxt s PRO 61 N -2.40 2.53 -0.75 0.39 0.04 -1.26 -3.08 135.00 130.46 1wxt s PRO 61 Ca 0.16 -0.70 -0.19 0.00 0.04 0.00 0.00 61.00 60.30 1wxt s PRO 61 Cb -0.08 -5.15 -0.19 0.00 0.04 0.00 0.00 34.50 29.12 1wxt s PRO 61 CO 0.07 -3.66 1.93 1.28 0.04 0.00 0.00 177.00 176.66 1wxt n LEU 62 N 14.16 -0.10 -4.62 -3.56 4.77 -1.26 -4.83 117.00 121.57 1wxt n LEU 62 Ca 0.42 0.01 -0.29 0.00 -0.03 0.00 0.00 56.01 56.12 1wxt n LEU 62 Cb 0.47 -0.62 0.19 0.00 -2.33 0.00 0.00 43.42 41.13 1wxt n LEU 62 CO 0.63 -0.67 0.61 -0.44 -1.33 0.00 0.00 177.39 176.19 1wxt s SER 63 N 5.17 2.24 0.19 -1.43 0.01 -1.26 -5.06 113.70 113.56 1wxt s SER 63 Ca 1.01 1.48 -0.23 0.00 1.31 0.00 0.00 55.95 59.52 1wxt s SER 63 Cb -0.87 -2.16 0.06 0.00 0.21 0.00 0.00 66.02 63.26 1wxt s SER 63 CO 0.38 -3.41 0.96 -0.83 0.41 0.00 0.00 173.24 170.75 1wxt s GLY 64 N -3.03 -0.05 0.00 3.44 0.00 -1.26 -5.01 107.32 101.41 1wxt s GLY 64 Ca 0.66 -0.14 0.14 0.00 0.00 0.00 0.00 44.72 45.39 1wxt s GLY 64 CO 0.60 0.73 1.42 -1.55 0.00 0.00 0.00 173.10 174.30 1wxt n PRO 65 N -0.55 0.12 -1.53 2.90 -0.04 -1.26 -4.85 135.00 129.80 1wxt n PRO 65 Ca -0.05 0.19 -0.54 0.00 -0.04 0.00 0.00 63.50 63.06 1wxt n PRO 65 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.37 0.51 -3.99 3.54 2.88 -1.26 -4.89 113.62 109.03 1wxt n SER 66 Ca 0.05 1.14 -0.28 0.00 -1.33 0.00 0.00 58.87 58.46 1wxt n SER 66 Cb 0.14 -1.04 0.22 0.00 -0.75 0.00 0.00 64.21 62.78 1wxt n SER 66 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wxt n SER 67 N 1.90 -2.75 0.00 -3.46 2.88 -1.26 -5.23 113.62 105.70 1wxt n SER 67 Ca 0.18 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1wxt n SER 67 Cb 0.16 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1wxt n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42