#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxm s SER 2 N 0.00 3.24 -0.23 1.61 0.15 -1.26 -5.10 113.70 112.10 1wxm s SER 2 Ca 0.00 -0.54 -0.13 0.00 0.70 0.00 0.00 55.95 55.97 1wxm s SER 2 Cb 0.00 -1.46 0.07 0.00 -1.71 0.00 0.00 66.02 62.93 1wxm s SER 2 CO 0.00 0.13 0.57 -0.44 1.20 0.00 0.00 173.24 174.70 1wxm s SER 3 N 0.54 -0.77 0.07 5.45 0.01 -1.26 -5.13 113.70 112.62 1wxm s SER 3 Ca -0.13 1.26 -0.37 0.00 1.31 0.00 0.00 55.95 58.02 1wxm s SER 3 Cb -0.17 1.13 -0.18 0.00 0.21 0.00 0.00 66.02 67.02 1wxm s SER 3 CO 0.04 -0.22 1.12 0.61 0.41 0.00 0.00 173.24 175.20 1wxm n GLY 4 N 4.29 -0.13 2.19 3.44 0.00 -1.26 -4.04 105.19 109.69 1wxm n GLY 4 Ca -0.21 0.67 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 1wxm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wxm n SER 5 N 1.93 -4.78 -4.27 1.61 2.88 -1.26 -5.08 113.62 104.65 1wxm n SER 5 Ca 0.18 1.30 -0.15 0.00 -1.33 0.00 0.00 58.87 58.88 1wxm n SER 5 Cb 0.16 -4.35 -0.10 0.00 -0.75 0.00 0.00 64.21 59.16 1wxm n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wxm s SER 6 N -0.50 1.06 0.19 -3.46 0.15 -1.26 -5.17 113.70 104.71 1wxm s SER 6 Ca -0.10 -1.31 -0.23 0.00 0.70 0.00 0.00 55.95 55.02 1wxm s SER 6 Cb 0.01 0.18 0.07 0.00 -1.71 0.00 0.00 66.02 64.56 1wxm s SER 6 CO 0.27 -0.69 1.00 -0.83 1.20 0.00 0.00 173.24 174.19 1wxm s GLY 7 N -3.24 0.02 -0.38 9.45 0.00 -1.26 -5.09 107.32 106.82 1wxm s GLY 7 Ca 0.33 -0.21 0.11 0.00 0.00 0.00 0.00 44.72 44.95 1wxm s GLY 7 CO 0.10 1.38 0.75 0.61 0.00 0.00 0.00 173.10 175.93 1wxm n GLY 8 N -0.61 3.37 3.63 0.20 0.00 -1.26 -5.04 105.19 105.48 1wxm n GLY 8 Ca -0.04 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.19 0.00 0.01 2.61 -4.23 -1.26 -2.98 115.64 107.60 1wxm s THR 9 Ca 0.39 -1.34 -0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1wxm s THR 9 Cb 0.34 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1wxm s THR 9 CO -0.08 0.00 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.31 1wxm s VAL 10 N -3.06 0.05 -0.13 2.29 1.01 0.14 -4.51 120.40 116.18 1wxm s VAL 10 Ca 0.23 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1wxm s VAL 10 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 1wxm s VAL 10 CO 0.14 -0.21 0.47 -0.54 0.00 0.00 0.00 175.10 174.97 1wxm s LYS 11 N -0.61 4.32 -0.28 2.72 1.02 -1.26 0.10 119.74 125.75 1wxm s LYS 11 Ca -0.07 0.43 -0.02 0.00 0.02 0.00 0.00 55.97 56.33 1wxm s LYS 11 Cb -0.04 -3.45 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1wxm s LYS 11 CO -0.00 0.14 -0.02 0.08 -0.92 0.00 0.00 175.35 174.62 1wxm s VAL 12 N 0.70 2.99 -0.33 3.17 1.01 0.16 -2.36 120.40 125.74 1wxm s VAL 12 Ca 0.25 -1.17 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 1wxm s VAL 12 Cb -0.15 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1wxm s VAL 12 CO 0.10 0.05 0.93 -0.31 0.00 0.00 0.00 175.10 175.87 1wxm s TYR 13 N 1.30 3.15 0.66 5.22 2.02 0.91 0.17 117.35 130.78 1wxm s TYR 13 Ca -0.02 0.94 -0.10 0.00 -0.37 0.00 0.00 57.07 57.51 1wxm s TYR 13 Cb -0.18 -3.51 -0.00 0.00 -0.40 0.00 0.00 41.96 37.87 1wxm s TYR 13 CO -0.02 -0.71 1.05 -0.51 -1.57 0.00 0.00 175.55 173.78 1wxm s LEU 14 N 3.35 3.05 -0.88 -1.29 1.43 0.11 0.42 118.68 124.88 1wxm s LEU 14 Ca 0.39 1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 54.40 1wxm s LEU 14 Cb -0.13 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1wxm s LEU 14 CO 0.15 -1.15 1.65 -2.16 0.23 0.00 0.00 176.35 175.07 1wxm s PRO 15 N -5.25 3.04 0.00 1.29 0.04 -0.92 -3.29 135.00 129.90 1wxm s PRO 15 Ca 0.56 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1wxm s PRO 15 Cb -0.11 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.49 1wxm s PRO 15 CO 0.51 -2.68 0.00 0.09 0.04 0.00 0.00 177.00 174.96 1wxm n ASN 16 N 11.27 0.00 0.00 6.66 4.13 -1.26 -4.92 115.26 131.14 1wxm n ASN 16 Ca 0.29 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.55 1wxm n ASN 16 Cb 0.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1wxm n ASN 16 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wxm n LYS 17 N 0.00 0.00 -0.74 3.52 2.85 -1.21 -5.15 118.16 117.44 1wxm n LYS 17 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 1wxm n LYS 17 Cb 0.00 0.00 0.17 0.00 -0.65 0.00 0.00 35.03 34.55 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 0.00 0.85 0.00 -1.58 -1.52 -1.26 -4.75 119.66 111.39 1wxm s GLN 18 Ca 0.00 1.39 -0.13 0.00 -1.95 0.00 0.00 55.36 54.67 1wxm s GLN 18 Cb 0.00 -1.72 0.02 0.00 -0.22 0.00 0.00 33.01 31.09 1wxm s GLN 18 CO 0.00 -2.70 0.28 -0.98 -0.25 0.00 0.00 175.29 171.64 1wxm s ARG 19 N -4.65 0.67 -0.04 2.91 3.03 -1.26 0.07 118.95 119.68 1wxm s ARG 19 Ca 0.66 -0.30 0.02 0.00 2.03 0.00 0.00 55.73 58.15 1wxm s ARG 19 Cb -0.22 0.29 0.01 0.00 -1.03 0.00 0.00 34.95 34.00 1wxm s ARG 19 CO 0.59 -0.19 -0.10 -0.08 -1.13 0.00 0.00 175.30 174.39 1wxm s THR 20 N -1.62 0.92 -0.27 4.99 -1.32 0.13 -4.91 115.64 113.56 1wxm s THR 20 Ca -0.12 -0.40 -0.19 0.00 -1.21 0.00 0.00 61.69 59.78 1wxm s THR 20 Cb -0.04 -0.84 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1wxm s THR 20 CO 0.02 0.29 0.56 -0.69 -2.21 0.00 0.00 174.62 172.59 1wxm s VAL 21 N 0.43 5.03 0.18 5.08 1.01 -1.26 0.37 120.40 131.25 1wxm s VAL 21 Ca -0.08 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1wxm s VAL 21 Cb -0.12 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1wxm s VAL 21 CO 0.02 0.04 0.13 -0.69 0.00 0.00 0.00 175.10 174.60 1wxm s VAL 22 N 2.39 4.40 0.22 2.92 1.01 0.11 -4.88 120.40 126.58 1wxm s VAL 22 Ca 0.23 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1wxm s VAL 22 Cb -0.16 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1wxm s VAL 22 CO 0.09 -0.16 0.61 -0.89 0.00 0.00 0.00 175.10 174.76 1wxm s THR 23 N -1.83 4.81 -0.45 3.92 2.01 -1.26 0.26 115.64 123.10 1wxm s THR 23 Ca 0.31 0.79 -0.23 0.00 0.31 0.00 0.00 61.69 62.87 1wxm s THR 23 Cb -0.10 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1wxm s THR 23 CO 0.23 0.04 0.77 -0.69 -0.69 0.00 0.00 174.62 174.29 1wxm s VAL 24 N -1.70 4.67 0.01 3.82 1.01 -1.16 -4.86 120.40 122.19 1wxm s VAL 24 Ca 0.45 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1wxm s VAL 24 Cb -0.13 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1wxm s VAL 24 CO 0.20 -0.70 -0.21 -0.13 0.00 0.00 0.00 175.10 174.25 1wxm s ARG 25 N 3.24 2.10 -1.14 2.72 0.52 -1.26 -4.98 118.95 120.15 1wxm s ARG 25 Ca 0.29 -0.95 -0.09 0.00 -0.52 0.00 0.00 55.73 54.46 1wxm s ARG 25 Cb -0.12 -2.15 0.26 0.00 0.52 0.00 0.00 34.95 33.46 1wxm s ARG 25 CO 0.22 0.55 1.32 -0.25 0.02 0.00 0.00 175.30 177.17 1wxm n ASP 26 N 1.91 5.64 0.00 0.23 9.92 -1.26 -4.28 116.55 128.71 1wxm n ASP 26 Ca -0.16 -3.12 0.00 0.00 -0.53 0.00 0.00 54.79 50.98 1wxm n ASP 26 Cb 0.52 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wxm n GLY 27 N 2.64 -0.72 3.56 0.44 0.00 -1.26 -5.11 105.19 104.75 1wxm n GLY 27 Ca 0.28 0.33 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.92 -3.54 1.61 0.00 -1.26 -4.89 117.12 108.12 1wxm n MET 28 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 57.70 57.26 1wxm n MET 28 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.03 1wxm n MET 28 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1wxm s SER 29 N -2.42 4.92 0.30 3.17 1.04 -1.26 -2.95 113.70 116.50 1wxm s SER 29 Ca 0.65 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 56.14 1wxm s SER 29 Cb -0.22 0.03 0.49 0.00 0.10 0.00 0.00 66.02 66.42 1wxm s SER 29 CO 0.62 -1.01 1.82 0.58 0.98 0.00 0.00 173.24 176.23 1wxm h VAL 30 N 0.69 1.22 0.62 5.02 2.07 -1.51 -0.44 116.25 123.91 1wxm h VAL 30 Ca -0.37 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1wxm h VAL 30 Cb 1.29 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1wxm h VAL 30 CO 0.53 0.31 -0.30 0.22 0.02 0.00 0.00 177.57 178.36 1wxm h TYR 31 N 0.58 -0.77 0.00 1.57 3.20 -1.73 1.11 116.97 120.93 1wxm h TYR 31 Ca 0.12 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1wxm h TYR 31 Cb 0.41 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1wxm h TYR 31 CO 0.02 -0.43 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.67 1wxm h ASP 32 N -1.03 0.00 0.00 -2.11 5.19 -1.84 1.62 116.42 118.25 1wxm h ASP 32 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1wxm h ASP 32 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1wxm h ASP 32 CO 0.14 0.00 -0.13 0.28 -3.12 0.00 0.00 179.24 176.41 1wxm h SER 33 N 0.00 0.00 0.58 6.45 0.02 -0.62 -3.34 113.55 116.63 1wxm h SER 33 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wxm h SER 33 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wxm h SER 33 CO 0.00 0.45 0.00 -0.07 -1.14 0.00 0.00 176.83 176.07 1wxm h LEU 34 N -0.77 0.00 0.00 5.07 -0.00 0.15 -3.26 115.31 116.49 1wxm h LEU 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1wxm h LEU 34 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1wxm h LEU 34 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 178.44 177.77 1wxm n ASP 35 N -2.63 0.00 -0.10 -0.43 -0.08 0.55 0.00 116.55 113.86 1wxm n ASP 35 Ca 0.00 0.93 -0.06 0.00 -1.51 0.00 0.00 54.79 54.15 1wxm n ASP 35 Cb 0.19 -0.43 0.01 0.00 2.34 0.00 0.00 41.12 43.23 1wxm n ASP 35 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1wxm h LYS 36 N 0.00 0.03 -1.61 -0.67 1.79 -1.76 0.49 116.57 114.83 1wxm h LYS 36 Ca 0.00 -0.00 0.50 0.00 -2.18 0.00 0.00 60.65 58.96 1wxm h LYS 36 Cb 0.00 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 30.54 1wxm h LYS 36 CO 0.00 0.02 1.12 0.00 -1.08 0.00 0.00 179.45 179.51 1wxm h ALA 37 N 1.34 3.30 0.00 3.86 0.00 -1.06 1.14 119.26 127.84 1wxm h ALA 37 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wxm h ALA 37 Cb 0.25 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wxm h ALA 37 CO -0.34 -1.88 -0.52 1.28 0.00 0.00 0.00 179.25 177.79 1wxm n LEU 38 N -4.31 1.66 -0.35 0.00 4.77 0.10 -4.34 117.00 114.53 1wxm n LEU 38 Ca 0.40 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 57.02 1wxm n LEU 38 Cb 1.70 -0.83 0.16 0.00 -2.33 0.00 0.00 43.42 42.12 1wxm n LEU 38 CO 0.33 -0.46 0.69 0.11 -1.33 0.00 0.00 177.39 176.73 1wxm h LYS 39 N -0.91 0.00 -0.90 3.23 6.56 0.13 2.01 116.57 126.69 1wxm h LYS 39 Ca 0.00 -0.00 0.35 0.00 -1.06 0.00 0.00 60.65 59.93 1wxm h LYS 39 Cb 0.52 -0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.01 1wxm h LYS 39 CO 0.00 0.00 0.36 1.55 -2.06 0.00 0.00 179.45 179.31 1wxm n VAL 40 N -5.59 -0.38 -0.05 0.50 3.14 0.38 0.11 118.33 116.44 1wxm n VAL 40 Ca 0.16 1.88 0.02 0.00 -2.96 0.00 0.00 64.34 63.44 1wxm n VAL 40 Cb 0.53 -2.96 -0.15 0.00 -1.06 0.00 0.00 33.84 30.19 1wxm n VAL 40 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wxm n ARG 41 N -5.12 0.76 0.00 1.45 1.74 0.48 -4.98 116.66 110.99 1wxm n ARG 41 Ca 0.31 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1wxm n ARG 41 Cb 1.04 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 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 1.57 1.00 3.74 -0.13 0.00 0.57 -5.09 105.19 106.85 1wxm n GLY 42 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 3.46 0.25 0.99 1.43 -0.38 -4.78 118.68 119.65 1wxm s LEU 43 Ca 0.00 2.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.48 1wxm s LEU 43 Cb 0.00 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 1wxm s LEU 43 CO 0.00 -1.89 0.09 0.21 0.23 0.00 0.00 176.35 174.99 1wxm s ASN 44 N -1.97 5.04 -0.59 2.29 2.47 -1.26 -3.53 114.94 117.38 1wxm s ASN 44 Ca 0.74 -0.43 -0.02 0.00 0.42 0.00 0.00 52.86 53.57 1wxm s ASN 44 Cb -0.28 -1.13 0.36 0.00 -1.45 0.00 0.00 41.25 38.76 1wxm s ASN 44 CO 0.40 -0.01 2.07 0.00 -3.72 0.00 0.00 177.10 175.84 1wxm n GLN 45 N -0.94 2.46 0.02 0.43 1.13 -1.26 -3.91 117.38 115.31 1wxm n GLN 45 Ca -0.07 -2.83 0.00 0.00 -1.94 0.00 0.00 57.00 52.15 1wxm n GLN 45 Cb 0.58 -2.11 0.00 0.00 0.11 0.00 0.00 30.24 28.82 1wxm n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1wxm n ASP 46 N -0.49 0.06 -2.22 1.08 8.00 -1.26 -4.80 116.55 116.92 1wxm n ASP 46 Ca 0.53 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.82 1wxm n ASP 46 Cb 0.60 0.02 0.13 0.00 -0.02 0.00 0.00 41.12 41.84 1wxm n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wxm s VAL 49 N -2.75 0.38 -0.16 0.00 0.11 0.15 -4.76 120.40 113.38 1wxm s VAL 49 Ca -0.04 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 1wxm s VAL 49 Cb -0.01 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1wxm s VAL 49 CO -0.06 -0.36 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.51 1wxm s VAL 50 N -1.26 2.62 -0.08 2.04 1.01 -1.26 0.23 120.40 123.71 1wxm s VAL 50 Ca -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1wxm s VAL 50 Cb -0.09 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1wxm s VAL 50 CO -0.00 0.51 0.08 -0.31 0.00 0.00 0.00 175.10 175.38 1wxm s TYR 51 N 0.88 3.37 0.06 5.22 2.02 0.11 -0.72 117.35 128.30 1wxm s TYR 51 Ca -0.04 0.34 0.08 0.00 -0.37 0.00 0.00 57.07 57.07 1wxm s TYR 51 Cb -0.15 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1wxm s TYR 51 CO -0.01 0.60 -0.19 1.03 -1.57 0.00 0.00 175.55 175.40 1wxm s ARG 52 N -1.14 1.95 -0.70 -0.62 0.52 0.16 0.05 118.95 119.16 1wxm s ARG 52 Ca 0.16 -1.06 -0.21 0.00 -0.52 0.00 0.00 55.73 54.10 1wxm s ARG 52 Cb -0.12 -2.14 0.09 0.00 0.52 0.00 0.00 34.95 33.30 1wxm s ARG 52 CO 0.06 0.52 0.96 -0.51 0.02 0.00 0.00 175.30 176.34 1wxm s LEU 53 N -1.60 4.68 0.00 2.53 2.01 -1.19 0.13 118.68 125.24 1wxm s LEU 53 Ca 0.15 -1.27 0.00 0.00 0.01 0.00 0.00 54.13 53.02 1wxm s LEU 53 Cb -0.10 -2.40 0.00 0.00 0.01 0.00 0.00 46.19 43.70 1wxm s LEU 53 CO 0.06 -1.32 0.00 -0.38 1.01 0.00 0.00 176.35 175.72 1wxm n ILE 54 N 5.78 0.00 -2.54 -0.59 -0.00 -1.24 -4.77 119.36 116.00 1wxm n ILE 54 Ca 0.01 0.46 -0.28 0.00 -0.00 0.00 0.00 62.75 62.94 1wxm n ILE 54 Cb 0.46 -1.46 -0.00 0.00 -0.00 0.00 0.00 39.64 38.63 1wxm n ILE 54 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1wxm n LYS 55 N -2.40 3.39 -3.07 0.38 4.01 -1.26 -4.86 118.16 114.34 1wxm n LYS 55 Ca 0.00 -4.52 -0.20 0.00 -0.51 0.00 0.00 58.31 53.08 1wxm n LYS 55 Cb 0.00 -2.25 0.04 0.00 -0.51 0.00 0.00 35.03 32.31 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 -0.43 -0.37 3.23 0.72 0.00 -1.26 -5.00 105.19 102.08 1wxm n GLY 56 Ca 0.39 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 1wxm n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wxm s ARG 57 N -5.72 0.40 -0.26 1.61 1.70 -1.26 -5.10 118.95 110.32 1wxm s ARG 57 Ca 0.33 0.49 -0.28 0.00 -0.47 0.00 0.00 55.73 55.81 1wxm s ARG 57 Cb -0.15 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.36 1wxm s ARG 57 CO 0.41 -0.06 2.24 0.15 -1.08 0.00 0.00 175.30 176.97 1wxm s LYS 58 N 0.27 2.98 -0.45 3.89 1.02 -1.26 -3.71 119.74 122.48 1wxm s LYS 58 Ca -0.01 1.93 -0.10 0.00 0.02 0.00 0.00 55.97 57.82 1wxm s LYS 58 Cb -0.03 -4.40 0.09 0.00 -0.52 0.00 0.00 37.83 32.97 1wxm s LYS 58 CO -0.00 -2.28 0.31 0.99 -0.92 0.00 0.00 175.35 173.45 1wxm s THR 59 N 8.87 4.34 0.55 2.17 2.01 0.12 -4.77 115.64 128.93 1wxm s THR 59 Ca 1.00 -1.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 1wxm s THR 59 Cb -0.31 -3.73 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 1wxm s THR 59 CO 0.34 -0.62 0.79 0.52 -0.69 0.00 0.00 174.62 174.96 1wxm n VAL 60 N 4.95 2.87 -4.42 3.82 0.31 -1.26 0.37 118.33 124.97 1wxm n VAL 60 Ca -0.10 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.53 1wxm n VAL 60 Cb 0.42 -0.95 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 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 -1.55 1.65 0.49 2.52 -1.32 0.11 -4.79 115.64 112.75 1wxm s THR 61 Ca 0.70 -2.14 -0.04 0.00 -1.21 0.00 0.00 61.69 59.01 1wxm s THR 61 Cb -0.46 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.11 1wxm s THR 61 CO 0.52 -0.34 0.78 0.00 -2.21 0.00 0.00 174.62 173.37 1wxm s ALA 62 N -3.01 3.45 -0.11 11.08 0.00 -1.26 -4.63 121.76 127.27 1wxm s ALA 62 Ca 0.29 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1wxm s ALA 62 Cb 0.03 -2.49 -0.26 0.00 0.00 0.00 0.00 23.12 20.41 1wxm s ALA 62 CO 0.11 -0.43 0.40 0.91 0.00 0.00 0.00 175.76 176.75 1wxm n TRP 63 N -2.27 1.19 0.18 0.00 7.02 -1.26 -3.94 117.44 118.35 1wxm n TRP 63 Ca 0.01 0.27 0.02 0.00 -1.02 0.00 0.00 57.50 56.78 1wxm n TRP 63 Cb 0.56 -1.16 0.34 0.00 -2.42 0.00 0.00 31.31 28.62 1wxm n TRP 63 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1wxm h ASP 64 N 0.06 0.01 -1.73 -0.99 5.19 -1.98 -2.74 116.42 114.24 1wxm h ASP 64 Ca -0.41 -0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.57 1wxm h ASP 64 Cb 2.03 -0.00 0.23 0.00 0.18 0.00 0.00 39.33 41.77 1wxm h ASP 64 CO 0.08 0.40 -1.60 0.41 -3.12 0.00 0.00 179.24 175.41 1wxm n THR 65 N -4.07 0.00 -2.98 0.35 -1.04 -1.25 -4.71 114.28 100.58 1wxm n THR 65 Ca -0.02 -0.15 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 1wxm n THR 65 Cb 0.43 -0.35 0.02 0.00 -1.82 0.00 0.00 70.33 68.61 1wxm n THR 65 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wxm s ALA 66 N -2.12 4.51 -0.43 2.41 0.00 -1.26 -2.16 121.76 122.71 1wxm s ALA 66 Ca 0.45 -1.75 0.15 0.00 0.00 0.00 0.00 51.96 50.81 1wxm s ALA 66 Cb -0.02 -1.63 0.49 0.00 0.00 0.00 0.00 23.12 21.96 1wxm s ALA 66 CO 0.61 -0.46 1.40 1.51 0.00 0.00 0.00 175.76 178.82 1wxm n ILE 67 N -1.99 1.95 -0.00 0.00 0.13 -1.15 -4.26 119.36 114.03 1wxm n ILE 67 Ca 0.10 -1.59 -0.08 0.00 -1.10 0.00 0.00 62.75 60.08 1wxm n ILE 67 Cb 0.60 -0.04 -0.06 0.00 -0.84 0.00 0.00 39.64 39.30 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 2.08 -0.11 0.00 1.51 0.00 -1.82 -3.35 119.26 117.57 1wxm h ALA 68 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 54.91 54.31 1wxm h ALA 68 Cb 1.28 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wxm h ALA 68 CO 0.18 -0.13 2.14 -0.35 0.00 0.00 0.00 179.25 181.09 1wxm n PRO 69 N -4.81 2.39 0.00 0.00 -0.04 -1.26 -3.05 135.00 128.23 1wxm n PRO 69 Ca -0.05 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1wxm n PRO 69 Cb 0.22 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.54 0.06 -2.00 1.53 7.99 -1.26 -5.07 117.00 121.79 1wxm n LEU 70 Ca 0.51 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 56.23 1wxm n LEU 70 Cb 0.33 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.59 1wxm n LEU 70 CO 0.58 -0.14 0.66 -0.67 -1.51 0.00 0.00 177.39 176.31 1wxm n ASP 71 N -1.84 0.43 -0.98 -1.43 2.03 -1.17 -2.24 116.55 111.34 1wxm n ASP 71 Ca 0.00 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1wxm n ASP 71 Cb 0.02 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 2.68 0.90 0.00 0.27 0.00 -1.26 -5.09 105.19 102.69 1wxm n GLY 72 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.97 0.00 -3.75 1.61 -0.00 -0.95 -5.14 120.64 111.43 1wxm n GLU 73 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 1wxm n GLU 73 Cb 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 31.44 31.64 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 -0.22 0.24 -0.10 3.44 2.02 -1.26 -4.28 118.70 118.54 1wxm s GLU 74 Ca 0.00 0.45 0.02 0.00 0.02 0.00 0.00 54.97 55.46 1wxm s GLU 74 Cb 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1wxm s GLU 74 CO 0.00 -0.10 -0.16 -0.51 0.02 0.00 0.00 175.26 174.51 1wxm s LEU 75 N 0.75 2.59 -0.31 1.80 1.43 -1.00 -3.17 118.68 120.78 1wxm s LEU 75 Ca -0.05 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1wxm s LEU 75 Cb -0.06 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.65 1wxm s LEU 75 CO -0.05 0.22 0.02 -0.63 0.23 0.00 0.00 176.35 176.15 1wxm s ILE 76 N 0.02 3.21 -0.04 -0.59 1.01 0.11 -0.06 121.20 124.86 1wxm s ILE 76 Ca -0.05 -1.28 -0.21 0.00 0.00 0.00 0.00 60.65 59.11 1wxm s ILE 76 Cb -0.15 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 1wxm s ILE 76 CO 0.04 -0.10 0.61 -0.69 0.00 0.00 0.00 174.94 174.80 1wxm s VAL 77 N 1.30 4.98 0.18 2.92 1.01 0.17 0.04 120.40 131.00 1wxm s VAL 77 Ca -0.04 1.26 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1wxm s VAL 77 Cb -0.19 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1wxm s VAL 77 CO -0.00 0.36 0.13 -1.61 0.00 0.00 0.00 175.10 173.98 1wxm s GLU 78 N 0.20 1.12 -0.18 2.72 2.02 0.14 -2.18 118.70 122.54 1wxm s GLU 78 Ca 0.32 -1.51 -0.08 0.00 0.02 0.00 0.00 54.97 53.72 1wxm s GLU 78 Cb -0.18 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 1wxm s GLU 78 CO 0.17 -0.36 0.10 0.08 0.02 0.00 0.00 175.26 175.26 1wxm s VAL 79 N -4.10 5.11 0.34 2.63 1.01 -1.26 0.32 120.40 124.45 1wxm s VAL 79 Ca 0.31 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1wxm s VAL 79 Cb 0.07 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 33.03 1wxm s VAL 79 CO 0.07 0.48 1.49 0.18 0.00 0.00 0.00 175.10 177.32 1wxm n LEU 80 N 3.29 4.43 -3.64 3.92 4.77 0.31 -4.87 117.00 125.21 1wxm n LEU 80 Ca -0.17 1.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.93 1wxm n LEU 80 Cb 0.52 -1.59 -0.07 0.00 -2.33 0.00 0.00 43.42 39.96 1wxm n LEU 80 CO 0.35 0.05 0.64 -0.55 -1.33 0.00 0.00 177.39 176.55 1wxm s SER 81 N 0.05 -0.56 -0.44 -1.43 0.15 -1.26 -4.91 113.70 105.30 1wxm s SER 81 Ca 0.57 1.01 -0.08 0.00 0.70 0.00 0.00 55.95 58.15 1wxm s SER 81 Cb -0.50 1.09 0.10 0.00 -1.71 0.00 0.00 66.02 65.00 1wxm s SER 81 CO 0.59 -0.17 0.29 -0.83 1.20 0.00 0.00 173.24 174.31 1wxm s GLY 82 N 0.63 2.00 -1.04 9.45 0.00 -1.26 -4.98 107.32 112.12 1wxm s GLY 82 Ca -0.01 -2.38 -0.07 0.00 0.00 0.00 0.00 44.72 42.26 1wxm s GLY 82 CO -0.08 1.04 2.53 -1.55 0.00 0.00 0.00 173.10 175.03 1wxm n PRO 83 N 4.86 2.59 -4.01 2.90 -0.04 -1.26 -4.77 135.00 135.28 1wxm n PRO 83 Ca -0.08 -1.63 -0.31 0.00 -0.04 0.00 0.00 63.50 61.44 1wxm n PRO 83 Cb 0.42 -2.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 1wxm n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wxm s SER 84 N 2.79 4.23 0.17 3.54 0.15 -1.26 -4.97 113.70 118.36 1wxm s SER 84 Ca 0.52 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1wxm s SER 84 Cb 0.15 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1wxm s SER 84 CO -0.04 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 172.97 1wxm n SER 85 N 4.52 -8.34 0.00 5.45 7.64 -1.26 -5.30 113.62 116.33 1wxm n SER 85 Ca -0.11 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1wxm n SER 85 Cb 0.43 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64