#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 4.57 -0.52 1.61 0.01 -1.26 -5.04 113.70 113.07 1wxt s SER 2 Ca 0.00 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1wxt s SER 2 Cb 0.00 -0.93 0.43 0.00 0.21 0.00 0.00 66.02 65.72 1wxt s SER 2 CO 0.00 0.16 1.52 -1.54 0.41 0.00 0.00 173.24 173.79 1wxt n SER 3 N 0.55 5.99 -3.71 2.44 3.41 -1.26 -4.94 113.62 116.11 1wxt n SER 3 Ca -0.12 -3.77 -0.27 0.00 -0.26 0.00 0.00 58.87 54.45 1wxt n SER 3 Cb 0.53 -0.65 -0.17 0.00 -0.26 0.00 0.00 64.21 63.65 1wxt n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wxt s GLY 4 N -2.71 0.62 -0.09 5.00 0.00 -1.26 -5.13 107.32 103.75 1wxt s GLY 4 Ca 0.54 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.69 1wxt s GLY 4 CO -0.12 1.47 -0.14 -0.45 0.00 0.00 0.00 173.10 173.86 1wxt s SER 5 N 1.92 4.02 0.02 1.64 0.15 -1.26 -5.12 113.70 115.07 1wxt s SER 5 Ca 0.00 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.46 1wxt s SER 5 Cb -0.17 -1.26 -0.02 0.00 -1.71 0.00 0.00 66.02 62.86 1wxt s SER 5 CO -0.08 0.25 -0.24 -0.94 1.20 0.00 0.00 173.24 173.43 1wxt s SER 6 N -0.15 2.79 0.06 5.45 1.04 -1.26 -5.14 113.70 116.50 1wxt s SER 6 Ca -0.01 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 1wxt s SER 6 Cb -0.13 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.69 1wxt s SER 6 CO 0.03 0.24 0.08 -0.83 0.98 0.00 0.00 173.24 173.75 1wxt s GLY 7 N -0.93 0.26 -0.29 7.32 0.00 -1.26 -5.14 107.32 107.28 1wxt s GLY 7 Ca 0.09 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 1wxt s GLY 7 CO 0.01 -0.99 0.04 -2.27 0.00 0.00 0.00 173.10 169.88 1wxt s LEU 8 N -2.74 3.80 0.05 0.66 1.98 -1.26 -5.08 118.68 116.09 1wxt s LEU 8 Ca 0.04 -0.95 0.09 0.00 -2.89 0.00 0.00 54.13 50.42 1wxt s LEU 8 Cb 0.05 -1.79 -0.03 0.00 0.66 0.00 0.00 46.19 45.08 1wxt s LEU 8 CO -0.09 -0.22 -0.26 -0.54 -1.89 0.00 0.00 176.35 173.35 1wxt s LYS 9 N 1.39 1.70 0.16 1.98 1.02 -1.26 -0.33 119.74 124.41 1wxt s LYS 9 Ca -0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 1wxt s LYS 9 Cb -0.18 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1wxt s LYS 9 CO 0.00 0.49 0.14 -1.64 -0.92 0.00 0.00 175.35 173.42 1wxt s MET 10 N -1.30 1.07 0.07 1.68 -1.94 -0.95 -4.34 119.30 113.58 1wxt s MET 10 Ca 0.11 -1.43 0.08 0.00 -1.71 0.00 0.00 55.69 52.75 1wxt s MET 10 Cb -0.10 0.29 -0.03 0.00 2.01 0.00 0.00 34.83 36.99 1wxt s MET 10 CO 0.02 -0.34 -0.20 1.14 -0.01 0.00 0.00 175.02 175.64 1wxt s GLN 11 N -4.06 1.90 0.20 2.03 -2.07 -0.94 -2.16 119.66 114.55 1wxt s GLN 11 Ca 0.26 -1.09 -0.30 0.00 -1.82 0.00 0.00 55.36 52.42 1wxt s GLN 11 Cb 0.06 -2.12 -0.08 0.00 -1.09 0.00 0.00 33.01 29.78 1wxt s GLN 11 CO 0.04 0.51 1.03 0.08 -1.32 0.00 0.00 175.29 175.63 1wxt s VAL 12 N -0.99 3.99 -0.14 3.63 1.01 0.62 -0.08 120.40 128.44 1wxt s VAL 12 Ca 0.15 1.82 0.12 0.00 0.00 0.00 0.00 61.98 64.07 1wxt s VAL 12 Cb -0.10 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 1wxt s VAL 12 CO 0.06 0.36 0.03 -0.11 0.00 0.00 0.00 175.10 175.45 1wxt n LEU 13 N 2.03 0.22 -3.82 3.92 7.94 0.77 -1.25 117.00 126.81 1wxt n LEU 13 Ca 0.01 -0.01 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 1wxt n LEU 13 Cb 0.47 0.28 -0.16 0.00 0.53 0.00 0.00 43.42 44.53 1wxt n LEU 13 CO 0.52 0.38 -0.37 -0.31 -1.11 0.00 0.00 177.39 176.50 1wxt s TYR 14 N -2.34 0.29 0.31 1.96 2.02 -1.26 -4.71 117.35 113.62 1wxt s TYR 14 Ca -0.08 0.01 -0.28 0.00 -0.37 0.00 0.00 57.07 56.34 1wxt s TYR 14 Cb 0.04 -0.38 -0.13 0.00 -0.40 0.00 0.00 41.96 41.09 1wxt s TYR 14 CO 0.57 -0.12 1.24 -1.91 -1.57 0.00 0.00 175.55 173.75 1wxt n GLU 15 N 4.09 1.92 -4.34 -0.62 2.13 -1.26 -4.63 120.64 117.93 1wxt n GLU 15 Ca -0.27 0.67 -0.21 0.00 0.66 0.00 0.00 57.16 58.02 1wxt n GLU 15 Cb 0.51 -2.21 -0.16 0.00 0.27 0.00 0.00 31.44 29.84 1wxt n GLU 15 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1wxt s PHE 16 N -0.94 0.94 -0.36 4.31 5.36 -1.00 -4.94 117.98 121.35 1wxt s PHE 16 Ca 0.58 -0.27 -0.10 0.00 -0.96 0.00 0.00 56.93 56.18 1wxt s PHE 16 Cb -0.61 -0.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 1wxt s PHE 16 CO 0.60 -0.16 0.18 -2.00 -1.46 0.00 0.00 175.22 172.38 1wxt s GLU 17 N 0.51 2.87 0.31 10.12 2.12 -1.26 -1.45 118.70 131.92 1wxt s GLU 17 Ca -0.08 -1.04 -0.28 0.00 0.36 0.00 0.00 54.97 53.93 1wxt s GLU 17 Cb -0.12 -3.65 -0.13 0.00 0.26 0.00 0.00 34.13 30.49 1wxt s GLU 17 CO 0.01 -0.64 1.17 0.00 -0.54 0.00 0.00 175.26 175.26 1wxt n ALA 18 N 4.96 0.60 -0.00 6.30 0.00 -1.26 -4.91 120.51 126.19 1wxt n ALA 18 Ca -0.12 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 1wxt n ALA 18 Cb 0.46 -2.15 -0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 0.69 1.53 -2.50 0.00 1.74 -1.26 -4.93 116.66 111.93 1wxt n ARG 19 Ca 0.07 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.89 1wxt n ARG 19 Cb 0.34 -1.01 0.02 0.00 -1.02 0.00 0.00 32.46 30.79 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 -3.67 5.80 0.00 0.55 0.01 -1.26 -4.96 114.94 111.41 1wxt s ASN 20 Ca -0.01 0.75 0.14 0.00 -0.71 0.00 0.00 52.86 53.03 1wxt s ASN 20 Cb 0.00 -1.85 0.62 0.00 0.41 0.00 0.00 41.25 40.43 1wxt s ASN 20 CO 0.02 -0.90 1.45 -0.81 -1.51 0.00 0.00 177.10 175.34 1wxt n PRO 21 N -2.46 0.02 -0.26 -0.60 -0.04 -1.26 -2.16 135.00 128.25 1wxt n PRO 21 Ca 0.03 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 1wxt n PRO 21 Cb 0.57 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.48 2.02 -4.21 0.54 1.85 -1.26 -5.01 116.66 109.11 1wxt n ARG 22 Ca 0.04 -2.73 -0.29 0.00 -1.00 0.00 0.00 57.85 53.87 1wxt n ARG 22 Cb 0.16 -1.66 -0.09 0.00 -1.05 0.00 0.00 32.46 29.81 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 -2.88 2.20 -0.05 2.89 2.02 -0.92 -2.01 118.70 119.96 1wxt s GLU 23 Ca 0.37 -1.01 0.06 0.00 0.02 0.00 0.00 54.97 54.40 1wxt s GLU 23 Cb 0.31 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 1wxt s GLU 23 CO 0.05 0.51 -0.23 -1.17 0.02 0.00 0.00 175.26 174.44 1wxt s LEU 24 N -2.29 2.03 0.61 1.80 2.96 -1.26 -4.82 118.68 117.70 1wxt s LEU 24 Ca 0.23 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 1wxt s LEU 24 Cb -0.11 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1wxt s LEU 24 CO 0.15 0.23 1.07 -0.89 -1.32 0.00 0.00 176.35 175.58 1wxt s THR 25 N -0.15 3.67 0.20 3.68 2.01 -1.26 -4.37 115.64 119.42 1wxt s THR 25 Ca -0.03 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 62.62 1wxt s THR 25 Cb -0.13 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.08 1wxt s THR 25 CO 0.03 -0.46 0.47 0.68 -0.69 0.00 0.00 174.62 174.65 1wxt s VAL 26 N -2.41 0.03 0.11 3.82 -7.23 -0.53 -4.95 120.40 109.24 1wxt s VAL 26 Ca 0.65 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.89 1wxt s VAL 26 Cb -0.17 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1wxt s VAL 26 CO 0.37 -0.14 -0.17 0.68 -0.31 0.00 0.00 175.10 175.53 1wxt s VAL 27 N -3.91 1.49 0.54 1.32 -7.23 -1.26 -2.36 120.40 108.98 1wxt s VAL 27 Ca 0.12 -1.59 -0.21 0.00 -1.81 0.00 0.00 61.98 58.49 1wxt s VAL 27 Cb -0.00 -1.48 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 1wxt s VAL 27 CO -0.01 -0.23 1.16 1.67 -0.31 0.00 0.00 175.10 177.39 1wxt n GLN 28 N 0.87 1.39 0.00 4.82 7.27 -1.26 -1.62 117.38 128.85 1wxt n GLN 28 Ca -0.18 0.51 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1wxt n GLN 28 Cb 0.55 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.86 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 1.01 2.71 3.77 1.69 0.00 -0.38 -4.97 105.19 109.01 1wxt n GLY 29 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 4.24 -0.04 1.61 2.56 -0.64 -4.74 118.70 121.70 1wxt s GLU 30 Ca 0.00 1.67 -0.02 0.00 0.00 0.00 0.00 54.97 56.62 1wxt s GLU 30 Cb 0.00 -2.73 -0.04 0.00 2.00 0.00 0.00 34.13 33.37 1wxt s GLU 30 CO 0.00 -0.11 0.07 0.15 -0.56 0.00 0.00 175.26 174.81 1wxt s LYS 31 N -2.20 3.11 0.03 4.30 -0.14 -1.26 -0.27 119.74 123.30 1wxt s LYS 31 Ca 0.55 -0.41 -0.12 0.00 -1.36 0.00 0.00 55.97 54.62 1wxt s LYS 31 Cb -0.27 -2.90 0.01 0.00 -1.68 0.00 0.00 37.83 33.00 1wxt s LYS 31 CO 0.34 0.68 0.26 -0.51 -0.76 0.00 0.00 175.35 175.35 1wxt s LEU 32 N -1.46 1.08 -0.19 3.17 1.43 -0.92 -4.97 118.68 116.83 1wxt s LEU 32 Ca 0.20 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 1wxt s LEU 32 Cb -0.12 1.16 -0.04 0.00 0.03 0.00 0.00 46.19 47.21 1wxt s LEU 32 CO 0.10 -0.54 0.32 -0.70 0.23 0.00 0.00 176.35 175.75 1wxt s GLU 33 N -2.22 4.20 0.37 1.70 2.12 -1.20 -2.23 118.70 121.43 1wxt s GLU 33 Ca -0.08 0.08 -0.25 0.00 0.36 0.00 0.00 54.97 55.09 1wxt s GLU 33 Cb -0.02 -3.49 -0.10 0.00 0.26 0.00 0.00 34.13 30.78 1wxt s GLU 33 CO -0.02 0.10 0.99 0.08 -0.54 0.00 0.00 175.26 175.88 1wxt s VAL 34 N 0.89 4.03 0.08 3.70 1.01 0.56 -1.68 120.40 128.98 1wxt s VAL 34 Ca 0.16 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1wxt s VAL 34 Cb -0.14 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1wxt s VAL 34 CO 0.06 0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.36 1wxt n LEU 35 N 0.15 0.70 -4.01 3.92 4.77 0.18 -4.53 117.00 118.19 1wxt n LEU 35 Ca 0.04 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 1wxt n LEU 35 Cb 0.50 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 1wxt n LEU 35 CO 0.44 -0.53 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.04 1wxt s ASP 36 N -5.64 4.69 -0.04 -1.43 2.15 -1.16 -4.92 116.67 110.32 1wxt s ASP 36 Ca 0.00 -2.31 0.19 0.00 0.43 0.00 0.00 52.55 50.86 1wxt s ASP 36 Cb 0.00 -1.63 0.62 0.00 -0.30 0.00 0.00 42.92 41.60 1wxt s ASP 36 CO 0.00 -0.35 1.52 0.00 -0.17 0.00 0.00 175.17 176.17 1wxt n HIS 37 N 4.04 1.06 0.09 -5.34 1.44 -1.26 -1.76 115.22 113.49 1wxt n HIS 37 Ca 0.04 -0.55 -0.12 0.00 -2.01 0.00 0.00 57.72 55.08 1wxt n HIS 37 Cb 0.40 -0.09 -0.08 0.00 0.12 0.00 0.00 29.99 30.34 1wxt n HIS 37 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wxt h SER 38 N 3.81 -0.24 -4.15 4.39 0.87 -1.91 -3.46 113.55 112.87 1wxt h SER 38 Ca 0.00 -0.28 -0.46 0.00 -1.23 0.00 0.00 61.79 59.82 1wxt h SER 38 Cb 1.11 0.06 0.14 0.00 -0.44 0.00 0.00 62.40 63.26 1wxt h SER 38 CO 0.08 0.21 0.28 -0.75 -0.53 0.00 0.00 176.83 176.12 1wxt s LYS 39 N -4.12 1.04 0.21 2.24 2.20 -1.26 -4.95 119.74 115.10 1wxt s LYS 39 Ca -0.14 0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.76 1wxt s LYS 39 Cb 0.01 -1.82 0.28 0.00 -1.51 0.00 0.00 37.83 34.80 1wxt s LYS 39 CO 0.53 -2.29 1.73 0.00 -0.36 0.00 0.00 175.35 174.97 1wxt h ARG 40 N -1.56 0.35 -5.44 4.03 2.47 -1.95 -3.38 114.38 108.90 1wxt h ARG 40 Ca -0.51 -0.02 -0.62 0.00 -1.26 0.00 0.00 59.98 57.57 1wxt h ARG 40 Cb 1.33 -0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 29.44 1wxt h ARG 40 CO 0.61 0.23 0.08 -1.58 0.56 0.00 0.00 179.97 179.87 1wxt s TRP 41 N -6.10 3.26 -0.04 3.04 0.52 -1.26 -4.13 118.94 114.22 1wxt s TRP 41 Ca -0.13 0.67 -0.29 0.00 0.02 0.00 0.00 56.10 56.37 1wxt s TRP 41 Cb 0.17 -2.83 -0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1wxt s TRP 41 CO 0.74 -0.35 0.96 -1.58 0.02 0.00 0.00 176.95 176.74 1wxt s TRP 42 N 2.45 3.60 -0.29 -1.98 0.52 0.36 -4.74 118.94 118.86 1wxt s TRP 42 Ca 0.24 1.61 -0.21 0.00 0.02 0.00 0.00 56.10 57.76 1wxt s TRP 42 Cb -0.15 -3.11 -0.01 0.00 -1.15 0.00 0.00 33.47 29.05 1wxt s TRP 42 CO 0.10 -0.07 0.65 -1.17 0.02 0.00 0.00 176.95 176.47 1wxt s LEU 43 N 1.33 4.11 0.41 2.99 2.96 -0.72 -1.41 118.68 128.36 1wxt s LEU 43 Ca 0.49 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 55.03 1wxt s LEU 43 Cb -0.20 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 1wxt s LEU 43 CO 0.23 -0.46 0.17 0.68 -1.32 0.00 0.00 176.35 175.66 1wxt s VAL 44 N 2.62 2.29 0.05 1.68 -7.23 -1.05 0.47 120.40 119.23 1wxt s VAL 44 Ca 0.26 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1wxt s VAL 44 Cb -0.15 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 1wxt s VAL 44 CO 0.11 0.00 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.05 1wxt s LYS 45 N -3.90 0.64 0.52 4.82 2.20 -0.67 -1.68 119.74 121.66 1wxt s LYS 45 Ca 0.41 -0.84 0.07 0.00 -0.36 0.00 0.00 55.97 55.25 1wxt s LYS 45 Cb 0.04 -0.48 0.07 0.00 -1.51 0.00 0.00 37.83 35.95 1wxt s LYS 45 CO 0.22 0.10 0.57 0.27 -0.36 0.00 0.00 175.35 176.15 1wxt n ASN 46 N 1.37 2.28 -0.05 1.43 0.23 -0.86 -3.26 115.26 116.40 1wxt n ASN 46 Ca -0.22 -2.58 -0.03 0.00 -0.53 0.00 0.00 54.58 51.22 1wxt n ASN 46 Cb 0.55 -0.23 0.22 0.00 -2.08 0.00 0.00 39.78 38.24 1wxt n ASN 46 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wxt h GLU 47 N 0.00 0.65 0.00 -3.83 5.08 -1.93 -2.35 114.58 112.19 1wxt h GLU 47 Ca -0.29 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1wxt h GLU 47 Cb 1.17 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wxt h GLU 47 CO 0.43 0.69 -0.05 0.00 -1.00 0.00 0.00 179.01 179.08 1wxt h ALA 48 N 1.35 1.78 0.00 3.43 0.00 -2.04 -3.45 119.26 120.32 1wxt h ALA 48 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wxt h ALA 48 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wxt h ALA 48 CO 0.02 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1wxt n GLY 49 N -1.32 0.76 3.68 0.00 0.00 -0.89 -5.09 105.19 102.33 1wxt n GLY 49 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.49 4.27 -0.18 1.61 0.52 -1.26 -4.81 118.95 118.62 1wxt s ARG 50 Ca 0.00 0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 55.86 1wxt s ARG 50 Cb 0.00 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 1wxt s ARG 50 CO 0.00 -0.15 -0.07 -1.54 0.02 0.00 0.00 175.30 173.56 1wxt s SER 51 N 1.06 4.35 0.15 0.23 1.04 -1.26 -2.02 113.70 117.26 1wxt s SER 51 Ca 0.31 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.52 1wxt s SER 51 Cb -0.16 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 1wxt s SER 51 CO 0.12 0.09 -0.19 -0.83 0.98 0.00 0.00 173.24 173.41 1wxt s GLY 52 N 0.84 1.36 -0.20 7.32 0.00 -0.68 -4.79 107.32 111.17 1wxt s GLY 52 Ca -0.02 -1.45 -0.29 0.00 0.00 0.00 0.00 44.72 42.96 1wxt s GLY 52 CO 0.01 -1.49 1.16 -0.19 0.00 0.00 0.00 173.10 172.59 1wxt s TYR 53 N -1.92 3.07 0.07 1.90 2.02 -0.85 -2.53 117.35 119.11 1wxt s TYR 53 Ca 0.14 1.22 0.06 0.00 -0.37 0.00 0.00 57.07 58.12 1wxt s TYR 53 Cb -0.06 -3.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 1wxt s TYR 53 CO 0.06 -1.14 -0.17 0.96 -1.57 0.00 0.00 175.55 173.69 1wxt s ILE 54 N 3.37 1.38 0.21 2.71 -4.36 -0.50 -4.43 121.20 119.59 1wxt s ILE 54 Ca 0.50 -1.28 -0.30 0.00 -0.26 0.00 0.00 60.65 59.31 1wxt s ILE 54 Cb -0.19 -1.26 -0.09 0.00 1.25 0.00 0.00 42.46 42.18 1wxt s ILE 54 CO 0.11 -0.05 1.30 -2.16 0.24 0.00 0.00 174.94 174.38 1wxt s PRO 55 N -1.54 4.40 0.04 0.37 0.04 -1.26 -0.49 135.00 136.56 1wxt s PRO 55 Ca 0.03 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.21 1wxt s PRO 55 Cb -0.09 -3.19 0.42 0.00 0.04 0.00 0.00 34.50 31.68 1wxt s PRO 55 CO 0.02 -0.23 1.30 -1.13 0.04 0.00 0.00 177.00 177.01 1wxt n SER 56 N 2.48 0.09 0.14 6.66 3.41 -1.26 -1.98 113.62 123.16 1wxt n SER 56 Ca 0.05 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1wxt n SER 56 Cb 0.43 -0.55 0.29 0.00 -0.26 0.00 0.00 64.21 64.13 1wxt n SER 56 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1wxt h ASN 57 N 0.00 0.13 -0.42 4.04 2.35 -1.91 -2.30 115.58 117.47 1wxt h ASN 57 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1wxt h ASN 57 Cb 0.14 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1wxt h ASN 57 CO 0.00 0.50 0.00 2.30 -1.65 0.00 0.00 177.43 178.58 1wxt n ILE 58 N -4.07 0.55 -4.38 2.81 -5.35 -0.83 -4.86 119.36 103.22 1wxt n ILE 58 Ca -0.02 -0.60 -0.34 0.00 -0.27 0.00 0.00 62.75 61.53 1wxt n ILE 58 Cb 0.43 0.39 -0.11 0.00 -1.74 0.00 0.00 39.64 38.61 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 -1.14 3.38 0.21 7.28 1.43 -0.87 -0.17 118.68 128.80 1wxt s LEU 59 Ca 0.33 -0.03 0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1wxt s LEU 59 Cb 0.17 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1wxt s LEU 59 CO 0.23 0.24 -0.19 -1.61 0.23 0.00 0.00 176.35 175.26 1wxt s GLU 60 N -0.08 1.70 -0.94 1.70 0.41 0.88 -4.92 118.70 117.46 1wxt s GLU 60 Ca 0.03 -1.50 -0.24 0.00 -0.41 0.00 0.00 54.97 52.84 1wxt s GLU 60 Cb -0.13 -1.92 -0.05 0.00 -1.78 0.00 0.00 34.13 30.25 1wxt s GLU 60 CO 0.02 0.40 1.94 -1.25 -0.49 0.00 0.00 175.26 175.88 1wxt s PRO 61 N -2.88 2.55 0.35 0.39 0.04 -1.26 -2.22 135.00 131.97 1wxt s PRO 61 Ca 0.24 -0.41 -0.27 0.00 0.04 0.00 0.00 61.00 60.60 1wxt s PRO 61 Cb -0.08 -5.09 -0.09 0.00 0.04 0.00 0.00 34.50 29.29 1wxt s PRO 61 CO 0.12 -3.45 1.13 -1.17 0.04 0.00 0.00 177.00 173.67 1wxt s LEU 62 N 10.19 4.33 -0.23 -3.56 2.96 -1.26 -4.97 118.68 126.14 1wxt s LEU 62 Ca 0.70 2.28 -0.03 0.00 -0.22 0.00 0.00 54.13 56.86 1wxt s LEU 62 Cb -0.06 -3.88 0.11 0.00 0.50 0.00 0.00 46.19 42.86 1wxt s LEU 62 CO 0.01 -0.43 0.25 -0.94 -1.32 0.00 0.00 176.35 173.92 1wxt s SER 63 N -1.08 1.42 0.48 3.68 1.04 -1.26 -4.92 113.70 113.06 1wxt s SER 63 Ca 0.52 -0.33 -0.21 0.00 0.48 0.00 0.00 55.95 56.40 1wxt s SER 63 Cb -0.30 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.19 1wxt s SER 63 CO 0.38 -0.34 1.09 -0.83 0.98 0.00 0.00 173.24 174.52 1wxt s GLY 64 N 2.34 2.63 0.06 7.32 0.00 -1.26 -4.98 107.32 113.45 1wxt s GLY 64 Ca 0.08 0.74 -0.18 0.00 0.00 0.00 0.00 44.72 45.36 1wxt s GLY 64 CO -0.18 1.11 1.37 -0.56 0.00 0.00 0.00 173.10 174.85 1wxt h PRO 65 N 1.74 0.49 -6.99 2.90 0.13 -2.01 -3.46 132.00 124.81 1wxt h PRO 65 Ca -0.49 -0.26 -0.45 0.00 -0.87 0.00 0.00 66.00 63.93 1wxt h PRO 65 Cb 1.23 0.01 0.22 0.00 0.13 0.00 0.00 31.00 32.60 1wxt h PRO 65 CO 0.59 0.83 -0.33 0.43 -0.23 0.00 0.00 178.00 179.30 1wxt n SER 66 N -4.44 -1.87 -0.29 1.44 7.64 -1.26 -4.86 113.62 109.99 1wxt n SER 66 Ca -0.05 -0.12 -0.01 0.00 1.01 0.00 0.00 58.87 59.70 1wxt n SER 66 Cb 0.40 -1.18 0.05 0.00 -1.01 0.00 0.00 64.21 62.47 1wxt n SER 66 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wxt h SER 67 N -2.46 -1.12 0.00 6.43 0.87 -2.05 -3.54 113.55 111.68 1wxt h SER 67 Ca -0.58 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1wxt h SER 67 Cb 1.34 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1wxt h SER 67 CO 0.45 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.07