#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 2.56 -0.20 1.61 0.01 -1.26 -5.05 113.70 111.38 1wxt s SER 2 Ca 0.00 -0.55 -0.15 0.00 1.31 0.00 0.00 55.95 56.56 1wxt s SER 2 Cb 0.00 -0.21 -0.20 0.00 0.21 0.00 0.00 66.02 65.82 1wxt s SER 2 CO 0.00 0.16 0.15 -1.54 0.41 0.00 0.00 173.24 172.42 1wxt n SER 3 N 1.75 1.96 0.00 2.44 3.41 -1.26 -5.11 113.62 116.81 1wxt n SER 3 Ca -0.17 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1wxt n SER 3 Cb 0.53 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1wxt n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxt n GLY 4 N 1.62 3.25 3.22 5.00 0.00 -1.26 -5.14 105.19 111.89 1wxt n GLY 4 Ca -0.36 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 1wxt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxt s SER 5 N 0.00 1.22 -0.74 1.61 1.04 -1.26 -5.11 113.70 110.46 1wxt s SER 5 Ca 0.00 -1.12 -0.04 0.00 0.48 0.00 0.00 55.95 55.27 1wxt s SER 5 Cb 0.00 0.11 0.19 0.00 0.10 0.00 0.00 66.02 66.42 1wxt s SER 5 CO 0.00 -0.53 0.60 -0.44 0.98 0.00 0.00 173.24 173.85 1wxt s SER 6 N -3.14 5.66 0.41 7.02 0.01 -1.26 -5.05 113.70 117.35 1wxt s SER 6 Ca 0.21 -3.15 0.00 0.00 1.31 0.00 0.00 55.95 54.32 1wxt s SER 6 Cb 0.06 -1.91 -0.00 0.00 0.21 0.00 0.00 66.02 64.37 1wxt s SER 6 CO 0.02 -0.32 0.01 0.61 0.41 0.00 0.00 173.24 173.96 1wxt n GLY 7 N 3.13 3.66 3.84 3.44 0.00 -1.26 -5.14 105.19 112.86 1wxt n GLY 7 Ca 0.13 -2.33 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 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 4.23 0.02 0.99 2.96 -1.26 -5.02 118.68 120.60 1wxt s LEU 8 Ca 0.01 1.24 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 1wxt s LEU 8 Cb 0.00 -3.70 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1wxt s LEU 8 CO 0.01 -0.05 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.38 1wxt s LYS 9 N -2.41 0.52 0.16 1.98 1.02 -1.26 -1.33 119.74 118.41 1wxt s LYS 9 Ca 0.46 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.00 1wxt s LYS 9 Cb -0.14 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1wxt s LYS 9 CO 0.19 0.10 0.09 -1.64 -0.92 0.00 0.00 175.35 173.18 1wxt s MET 10 N -0.72 1.04 0.32 1.68 -1.94 -0.92 -4.68 119.30 114.08 1wxt s MET 10 Ca -0.02 -1.50 0.09 0.00 -1.71 0.00 0.00 55.69 52.55 1wxt s MET 10 Cb -0.05 0.26 -0.05 0.00 2.01 0.00 0.00 34.83 37.00 1wxt s MET 10 CO 0.00 -0.32 0.04 1.14 -0.01 0.00 0.00 175.02 175.87 1wxt s GLN 11 N -4.09 2.19 -0.06 2.03 -2.07 -1.22 -1.39 119.66 115.05 1wxt s GLN 11 Ca 0.29 -1.62 -0.07 0.00 -1.82 0.00 0.00 55.36 52.15 1wxt s GLN 11 Cb 0.07 -2.04 -0.04 0.00 -1.09 0.00 0.00 33.01 29.90 1wxt s GLN 11 CO 0.06 0.19 0.20 0.08 -1.32 0.00 0.00 175.29 174.50 1wxt s VAL 12 N -2.45 5.41 -0.04 3.63 1.01 0.59 -2.39 120.40 126.16 1wxt s VAL 12 Ca 0.35 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1wxt s VAL 12 Cb -0.02 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 1wxt s VAL 12 CO 0.20 0.52 0.10 0.18 0.00 0.00 0.00 175.10 176.10 1wxt n LEU 13 N 1.63 0.00 -3.87 3.92 7.99 0.08 -1.29 117.00 125.45 1wxt n LEU 13 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.72 1wxt n LEU 13 Cb 0.54 0.08 -0.14 0.00 -0.11 0.00 0.00 43.42 43.79 1wxt n LEU 13 CO 0.36 0.08 -0.35 -0.31 -1.51 0.00 0.00 177.39 175.66 1wxt s TYR 14 N -2.36 -0.01 -0.14 -1.77 1.51 -1.26 -4.74 117.35 108.57 1wxt s TYR 14 Ca -0.03 0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 1wxt s TYR 14 Cb 0.04 0.00 -0.02 0.00 -0.11 0.00 0.00 41.96 41.87 1wxt s TYR 14 CO 0.30 -0.01 1.30 -2.00 -1.11 0.00 0.00 175.55 174.04 1wxt s GLU 15 N -0.01 4.24 -0.11 -0.62 2.12 -1.26 -4.56 118.70 118.49 1wxt s GLU 15 Ca -0.00 1.72 -0.00 0.00 0.36 0.00 0.00 54.97 57.05 1wxt s GLU 15 Cb -0.00 -3.77 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 1wxt s GLU 15 CO 0.00 -0.70 -0.09 0.12 -0.54 0.00 0.00 175.26 174.05 1wxt s PHE 16 N 3.43 2.89 -0.50 5.30 5.36 -1.03 -5.00 117.98 128.43 1wxt s PHE 16 Ca 0.57 -0.31 -0.17 0.00 -0.96 0.00 0.00 56.93 56.06 1wxt s PHE 16 Cb -0.23 -1.81 0.08 0.00 -0.34 0.00 0.00 43.02 40.71 1wxt s PHE 16 CO 0.17 0.03 0.49 -2.00 -1.46 0.00 0.00 175.22 172.45 1wxt s GLU 17 N -0.08 3.02 0.30 10.12 2.12 -1.26 -2.75 118.70 130.16 1wxt s GLU 17 Ca -0.00 -1.30 -0.29 0.00 0.36 0.00 0.00 54.97 53.74 1wxt s GLU 17 Cb -0.13 -4.16 -0.12 0.00 0.26 0.00 0.00 34.13 29.97 1wxt s GLU 17 CO 0.03 -1.16 1.38 0.00 -0.54 0.00 0.00 175.26 174.98 1wxt n ALA 18 N 5.52 1.47 -0.08 6.30 0.00 -1.26 -4.92 120.51 127.53 1wxt n ALA 18 Ca -0.11 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 1wxt n ALA 18 Cb 0.43 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 1wxt n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wxt n ARG 19 N 1.26 0.38 -2.32 0.00 1.74 -1.26 -4.92 116.66 111.54 1wxt n ARG 19 Ca 0.07 0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 1wxt n ARG 19 Cb 0.35 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 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 -5.70 6.26 0.00 0.55 0.01 -1.26 -4.93 114.94 109.86 1wxt s ASN 20 Ca -0.21 1.75 0.15 0.00 -0.71 0.00 0.00 52.86 53.84 1wxt s ASN 20 Cb 0.06 -2.53 0.73 0.00 0.41 0.00 0.00 41.25 39.91 1wxt s ASN 20 CO 0.35 -0.84 1.42 -0.81 -1.51 0.00 0.00 177.10 175.71 1wxt n PRO 21 N -1.55 0.18 -0.01 -0.60 -0.04 -1.26 -2.07 135.00 129.65 1wxt n PRO 21 Ca 0.08 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 1wxt n PRO 21 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.32 0.86 -1.68 0.54 1.85 -1.26 -4.99 116.66 110.65 1wxt n ARG 22 Ca 0.06 -0.10 -0.29 0.00 -1.00 0.00 0.00 57.85 56.52 1wxt n ARG 22 Cb 0.13 -1.37 0.21 0.00 -1.05 0.00 0.00 32.46 30.38 1wxt n ARG 22 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1wxt n GLU 23 N -1.85 -1.65 -3.79 2.89 1.02 -0.88 -3.69 120.64 112.69 1wxt n GLU 23 Ca -0.01 -1.94 -0.13 0.00 -0.02 0.00 0.00 57.16 55.06 1wxt n GLU 23 Cb 0.38 -1.39 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 1wxt n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1wxt s LEU 24 N 0.00 1.11 0.23 -4.62 2.96 -1.26 -4.59 118.68 112.51 1wxt s LEU 24 Ca 0.73 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.80 1wxt s LEU 24 Cb -0.03 0.81 -0.09 0.00 0.50 0.00 0.00 46.19 47.39 1wxt s LEU 24 CO 0.52 -0.10 0.91 -0.89 -1.32 0.00 0.00 176.35 175.47 1wxt s THR 25 N 0.05 4.14 0.05 3.68 2.01 -1.26 -4.35 115.64 119.96 1wxt s THR 25 Ca -0.01 1.99 0.01 0.00 0.31 0.00 0.00 61.69 64.00 1wxt s THR 25 Cb -0.02 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 1wxt s THR 25 CO 0.00 0.48 -0.06 0.68 -0.69 0.00 0.00 174.62 175.03 1wxt s VAL 26 N -1.21 0.47 0.31 3.82 -7.23 -1.11 -5.00 120.40 110.46 1wxt s VAL 26 Ca 0.41 -1.38 0.09 0.00 -1.81 0.00 0.00 61.98 59.29 1wxt s VAL 26 Cb -0.25 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 1wxt s VAL 26 CO 0.30 -0.61 0.06 0.68 -0.31 0.00 0.00 175.10 175.22 1wxt s VAL 27 N -2.33 3.15 0.76 1.32 -7.23 -1.26 -2.46 120.40 112.35 1wxt s VAL 27 Ca -0.03 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 1wxt s VAL 27 Cb -0.04 -2.89 0.06 0.00 0.56 0.00 0.00 36.38 34.07 1wxt s VAL 27 CO -0.03 -0.27 1.12 -1.58 -0.31 0.00 0.00 175.10 174.04 1wxt s GLN 28 N -3.75 2.15 -1.48 4.82 -0.44 -1.26 -3.47 119.66 116.22 1wxt s GLN 28 Ca 0.34 1.38 -0.12 0.00 -2.50 0.00 0.00 55.36 54.47 1wxt s GLN 28 Cb -0.04 -1.87 0.06 0.00 -1.64 0.00 0.00 33.01 29.52 1wxt s GLN 28 CO 0.21 -1.75 1.01 0.41 0.50 0.00 0.00 175.29 175.67 1wxt n GLY 29 N -0.53 -0.51 3.43 2.59 0.00 -0.42 -4.95 105.19 104.80 1wxt n GLY 29 Ca 0.11 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.49 1.85 -0.23 1.61 2.56 -1.23 -4.91 118.70 111.87 1wxt s GLU 30 Ca 0.63 -1.11 -0.07 0.00 0.00 0.00 0.00 54.97 54.42 1wxt s GLU 30 Cb -0.30 -2.09 -0.03 0.00 2.00 0.00 0.00 34.13 33.71 1wxt s GLU 30 CO 0.77 0.51 0.05 0.15 -0.56 0.00 0.00 175.26 176.18 1wxt s LYS 31 N -1.67 3.66 0.37 4.30 -0.14 -1.26 -0.30 119.74 124.70 1wxt s LYS 31 Ca 0.15 -0.48 0.04 0.00 -1.36 0.00 0.00 55.97 54.31 1wxt s LYS 31 Cb -0.10 -3.25 -0.05 0.00 -1.68 0.00 0.00 37.83 32.75 1wxt s LYS 31 CO 0.06 -0.10 0.08 -0.51 -0.76 0.00 0.00 175.35 174.11 1wxt s LEU 32 N 1.36 2.15 -0.15 3.17 1.43 -0.48 -4.94 118.68 121.22 1wxt s LEU 32 Ca 0.05 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 51.63 1wxt s LEU 32 Cb -0.15 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 1wxt s LEU 32 CO 0.03 -0.73 -0.10 -0.70 0.23 0.00 0.00 176.35 175.08 1wxt s GLU 33 N -3.82 3.43 0.35 1.70 2.12 -1.17 -2.17 118.70 119.13 1wxt s GLU 33 Ca 0.29 -0.65 -0.25 0.00 0.36 0.00 0.00 54.97 54.73 1wxt s GLU 33 Cb 0.06 -2.76 -0.10 0.00 0.26 0.00 0.00 34.13 31.60 1wxt s GLU 33 CO 0.14 0.13 0.96 0.08 -0.54 0.00 0.00 175.26 176.03 1wxt s VAL 34 N 0.60 4.17 0.00 3.70 1.01 -0.45 -1.85 120.40 127.58 1wxt s VAL 34 Ca -0.06 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1wxt s VAL 34 Cb -0.15 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1wxt s VAL 34 CO 0.03 0.07 0.00 0.18 0.00 0.00 0.00 175.10 175.38 1wxt n LEU 35 N 0.33 0.56 -3.87 3.92 4.77 0.12 -4.42 117.00 118.41 1wxt n LEU 35 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1wxt n LEU 35 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1wxt n LEU 35 CO 0.43 0.03 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.64 1wxt s ASP 36 N -4.74 4.22 -0.66 -1.43 -1.08 -1.20 -4.96 116.67 106.82 1wxt s ASP 36 Ca 0.00 -2.46 0.01 0.00 -0.52 0.00 0.00 52.55 49.57 1wxt s ASP 36 Cb 0.00 -1.36 0.39 0.00 -1.46 0.00 0.00 42.92 40.49 1wxt s ASP 36 CO 0.00 -0.31 1.69 0.00 0.52 0.00 0.00 175.17 177.07 1wxt n HIS 37 N 3.81 3.13 -0.00 -5.34 1.44 -1.26 -2.21 115.22 114.78 1wxt n HIS 37 Ca 0.05 -2.65 -0.02 0.00 -2.01 0.00 0.00 57.72 53.09 1wxt n HIS 37 Cb 0.37 -0.83 -0.01 0.00 0.12 0.00 0.00 29.99 29.64 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 -0.59 0.37 -4.83 4.39 7.64 -1.26 -5.07 113.62 114.27 1wxt n SER 38 Ca 0.50 0.05 -0.30 0.00 1.01 0.00 0.00 58.87 60.13 1wxt n SER 38 Cb 0.48 -0.13 0.06 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.05 2.64 0.02 1.43 1.02 -1.26 -4.96 119.74 116.58 1wxt s LYS 39 Ca -0.03 0.69 -0.03 0.00 0.02 0.00 0.00 55.97 56.62 1wxt s LYS 39 Cb 0.01 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1wxt s LYS 39 CO 0.04 -1.24 0.91 0.54 -0.92 0.00 0.00 175.35 174.67 1wxt n ARG 40 N -3.18 -0.05 -2.61 1.68 3.00 -1.26 -4.20 116.66 110.04 1wxt n ARG 40 Ca 0.07 0.90 -0.42 0.00 -0.01 0.00 0.00 57.85 58.40 1wxt n ARG 40 Cb 0.56 -1.35 -0.03 0.00 0.00 0.00 0.00 32.46 31.63 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1wxt s TRP 41 N -3.30 3.63 0.12 -1.55 0.52 -1.26 -4.41 118.94 112.68 1wxt s TRP 41 Ca -0.01 1.61 -0.13 0.00 0.02 0.00 0.00 56.10 57.59 1wxt s TRP 41 Cb 0.01 -3.21 -0.06 0.00 -1.15 0.00 0.00 33.47 29.06 1wxt s TRP 41 CO 0.07 -0.38 0.50 -1.58 0.02 0.00 0.00 176.95 175.58 1wxt s TRP 42 N 0.61 3.60 -0.17 -1.98 0.52 0.82 -4.82 118.94 117.52 1wxt s TRP 42 Ca 0.52 0.97 -0.09 0.00 0.02 0.00 0.00 56.10 57.52 1wxt s TRP 42 Cb -0.25 -2.30 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 1wxt s TRP 42 CO 0.30 0.46 0.12 -1.17 0.02 0.00 0.00 176.95 176.68 1wxt s LEU 43 N -1.92 4.18 0.16 2.99 2.96 -0.94 0.26 118.68 126.37 1wxt s LEU 43 Ca 0.36 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.54 1wxt s LEU 43 Cb -0.15 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1wxt s LEU 43 CO 0.19 0.24 0.02 0.68 -1.32 0.00 0.00 176.35 176.16 1wxt s VAL 44 N -0.04 0.48 0.10 1.68 -7.23 -1.06 0.12 120.40 114.45 1wxt s VAL 44 Ca 0.09 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.35 1wxt s VAL 44 Cb -0.11 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1wxt s VAL 44 CO -0.00 -0.48 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.45 1wxt s LYS 45 N -3.96 0.87 0.48 4.82 2.20 -0.77 -1.21 119.74 122.17 1wxt s LYS 45 Ca 0.24 -1.14 0.05 0.00 -0.36 0.00 0.00 55.97 54.76 1wxt s LYS 45 Cb 0.07 -0.63 -0.01 0.00 -1.51 0.00 0.00 37.83 35.74 1wxt s LYS 45 CO 0.03 0.11 0.21 0.54 -0.36 0.00 0.00 175.35 175.88 1wxt s ASN 46 N -2.35 4.43 0.14 1.43 2.20 -0.90 -3.06 114.94 116.84 1wxt s ASN 46 Ca 0.05 -1.26 -0.26 0.00 -0.94 0.00 0.00 52.86 50.44 1wxt s ASN 46 Cb -0.04 0.04 -0.01 0.00 -2.00 0.00 0.00 41.25 39.24 1wxt s ASN 46 CO 0.01 -0.80 1.60 -0.33 -2.94 0.00 0.00 177.10 174.64 1wxt h GLU 47 N 1.19 -0.37 -1.28 3.55 5.08 -1.92 0.09 114.58 120.92 1wxt h GLU 47 Ca -0.41 0.02 0.45 0.00 -1.00 0.00 0.00 59.36 58.43 1wxt h GLU 47 Cb 1.28 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.48 1wxt h GLU 47 CO 0.67 -0.24 0.81 0.00 -1.00 0.00 0.00 179.01 179.24 1wxt n ALA 48 N -2.93 1.27 0.00 3.43 0.00 -1.26 -4.73 120.51 116.30 1wxt n ALA 48 Ca -0.02 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1wxt n ALA 48 Cb 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1wxt n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxt n GLY 49 N -1.46 1.07 3.74 0.00 0.00 0.02 -5.10 105.19 103.46 1wxt n GLY 49 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.43 4.24 -0.13 1.61 0.52 -1.26 -4.85 118.95 118.66 1wxt s ARG 50 Ca 0.00 0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1wxt s ARG 50 Cb 0.00 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 1wxt s ARG 50 CO 0.00 0.27 -0.10 -1.54 0.02 0.00 0.00 175.30 173.95 1wxt s SER 51 N 0.34 4.31 0.07 0.23 1.04 -1.26 -2.11 113.70 116.33 1wxt s SER 51 Ca 0.21 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1wxt s SER 51 Cb -0.14 -1.60 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 1wxt s SER 51 CO 0.07 0.19 -0.11 -0.83 0.98 0.00 0.00 173.24 173.54 1wxt s GLY 52 N 0.22 0.76 -0.38 7.32 0.00 -0.35 -4.76 107.32 110.14 1wxt s GLY 52 Ca -0.06 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 1wxt s GLY 52 CO 0.04 -1.05 1.33 -0.19 0.00 0.00 0.00 173.10 173.23 1wxt s TYR 53 N -1.72 2.58 0.14 1.90 2.02 -1.24 -2.56 117.35 118.48 1wxt s TYR 53 Ca -0.02 0.77 0.10 0.00 -0.37 0.00 0.00 57.07 57.55 1wxt s TYR 53 Cb -0.07 -4.16 -0.04 0.00 -0.40 0.00 0.00 41.96 37.29 1wxt s TYR 53 CO 0.01 -1.76 -0.21 0.96 -1.57 0.00 0.00 175.55 172.98 1wxt s ILE 54 N 4.86 2.59 0.37 2.71 -4.36 0.14 -4.52 121.20 122.99 1wxt s ILE 54 Ca 0.57 -1.71 -0.26 0.00 -0.26 0.00 0.00 60.65 58.99 1wxt s ILE 54 Cb -0.14 -2.20 -0.09 0.00 1.25 0.00 0.00 42.46 41.28 1wxt s ILE 54 CO 0.28 0.03 1.20 -2.16 0.24 0.00 0.00 174.94 174.54 1wxt s PRO 55 N -2.29 4.17 0.00 0.37 0.04 -1.26 -0.13 135.00 135.91 1wxt s PRO 55 Ca 0.18 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.26 1wxt s PRO 55 Cb -0.10 -2.82 0.60 0.00 0.04 0.00 0.00 34.50 32.22 1wxt s PRO 55 CO 0.09 -0.25 1.22 -1.13 0.04 0.00 0.00 177.00 176.98 1wxt n SER 56 N 0.35 0.00 0.10 6.66 3.41 -1.26 -2.80 113.62 120.08 1wxt n SER 56 Ca 0.03 -1.29 0.05 0.00 -0.26 0.00 0.00 58.87 57.40 1wxt n SER 56 Cb 0.45 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1wxt n SER 56 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1wxt h ASN 57 N 0.00 0.00 -0.31 4.04 -1.24 -1.94 -3.27 115.58 112.86 1wxt h ASN 57 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1wxt h ASN 57 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1wxt h ASN 57 CO 0.00 0.35 0.00 2.30 -1.29 0.00 0.00 177.43 178.79 1wxt n ILE 58 N -2.96 0.39 -4.45 2.57 -5.35 -1.12 -4.89 119.36 103.54 1wxt n ILE 58 Ca -0.02 -0.62 -0.34 0.00 -0.27 0.00 0.00 62.75 61.50 1wxt n ILE 58 Cb 0.70 0.84 -0.12 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.54 3.26 0.19 7.28 1.43 -1.24 -0.74 118.68 127.31 1wxt s LEU 59 Ca 0.36 -0.08 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1wxt s LEU 59 Cb 0.21 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1wxt s LEU 59 CO 0.30 0.23 -0.20 -1.61 0.23 0.00 0.00 176.35 175.30 1wxt s GLU 60 N -0.02 1.39 -0.83 1.70 0.41 -1.00 -4.97 118.70 115.38 1wxt s GLU 60 Ca 0.01 -1.49 -0.25 0.00 -0.41 0.00 0.00 54.97 52.83 1wxt s GLU 60 Cb -0.13 -1.53 -0.04 0.00 -1.78 0.00 0.00 34.13 30.65 1wxt s GLU 60 CO 0.03 0.31 1.93 -1.25 -0.49 0.00 0.00 175.26 175.79 1wxt s PRO 61 N -2.86 2.57 0.11 0.39 0.04 -1.26 -3.44 135.00 130.56 1wxt s PRO 61 Ca 0.19 -0.06 -0.22 0.00 0.04 0.00 0.00 61.00 60.95 1wxt s PRO 61 Cb -0.06 -4.89 -0.05 0.00 0.04 0.00 0.00 34.50 29.54 1wxt s PRO 61 CO 0.08 -3.22 1.20 1.28 0.04 0.00 0.00 177.00 176.38 1wxt n LEU 62 N 13.69 -0.74 -0.25 -3.56 4.77 -1.26 0.88 117.00 130.53 1wxt n LEU 62 Ca 0.35 1.37 0.05 0.00 -0.03 0.00 0.00 56.01 57.75 1wxt n LEU 62 Cb 0.48 -0.22 0.18 0.00 -2.33 0.00 0.00 43.42 41.53 1wxt n LEU 62 CO 0.63 -1.07 0.93 0.77 -1.33 0.00 0.00 177.39 177.31 1wxt h SER 63 N 0.00 0.01 -3.85 -1.43 4.64 -1.93 -3.48 113.55 107.51 1wxt h SER 63 Ca 0.11 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1wxt h SER 63 Cb 0.29 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1wxt h SER 63 CO -0.65 -0.04 0.00 0.61 -0.87 0.00 0.00 176.83 175.88 1wxt n GLY 64 N -1.35 -2.07 0.27 -0.77 0.00 0.25 -4.73 105.19 96.80 1wxt n GLY 64 Ca 0.14 -1.32 0.16 0.00 0.00 0.00 0.00 46.02 45.00 1wxt n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxt h PRO 65 N 0.00 0.00 -5.88 1.61 0.13 -1.93 -3.40 132.00 122.53 1wxt h PRO 65 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1wxt h PRO 65 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1wxt h PRO 65 CO 0.00 0.04 1.07 -1.12 -0.23 0.00 0.00 178.00 177.77 1wxt s SER 66 N -5.77 5.72 -0.29 1.44 0.01 -1.26 -4.87 113.70 108.68 1wxt s SER 66 Ca 0.01 -1.03 -0.14 0.00 1.31 0.00 0.00 55.95 56.09 1wxt s SER 66 Cb 0.09 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.86 1wxt s SER 66 CO 0.55 -2.22 0.69 -0.55 0.41 0.00 0.00 173.24 172.13 1wxt s SER 67 N 6.70 -1.00 0.00 2.44 0.15 -1.26 -5.16 113.70 115.57 1wxt s SER 67 Ca 0.60 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.75 1wxt s SER 67 Cb -0.04 1.74 0.00 0.00 -1.71 0.00 0.00 66.02 66.01 1wxt s SER 67 CO -0.04 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.78