#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxm n SER 2 N 0.00 -7.85 -4.17 1.61 7.64 -1.26 -5.07 113.62 104.52 1wxm n SER 2 Ca 0.00 1.65 -0.12 0.00 1.01 0.00 0.00 58.87 61.41 1wxm n SER 2 Cb 0.00 -4.87 -0.10 0.00 -1.01 0.00 0.00 64.21 58.23 1wxm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxm s SER 3 N -0.56 1.23 0.00 6.43 0.15 -1.26 -5.07 113.70 114.62 1wxm s SER 3 Ca -0.03 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1wxm s SER 3 Cb 0.00 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1wxm s SER 3 CO 0.09 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1wxm n GLY 4 N 0.10 -1.70 3.90 9.45 0.00 -1.26 -5.15 105.19 110.53 1wxm n GLY 4 Ca -0.13 0.47 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1wxm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxm s SER 5 N 0.91 5.99 0.26 1.61 0.01 -1.26 -5.12 113.70 116.09 1wxm s SER 5 Ca 0.00 -0.01 0.12 0.00 1.31 0.00 0.00 55.95 57.37 1wxm s SER 5 Cb 0.00 -1.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.49 1wxm s SER 5 CO 0.00 0.00 -0.19 -0.44 0.41 0.00 0.00 173.24 173.02 1wxm s SER 6 N -3.56 3.63 0.00 2.44 0.01 -1.26 -5.11 113.70 109.85 1wxm s SER 6 Ca 0.33 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1wxm s SER 6 Cb -0.10 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1wxm s SER 6 CO 0.27 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1wxm n GLY 7 N -0.42 0.31 2.43 3.44 0.00 -1.26 -5.02 105.19 104.67 1wxm n GLY 7 Ca -0.07 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 1wxm n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wxm n GLY 8 N -1.47 4.21 3.61 -0.02 0.00 -1.26 -5.08 105.19 105.17 1wxm n GLY 8 Ca 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 1wxm n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wxm s THR 9 N -2.95 0.00 0.02 2.61 -4.23 -1.26 -3.19 115.64 106.64 1wxm s THR 9 Ca 0.42 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1wxm s THR 9 Cb 0.31 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1wxm s THR 9 CO -0.10 0.00 0.02 -0.69 -0.54 0.00 0.00 174.62 173.32 1wxm s VAL 10 N -2.84 0.12 -0.18 2.29 1.01 0.15 -4.65 120.40 116.30 1wxm s VAL 10 Ca 0.25 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1wxm s VAL 10 Cb -0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1wxm s VAL 10 CO 0.17 -0.55 0.52 -0.75 0.00 0.00 0.00 175.10 174.49 1wxm s LYS 11 N -1.91 4.22 -0.34 2.72 2.20 -1.26 -0.01 119.74 125.37 1wxm s LYS 11 Ca -0.11 0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 55.91 1wxm s LYS 11 Cb -0.06 -3.54 0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1wxm s LYS 11 CO -0.02 -0.10 0.09 0.08 -0.36 0.00 0.00 175.35 175.03 1wxm s VAL 12 N 1.48 3.25 -0.30 4.02 1.01 0.14 -3.06 120.40 126.93 1wxm s VAL 12 Ca 0.25 -1.55 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 1wxm s VAL 12 Cb -0.15 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1wxm s VAL 12 CO 0.10 -0.31 1.19 -0.31 0.00 0.00 0.00 175.10 175.77 1wxm s TYR 13 N 1.25 2.92 0.59 5.22 2.02 -0.15 0.25 117.35 129.45 1wxm s TYR 13 Ca -0.00 1.03 -0.06 0.00 -0.37 0.00 0.00 57.07 57.67 1wxm s TYR 13 Cb -0.21 -3.79 0.01 0.00 -0.40 0.00 0.00 41.96 37.57 1wxm s TYR 13 CO -0.01 -1.25 0.90 -0.51 -1.57 0.00 0.00 175.55 173.10 1wxm s LEU 14 N 3.97 3.24 0.00 -1.29 1.43 0.15 0.70 118.68 126.88 1wxm s LEU 14 Ca 0.51 0.74 0.23 0.00 -1.03 0.00 0.00 54.13 54.57 1wxm s LEU 14 Cb -0.15 -3.57 1.16 0.00 0.03 0.00 0.00 46.19 43.67 1wxm s LEU 14 CO 0.19 -1.05 1.74 -0.81 0.23 0.00 0.00 176.35 176.65 1wxm n PRO 15 N -2.58 0.35 -0.87 1.29 -0.04 -0.38 -3.09 135.00 129.68 1wxm n PRO 15 Ca 0.04 0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 1wxm n PRO 15 Cb 0.57 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 1wxm n PRO 15 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wxm n ASN 16 N -1.27 5.05 -1.71 3.54 2.85 -1.26 -4.79 115.26 117.67 1wxm n ASN 16 Ca 0.11 -3.10 -0.09 0.00 -0.11 0.00 0.00 54.58 51.39 1wxm n ASN 16 Cb 0.17 -0.87 -0.03 0.00 1.24 0.00 0.00 39.78 40.30 1wxm n ASN 16 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1wxm n LYS 17 N -0.24 -1.64 -4.59 1.20 2.85 -1.18 -4.88 118.16 109.68 1wxm n LYS 17 Ca 0.37 0.52 -0.32 0.00 -1.05 0.00 0.00 58.31 57.84 1wxm n LYS 17 Cb 0.92 -4.85 -0.07 0.00 -0.65 0.00 0.00 35.03 30.39 1wxm n LYS 17 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1wxm s GLN 18 N -3.61 2.20 0.02 -1.58 -1.52 -1.24 -4.98 119.66 108.94 1wxm s GLN 18 Ca 0.00 -2.32 -0.04 0.00 -1.95 0.00 0.00 55.36 51.05 1wxm s GLN 18 Cb 0.00 -1.64 -0.01 0.00 -0.22 0.00 0.00 33.01 31.14 1wxm s GLN 18 CO 0.00 -0.39 0.06 -0.98 -0.25 0.00 0.00 175.29 173.73 1wxm s ARG 19 N -3.94 0.44 -0.03 2.91 3.03 -1.26 0.32 118.95 120.42 1wxm s ARG 19 Ca 0.12 -0.58 0.00 0.00 2.03 0.00 0.00 55.73 57.31 1wxm s ARG 19 Cb 0.01 0.17 0.03 0.00 -1.03 0.00 0.00 34.95 34.13 1wxm s ARG 19 CO 0.07 -0.10 0.01 -0.08 -1.13 0.00 0.00 175.30 174.07 1wxm s THR 20 N -1.73 0.13 -0.11 4.99 -1.32 0.14 -4.91 115.64 112.82 1wxm s THR 20 Ca -0.13 0.12 -0.26 0.00 -1.21 0.00 0.00 61.69 60.21 1wxm s THR 20 Cb -0.07 -0.23 -0.02 0.00 -1.51 0.00 0.00 72.50 70.67 1wxm s THR 20 CO -0.01 0.13 0.84 -0.69 -2.21 0.00 0.00 174.62 172.68 1wxm s VAL 21 N 1.04 4.91 0.31 5.08 1.01 -1.26 0.28 120.40 131.77 1wxm s VAL 21 Ca -0.09 1.70 0.10 0.00 0.00 0.00 0.00 61.98 63.68 1wxm s VAL 21 Cb -0.13 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1wxm s VAL 21 CO -0.02 0.11 -0.07 -0.69 0.00 0.00 0.00 175.10 174.43 1wxm s VAL 22 N 1.58 2.73 0.10 2.92 1.01 0.99 -4.90 120.40 124.83 1wxm s VAL 22 Ca 0.41 -2.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.10 1wxm s VAL 22 Cb -0.18 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 1wxm s VAL 22 CO 0.17 -0.30 0.58 -0.89 0.00 0.00 0.00 175.10 174.67 1wxm s THR 23 N -2.48 4.74 -0.45 3.92 2.01 -1.26 0.32 115.64 122.44 1wxm s THR 23 Ca 0.32 1.15 -0.22 0.00 0.31 0.00 0.00 61.69 63.26 1wxm s THR 23 Cb -0.03 -3.87 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1wxm s THR 23 CO 0.18 0.46 0.70 -0.69 -0.69 0.00 0.00 174.62 174.58 1wxm s VAL 24 N -1.22 4.75 -0.37 3.82 1.01 -1.19 -4.85 120.40 122.35 1wxm s VAL 24 Ca 0.32 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1wxm s VAL 24 Cb -0.18 -4.26 0.10 0.00 0.00 0.00 0.00 36.38 32.04 1wxm s VAL 24 CO 0.19 -0.65 0.09 -0.13 0.00 0.00 0.00 175.10 174.60 1wxm s ARG 25 N 3.01 1.60 -1.03 2.72 0.52 -1.26 -4.94 118.95 119.57 1wxm s ARG 25 Ca 0.25 -1.95 -0.26 0.00 -0.52 0.00 0.00 55.73 53.25 1wxm s ARG 25 Cb -0.13 -3.27 -0.20 0.00 0.52 0.00 0.00 34.95 31.86 1wxm s ARG 25 CO 0.20 -0.97 2.17 0.34 0.02 0.00 0.00 175.30 177.06 1wxm s ASP 26 N 0.89 3.57 0.00 0.23 -1.08 -1.26 -2.96 116.67 116.06 1wxm s ASP 26 Ca 0.11 -0.78 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 1wxm s ASP 26 Cb -0.20 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 1wxm s ASP 26 CO -0.07 -4.53 0.00 0.61 0.52 0.00 0.00 175.17 171.70 1wxm n GLY 27 N 6.28 -1.65 3.34 2.66 0.00 -1.26 -4.96 105.19 109.60 1wxm n GLY 27 Ca 0.43 0.58 -0.37 0.00 0.00 0.00 0.00 46.02 46.65 1wxm n GLY 27 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wxm n MET 28 N 0.00 0.19 -1.92 1.61 0.00 -1.16 -4.59 117.12 111.26 1wxm n MET 28 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 57.70 57.49 1wxm n MET 28 Cb 0.00 -1.47 0.16 0.00 0.00 0.00 0.00 33.22 31.91 1wxm n MET 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1wxm s SER 29 N -1.25 3.54 0.06 3.17 0.15 -1.26 -2.17 113.70 115.94 1wxm s SER 29 Ca 0.60 0.42 -0.16 0.00 0.70 0.00 0.00 55.95 57.51 1wxm s SER 29 Cb -0.38 -0.60 -0.21 0.00 -1.71 0.00 0.00 66.02 63.13 1wxm s SER 29 CO 0.63 -2.48 1.20 0.58 1.20 0.00 0.00 173.24 174.37 1wxm h VAL 30 N -1.47 1.33 0.09 4.45 2.07 0.02 -2.75 116.25 119.99 1wxm h VAL 30 Ca -0.45 -2.05 0.02 0.00 0.82 0.00 0.00 66.70 65.04 1wxm h VAL 30 Cb 1.26 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 1wxm h VAL 30 CO 0.46 0.63 -0.33 0.22 0.02 0.00 0.00 177.57 178.57 1wxm h TYR 31 N 0.24 -0.90 -0.02 1.57 5.03 -1.58 1.59 116.97 122.90 1wxm h TYR 31 Ca -0.08 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.26 1wxm h TYR 31 Cb 1.42 0.38 -0.00 0.00 1.55 0.00 0.00 36.73 40.08 1wxm h TYR 31 CO 0.11 -0.43 0.02 -0.44 -1.32 0.00 0.00 178.16 176.10 1wxm h ASP 32 N -0.53 0.00 0.08 -2.11 5.19 -1.84 1.58 116.42 118.79 1wxm h ASP 32 Ca 0.04 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1wxm h ASP 32 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1wxm h ASP 32 CO -0.21 0.00 -0.04 0.28 -3.12 0.00 0.00 179.24 176.15 1wxm h SER 33 N 0.00 -0.09 -0.13 6.45 0.02 -0.59 -3.22 113.55 115.98 1wxm h SER 33 Ca 0.01 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1wxm h SER 33 Cb 0.06 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1wxm h SER 33 CO -0.00 0.57 0.00 0.18 -1.14 0.00 0.00 176.83 176.44 1wxm n LEU 34 N -4.80 0.93 0.10 5.07 7.99 0.52 -3.83 117.00 122.97 1wxm n LEU 34 Ca -0.06 -0.47 -0.12 0.00 -0.01 0.00 0.00 56.01 55.35 1wxm n LEU 34 Cb 0.26 -0.17 -0.08 0.00 -0.11 0.00 0.00 43.42 43.32 1wxm n LEU 34 CO 0.21 0.21 0.48 -0.78 -1.51 0.00 0.00 177.39 176.00 1wxm h ASP 35 N 0.77 -0.24 -0.06 -1.43 1.82 0.23 -2.83 116.42 114.68 1wxm h ASP 35 Ca 0.00 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.33 1wxm h ASP 35 Cb 0.29 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1wxm h ASP 35 CO 0.02 0.22 -0.10 0.11 -1.61 0.00 0.00 179.24 177.87 1wxm h LYS 36 N -0.78 0.17 -1.50 0.28 1.79 -1.74 0.17 116.57 114.95 1wxm h LYS 36 Ca -0.03 -0.11 0.46 0.00 -2.18 0.00 0.00 60.65 58.80 1wxm h LYS 36 Cb 0.51 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.07 1wxm h LYS 36 CO 0.05 0.68 1.03 0.00 -1.08 0.00 0.00 179.45 180.12 1wxm h ALA 37 N 0.49 3.13 0.00 3.86 0.00 -1.69 1.46 119.26 126.50 1wxm h ALA 37 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wxm h ALA 37 Cb 0.67 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wxm h ALA 37 CO 0.02 -1.70 -0.54 1.28 0.00 0.00 0.00 179.25 178.32 1wxm n LEU 38 N -4.39 1.81 -0.30 0.00 4.77 -1.07 -4.30 117.00 113.52 1wxm n LEU 38 Ca 0.38 0.63 0.07 0.00 -0.03 0.00 0.00 56.01 57.07 1wxm n LEU 38 Cb 1.58 -0.88 0.18 0.00 -2.33 0.00 0.00 43.42 41.97 1wxm n LEU 38 CO 0.31 -0.44 0.76 0.11 -1.33 0.00 0.00 177.39 176.80 1wxm h LYS 39 N -1.00 0.04 -1.62 3.23 1.57 0.93 1.82 116.57 121.55 1wxm h LYS 39 Ca -0.02 -0.00 0.51 0.00 -1.87 0.00 0.00 60.65 59.27 1wxm h LYS 39 Cb 0.54 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.73 1wxm h LYS 39 CO -0.01 0.02 1.10 -0.24 -0.57 0.00 0.00 179.45 179.76 1wxm h VAL 40 N 0.04 0.03 0.00 0.50 3.04 0.18 0.58 116.25 120.61 1wxm h VAL 40 Ca 0.47 -0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.86 1wxm h VAL 40 Cb 0.84 0.02 -0.06 0.00 -2.01 0.00 0.00 31.29 30.08 1wxm h VAL 40 CO -0.83 0.00 -2.13 0.54 -1.01 0.00 0.00 177.57 174.14 1wxm n ARG 41 N -4.40 1.13 0.00 4.17 1.74 0.54 -5.00 116.66 114.84 1wxm n ARG 41 Ca 0.41 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1wxm n ARG 41 Cb 1.73 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 1wxm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxm n GLY 42 N 2.13 1.27 3.76 -0.13 0.00 0.33 -5.10 105.19 107.45 1wxm n GLY 42 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1wxm n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxm s LEU 43 N 0.00 3.80 0.16 0.99 1.43 -0.82 -4.84 118.68 119.40 1wxm s LEU 43 Ca 0.00 2.39 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 1wxm s LEU 43 Cb 0.00 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 1wxm s LEU 43 CO 0.00 -1.36 0.24 0.21 0.23 0.00 0.00 176.35 175.67 1wxm s ASN 44 N -1.46 6.06 -0.31 2.29 2.47 -1.26 -3.91 114.94 118.82 1wxm s ASN 44 Ca 0.72 0.06 -0.01 0.00 0.42 0.00 0.00 52.86 54.06 1wxm s ASN 44 Cb -0.30 -1.75 0.21 0.00 -1.45 0.00 0.00 41.25 37.96 1wxm s ASN 44 CO 0.35 0.05 2.01 0.00 -3.72 0.00 0.00 177.10 175.79 1wxm n GLN 45 N -0.54 1.78 0.00 0.43 3.00 -1.26 -3.40 117.38 117.39 1wxm n GLN 45 Ca -0.07 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 1wxm n GLN 45 Cb 0.54 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.19 1wxm n GLN 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1wxm n ASP 46 N 0.37 0.00 -1.52 1.08 -0.08 -1.26 -4.81 116.55 110.34 1wxm n ASP 46 Ca 0.29 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1wxm n ASP 46 Cb 0.58 0.01 0.23 0.00 2.34 0.00 0.00 41.12 44.29 1wxm n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wxm s VAL 49 N -0.62 1.61 -0.17 0.00 0.11 0.13 -4.84 120.40 116.62 1wxm s VAL 49 Ca -0.07 -2.01 0.01 0.00 -2.93 0.00 0.00 61.98 56.97 1wxm s VAL 49 Cb -0.04 -1.86 0.03 0.00 -1.53 0.00 0.00 36.38 32.98 1wxm s VAL 49 CO -0.00 -0.50 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.44 1wxm s VAL 50 N -2.60 1.64 -0.10 2.04 1.01 -1.25 0.30 120.40 121.43 1wxm s VAL 50 Ca 0.17 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1wxm s VAL 50 Cb -0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1wxm s VAL 50 CO 0.05 0.38 0.18 -0.31 0.00 0.00 0.00 175.10 175.41 1wxm s TYR 51 N 1.44 3.62 -0.12 5.22 2.02 0.10 0.80 117.35 130.43 1wxm s TYR 51 Ca 0.03 0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 57.24 1wxm s TYR 51 Cb -0.14 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1wxm s TYR 51 CO -0.10 0.72 0.20 1.03 -1.57 0.00 0.00 175.55 175.82 1wxm s ARG 52 N -1.02 3.77 -0.64 -0.62 0.52 0.12 0.11 118.95 121.19 1wxm s ARG 52 Ca 0.16 -0.04 -0.25 0.00 -0.52 0.00 0.00 55.73 55.09 1wxm s ARG 52 Cb -0.13 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.12 1wxm s ARG 52 CO 0.05 0.60 1.08 -0.51 0.02 0.00 0.00 175.30 176.54 1wxm s LEU 53 N -0.56 3.84 -0.46 2.53 2.01 -0.58 0.15 118.68 125.61 1wxm s LEU 53 Ca 0.15 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 53.80 1wxm s LEU 53 Cb -0.13 -2.67 0.13 0.00 0.01 0.00 0.00 46.19 43.53 1wxm s LEU 53 CO 0.04 -1.50 0.22 -0.63 1.01 0.00 0.00 176.35 175.50 1wxm s ILE 54 N 4.61 1.95 -1.02 -0.59 1.09 -1.13 -4.68 121.20 121.44 1wxm s ILE 54 Ca 0.31 -2.80 -0.04 0.00 -1.10 0.00 0.00 60.65 57.02 1wxm s ILE 54 Cb -0.12 -2.37 0.00 0.00 -1.06 0.00 0.00 42.46 38.91 1wxm s ILE 54 CO 0.16 -0.82 0.87 0.29 -0.10 0.00 0.00 174.94 175.35 1wxm n LYS 55 N 3.49 -5.84 -3.31 2.79 4.01 -1.26 -3.01 118.16 115.03 1wxm n LYS 55 Ca 0.06 0.67 -0.16 0.00 -0.51 0.00 0.00 58.31 58.37 1wxm n LYS 55 Cb 0.34 -5.18 0.08 0.00 -0.51 0.00 0.00 35.03 29.76 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wxm n GLY 56 N -1.42 -0.38 2.84 0.72 0.00 -1.26 -5.01 105.19 100.67 1wxm n GLY 56 Ca -0.10 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1wxm n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxm s ARG 57 N -5.16 0.31 -0.26 1.61 0.52 -1.16 -5.10 118.95 109.70 1wxm s ARG 57 Ca 0.05 0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 1wxm s ARG 57 Cb -0.01 -0.70 -0.07 0.00 0.52 0.00 0.00 34.95 34.70 1wxm s ARG 57 CO 0.68 -0.75 2.22 1.63 0.02 0.00 0.00 175.30 179.10 1wxm n LYS 58 N 5.34 1.69 -3.64 3.54 4.01 -1.25 -2.83 118.16 125.02 1wxm n LYS 58 Ca -0.03 0.46 -0.39 0.00 -0.51 0.00 0.00 58.31 57.83 1wxm n LYS 58 Cb 0.49 -3.01 -0.10 0.00 -0.51 0.00 0.00 35.03 31.90 1wxm n LYS 58 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1wxm s THR 59 N 8.07 3.85 0.12 -0.18 2.01 0.12 -4.77 115.64 124.86 1wxm s THR 59 Ca 1.04 -1.89 -0.34 0.00 0.31 0.00 0.00 61.69 60.81 1wxm s THR 59 Cb -0.49 -3.57 -0.18 0.00 0.01 0.00 0.00 72.50 68.27 1wxm s THR 59 CO 0.39 -0.74 0.84 0.52 -0.69 0.00 0.00 174.62 174.95 1wxm n VAL 60 N 4.79 1.02 -4.28 3.82 0.31 -1.26 0.16 118.33 122.88 1wxm n VAL 60 Ca -0.06 -0.26 -0.23 0.00 -0.01 0.00 0.00 64.34 63.78 1wxm n VAL 60 Cb 0.41 -0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 33.13 1wxm n VAL 60 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wxm s THR 61 N -0.48 3.09 0.35 2.52 -1.32 0.24 -4.76 115.64 115.27 1wxm s THR 61 Ca 0.76 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1wxm s THR 61 Cb -1.06 -2.82 -0.03 0.00 -1.51 0.00 0.00 72.50 67.08 1wxm s THR 61 CO 0.56 -0.29 0.55 0.00 -2.21 0.00 0.00 174.62 173.23 1wxm s ALA 62 N -2.41 3.69 -0.01 11.08 0.00 -1.26 -4.56 121.76 128.29 1wxm s ALA 62 Ca 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1wxm s ALA 62 Cb -0.04 -2.13 -0.26 0.00 0.00 0.00 0.00 23.12 20.69 1wxm s ALA 62 CO 0.20 -0.01 0.81 -1.49 0.00 0.00 0.00 175.76 175.26 1wxm h TRP 63 N 0.80 0.34 -1.00 0.00 4.06 -1.97 -3.33 115.95 114.86 1wxm h TRP 63 Ca -0.50 -0.25 -0.48 0.00 2.06 0.00 0.00 58.89 59.72 1wxm h TRP 63 Cb 1.22 -0.01 -0.18 0.00 -1.00 0.00 0.00 29.16 29.19 1wxm h TRP 63 CO 0.52 1.33 0.42 -3.47 -3.56 0.00 0.00 178.44 173.67 1wxm n ASP 64 N -3.38 6.52 -4.55 -3.49 2.03 -1.26 -1.74 116.55 110.69 1wxm n ASP 64 Ca -0.17 -3.21 -0.25 0.00 0.52 0.00 0.00 54.79 51.68 1wxm n ASP 64 Cb 1.04 -1.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.14 1wxm n ASP 64 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1wxm s THR 65 N -2.36 2.40 0.13 5.18 2.01 -1.25 -4.97 115.64 116.77 1wxm s THR 65 Ca 0.55 -2.20 -0.16 0.00 0.31 0.00 0.00 61.69 60.19 1wxm s THR 65 Cb 0.37 -2.60 -0.07 0.00 0.01 0.00 0.00 72.50 70.21 1wxm s THR 65 CO -0.19 -0.25 0.56 0.00 -0.69 0.00 0.00 174.62 174.04 1wxm s ALA 66 N -2.56 3.58 -0.69 7.40 0.00 -1.26 0.56 121.76 128.78 1wxm s ALA 66 Ca 0.32 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.29 1wxm s ALA 66 Cb -0.00 -2.56 0.49 0.00 0.00 0.00 0.00 23.12 21.06 1wxm s ALA 66 CO 0.17 0.44 1.27 1.51 0.00 0.00 0.00 175.76 179.15 1wxm n ILE 67 N 1.05 1.58 0.10 0.00 0.13 -0.92 -4.22 119.36 117.09 1wxm n ILE 67 Ca -0.07 -0.83 -0.08 0.00 -1.10 0.00 0.00 62.75 60.67 1wxm n ILE 67 Cb 0.52 -0.29 -0.05 0.00 -0.84 0.00 0.00 39.64 38.97 1wxm n ILE 67 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1wxm h ALA 68 N 3.30 -0.35 0.00 1.51 0.00 -1.81 -3.31 119.26 118.60 1wxm h ALA 68 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1wxm h ALA 68 Cb 1.33 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1wxm h ALA 68 CO 0.27 -0.36 0.18 -0.35 0.00 0.00 0.00 179.25 178.99 1wxm n PRO 69 N -5.01 1.63 0.00 0.00 -0.04 -1.26 -3.00 135.00 127.33 1wxm n PRO 69 Ca -0.06 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1wxm n PRO 69 Cb 0.21 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1wxm n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wxm n LEU 70 N 2.76 1.50 -2.86 1.53 7.99 -1.24 -5.05 117.00 121.62 1wxm n LEU 70 Ca 0.35 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.94 1wxm n LEU 70 Cb 0.64 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.87 1wxm n LEU 70 CO 0.22 0.25 0.97 -0.67 -1.51 0.00 0.00 177.39 176.64 1wxm n ASP 71 N -2.00 0.60 -1.22 -1.43 2.03 -1.16 -2.05 116.55 111.32 1wxm n ASP 71 Ca 0.00 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1wxm n ASP 71 Cb 0.25 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 1wxm n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wxm n GLY 72 N 3.95 0.60 0.00 0.27 0.00 -1.26 -5.09 105.19 103.65 1wxm n GLY 72 Ca 0.29 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wxm n GLY 72 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wxm n GLU 73 N -1.09 0.00 -3.69 1.61 -0.00 -0.87 -5.15 120.64 111.45 1wxm n GLU 73 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.05 1wxm n GLU 73 Cb 0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.73 1wxm n GLU 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1wxm s GLU 74 N -2.00 0.33 0.07 3.44 2.02 -1.26 -4.11 118.70 117.19 1wxm s GLU 74 Ca 0.00 0.80 0.04 0.00 0.02 0.00 0.00 54.97 55.83 1wxm s GLU 74 Cb 0.00 0.03 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1wxm s GLU 74 CO 0.00 -0.19 -0.01 -0.51 0.02 0.00 0.00 175.26 174.57 1wxm s LEU 75 N 1.71 3.41 -0.25 1.80 1.43 -1.17 -1.52 118.68 124.08 1wxm s LEU 75 Ca -0.07 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1wxm s LEU 75 Cb -0.10 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1wxm s LEU 75 CO -0.12 0.20 -0.07 -0.63 0.23 0.00 0.00 176.35 175.96 1wxm s ILE 76 N -1.24 2.70 -0.54 -0.59 1.01 0.12 -0.97 121.20 121.69 1wxm s ILE 76 Ca 0.24 -1.19 -0.20 0.00 0.00 0.00 0.00 60.65 59.50 1wxm s ILE 76 Cb -0.12 -2.43 0.07 0.00 0.01 0.00 0.00 42.46 40.00 1wxm s ILE 76 CO 0.16 0.13 0.68 -0.69 0.00 0.00 0.00 174.94 175.22 1wxm s VAL 77 N 1.27 4.80 0.25 2.92 1.01 0.22 0.02 120.40 130.90 1wxm s VAL 77 Ca -0.02 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1wxm s VAL 77 Cb -0.17 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 1wxm s VAL 77 CO -0.05 -0.94 0.23 -1.61 0.00 0.00 0.00 175.10 172.73 1wxm s GLU 78 N 2.79 3.00 -0.22 2.72 2.02 0.15 -1.25 118.70 127.91 1wxm s GLU 78 Ca 0.15 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.09 1wxm s GLU 78 Cb -0.20 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 1wxm s GLU 78 CO 0.11 0.40 -0.02 0.54 0.02 0.00 0.00 175.26 176.30 1wxm s VAL 79 N -2.11 3.59 -0.41 2.63 0.11 -1.26 0.21 120.40 123.15 1wxm s VAL 79 Ca 0.33 -0.42 -0.27 0.00 -2.93 0.00 0.00 61.98 58.69 1wxm s VAL 79 Cb -0.08 -2.64 -0.07 0.00 -1.53 0.00 0.00 36.38 32.07 1wxm s VAL 79 CO 0.26 0.41 2.36 0.18 -3.33 0.00 0.00 175.10 174.98 1wxm n LEU 80 N 4.71 2.58 -3.47 2.54 4.77 0.47 -4.85 117.00 123.75 1wxm n LEU 80 Ca -0.18 -0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 55.41 1wxm n LEU 80 Cb 0.51 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 1wxm n LEU 80 CO 0.30 -1.30 0.54 -0.55 -1.33 0.00 0.00 177.39 175.04 1wxm s SER 81 N 11.03 -0.49 0.54 -1.43 0.15 -1.26 -4.88 113.70 117.35 1wxm s SER 81 Ca 0.99 0.08 -0.19 0.00 0.70 0.00 0.00 55.95 57.54 1wxm s SER 81 Cb -0.24 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1wxm s SER 81 CO 0.29 -0.77 1.07 -0.83 1.20 0.00 0.00 173.24 174.20 1wxm s GLY 82 N -2.42 2.41 0.22 9.45 0.00 -1.26 -5.00 107.32 110.72 1wxm s GLY 82 Ca 0.01 0.59 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 1wxm s GLY 82 CO -0.09 0.92 1.10 2.56 0.00 0.00 0.00 173.10 177.59 1wxm s PRO 83 N -3.51 4.62 -0.20 2.90 0.04 -1.26 -5.04 135.00 132.55 1wxm s PRO 83 Ca 0.67 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 63.39 1wxm s PRO 83 Cb -0.18 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.21 1wxm s PRO 83 CO 0.27 0.14 0.43 0.45 0.04 0.00 0.00 177.00 178.33 1wxm s SER 84 N -0.46 -0.36 -0.18 6.66 0.15 -1.26 -5.13 113.70 113.12 1wxm s SER 84 Ca 0.47 1.01 -0.27 0.00 0.70 0.00 0.00 55.95 57.86 1wxm s SER 84 Cb -0.31 1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 65.28 1wxm s SER 84 CO 0.37 -0.22 0.94 -0.44 1.20 0.00 0.00 173.24 175.09 1wxm s SER 85 N 2.37 7.06 0.00 5.45 0.01 -1.26 -5.30 113.70 122.02 1wxm s SER 85 Ca -0.04 1.31 0.28 0.00 1.31 0.00 0.00 55.95 58.81 1wxm s SER 85 Cb -0.11 -2.50 1.09 0.00 0.21 0.00 0.00 66.02 64.71 1wxm s SER 85 CO -0.13 -0.51 1.77 0.61 0.41 0.00 0.00 173.24 175.39