#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 -1.06 -4.94 1.61 2.88 -1.26 -5.14 113.62 105.72 1wxm n SER 2 Ca 0.00 0.53 -0.27 0.00 -1.33 0.00 0.00 58.87 57.80 1wxm n SER 2 Cb 0.00 1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 64.73 1wxm n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wxm s SER 3 N -2.00 6.36 0.00 -3.46 0.01 -1.26 -5.08 113.70 108.27 1wxm s SER 3 Ca 0.00 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1wxm s SER 3 Cb 0.00 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1wxm s SER 3 CO 0.00 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1wxm n GLY 4 N -0.63 4.05 0.79 3.44 0.00 -1.26 -4.31 105.19 107.26 1wxm n GLY 4 Ca -0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 1.08 0.05 1.61 2.88 -1.26 -5.07 113.62 112.91 1wxm n SER 5 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1wxm n SER 5 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1wxm n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wxm n SER 6 N -3.62 -0.95 -4.47 -3.46 2.88 -1.26 -5.10 113.62 97.64 1wxm n SER 6 Ca -0.07 0.43 -0.53 0.00 -1.33 0.00 0.00 58.87 57.37 1wxm n SER 6 Cb 0.29 1.15 -0.08 0.00 -0.75 0.00 0.00 64.21 64.82 1wxm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxm n GLY 7 N -1.16 0.49 2.62 0.46 0.00 -1.26 -4.81 105.19 101.53 1wxm n GLY 7 Ca 0.00 0.96 -0.41 0.00 0.00 0.00 0.00 46.02 46.57 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 6.23 4.69 3.64 -0.02 0.00 -1.26 -4.86 105.19 113.61 1wxm n GLY 8 Ca 0.40 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 1.06 0.00 0.00 2.61 -4.23 -1.26 -3.33 115.64 110.49 1wxm s THR 9 Ca 0.51 -1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1wxm s THR 9 Cb 0.15 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 1wxm s THR 9 CO -0.06 0.00 0.02 -0.69 -0.54 0.00 0.00 174.62 173.35 1wxm s VAL 10 N -3.32 0.05 -0.15 2.29 1.01 0.15 -4.78 120.40 115.67 1wxm s VAL 10 Ca 0.22 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1wxm s VAL 10 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1wxm s VAL 10 CO 0.13 -0.25 0.44 -0.54 0.00 0.00 0.00 175.10 174.88 1wxm s LYS 11 N -0.74 4.29 -0.26 2.72 1.02 -1.26 0.02 119.74 125.53 1wxm s LYS 11 Ca -0.08 0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.24 1wxm s LYS 11 Cb -0.05 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1wxm s LYS 11 CO -0.00 0.11 -0.05 0.08 -0.92 0.00 0.00 175.35 174.56 1wxm s VAL 12 N 0.80 2.87 -0.34 3.17 1.01 0.13 -3.09 120.40 124.96 1wxm s VAL 12 Ca 0.23 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1wxm s VAL 12 Cb -0.15 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1wxm s VAL 12 CO 0.09 0.15 0.77 -0.31 0.00 0.00 0.00 175.10 175.80 1wxm s TYR 13 N 1.31 3.15 0.40 5.22 2.02 -0.46 0.26 117.35 129.26 1wxm s TYR 13 Ca -0.01 0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 57.28 1wxm s TYR 13 Cb -0.17 -3.31 -0.04 0.00 -0.40 0.00 0.00 41.96 38.04 1wxm s TYR 13 CO -0.04 -0.66 0.68 -0.51 -1.57 0.00 0.00 175.55 173.45 1wxm s LEU 14 N 3.01 3.83 -1.18 -1.29 1.43 0.15 0.30 118.68 124.93 1wxm s LEU 14 Ca 0.31 0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 54.02 1wxm s LEU 14 Cb -0.14 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1wxm s LEU 14 CO 0.15 -0.41 1.94 -0.81 0.23 0.00 0.00 176.35 177.45 1wxm n PRO 15 N -1.77 2.30 0.00 1.29 -0.04 -1.01 -3.54 135.00 132.24 1wxm n PRO 15 Ca -0.01 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.87 1wxm n PRO 15 Cb 0.55 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 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 9.27 0.00 -1.92 3.54 5.15 -1.26 -4.92 115.26 125.13 1wxm n ASN 16 Ca 0.49 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.40 1wxm n ASN 16 Cb 0.43 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.67 1wxm n ASN 16 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wxm n LYS 17 N 0.00 -1.97 -4.28 1.20 5.02 -1.24 -4.88 118.16 112.01 1wxm n LYS 17 Ca 0.00 0.34 -0.24 0.00 -2.02 0.00 0.00 58.31 56.39 1wxm n LYS 17 Cb 0.00 -4.71 -0.08 0.00 -0.02 0.00 0.00 35.03 30.22 1wxm n LYS 17 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wxm s GLN 18 N -3.96 2.27 0.01 1.97 -0.21 -1.23 -5.01 119.66 113.50 1wxm s GLN 18 Ca 0.00 -1.35 -0.10 0.00 0.02 0.00 0.00 55.36 53.93 1wxm s GLN 18 Cb 0.00 -2.19 0.01 0.00 1.00 0.00 0.00 33.01 31.83 1wxm s GLN 18 CO 0.00 0.39 0.20 -0.98 -2.12 0.00 0.00 175.29 172.77 1wxm s ARG 19 N -3.45 0.60 -0.02 2.91 3.03 -1.26 0.32 118.95 121.10 1wxm s ARG 19 Ca 0.30 -0.45 -0.00 0.00 2.03 0.00 0.00 55.73 57.61 1wxm s ARG 19 Cb -0.07 0.25 0.02 0.00 -1.03 0.00 0.00 34.95 34.12 1wxm s ARG 19 CO 0.19 -0.16 0.03 -0.08 -1.13 0.00 0.00 175.30 174.15 1wxm s THR 20 N -1.84 -0.04 -0.01 4.99 -1.32 0.14 -4.93 115.64 112.64 1wxm s THR 20 Ca -0.11 0.13 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 1wxm s THR 20 Cb -0.05 -0.07 -0.05 0.00 -1.51 0.00 0.00 72.50 70.82 1wxm s THR 20 CO 0.00 0.05 0.61 -0.69 -2.21 0.00 0.00 174.62 172.38 1wxm s VAL 21 N 0.65 4.91 0.30 5.08 1.01 -1.26 0.22 120.40 131.31 1wxm s VAL 21 Ca -0.05 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1wxm s VAL 21 Cb -0.08 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1wxm s VAL 21 CO -0.02 0.40 -0.01 -0.69 0.00 0.00 0.00 175.10 174.78 1wxm s VAL 22 N -0.12 1.45 0.27 2.92 1.01 0.10 -4.92 120.40 121.11 1wxm s VAL 22 Ca 0.32 -2.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.09 1wxm s VAL 22 Cb -0.18 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 1wxm s VAL 22 CO 0.17 -0.19 0.67 -0.89 0.00 0.00 0.00 175.10 174.86 1wxm s THR 23 N -3.13 4.75 -0.44 3.92 2.01 -1.26 0.33 115.64 121.81 1wxm s THR 23 Ca 0.32 0.86 -0.20 0.00 0.31 0.00 0.00 61.69 62.97 1wxm s THR 23 Cb 0.06 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.94 1wxm s THR 23 CO 0.13 -0.06 0.62 -0.69 -0.69 0.00 0.00 174.62 173.93 1wxm s VAL 24 N -1.83 4.85 0.00 3.82 1.01 -1.21 -4.76 120.40 122.27 1wxm s VAL 24 Ca 0.49 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1wxm s VAL 24 Cb -0.12 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1wxm s VAL 24 CO 0.19 -0.59 0.00 0.54 0.00 0.00 0.00 175.10 175.24 1wxm n ARG 25 N 6.20 1.77 0.00 2.72 1.74 -1.26 -4.96 116.66 122.88 1wxm n ARG 25 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1wxm n ARG 25 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1wxm n ARG 25 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1wxm n ASP 26 N -1.49 0.14 0.00 0.55 5.68 -1.26 -3.67 116.55 116.51 1wxm n ASP 26 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1wxm n ASP 26 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wxm n GLY 27 N 2.10 -2.86 3.06 6.12 0.00 -1.26 -3.89 105.19 108.47 1wxm n GLY 27 Ca 0.00 0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.79 -0.20 -2.74 1.61 0.00 -1.26 -4.81 117.12 107.93 1wxm n MET 28 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 57.70 57.51 1wxm n MET 28 Cb 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 33.22 32.07 1wxm n MET 28 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1wxm n SER 29 N 2.55 1.97 -0.08 3.17 7.64 -1.26 -3.27 113.62 124.34 1wxm n SER 29 Ca -0.01 -1.97 -0.12 0.00 1.01 0.00 0.00 58.87 57.78 1wxm n SER 29 Cb 0.65 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.81 1wxm n SER 29 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1wxm h VAL 30 N 0.64 1.28 0.07 0.44 2.07 -1.08 -0.63 116.25 119.05 1wxm h VAL 30 Ca -0.18 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1wxm h VAL 30 Cb 0.64 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1wxm h VAL 30 CO 0.28 0.33 -0.07 0.22 0.02 0.00 0.00 177.57 178.35 1wxm h TYR 31 N 0.20 -0.19 -0.02 1.57 5.03 -1.72 0.88 116.97 122.71 1wxm h TYR 31 Ca 0.06 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1wxm h TYR 31 Cb 0.52 0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.87 1wxm h TYR 31 CO 0.05 -0.12 -0.04 -0.44 -1.32 0.00 0.00 178.16 176.30 1wxm h ASP 32 N -0.17 0.03 0.13 -2.11 5.19 -1.87 1.66 116.42 119.28 1wxm h ASP 32 Ca 0.01 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1wxm h ASP 32 Cb 0.16 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1wxm h ASP 32 CO -0.02 0.07 -0.06 0.28 -3.12 0.00 0.00 179.24 176.38 1wxm h SER 33 N 0.03 -0.15 -0.12 6.45 0.02 -0.06 -3.17 113.55 116.54 1wxm h SER 33 Ca 0.01 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1wxm h SER 33 Cb 0.09 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1wxm h SER 33 CO 0.01 0.44 0.00 0.18 -1.14 0.00 0.00 176.83 176.32 1wxm n LEU 34 N -4.88 0.75 0.16 5.07 7.99 0.30 -3.88 117.00 122.52 1wxm n LEU 34 Ca -0.07 -0.38 -0.14 0.00 -0.01 0.00 0.00 56.01 55.41 1wxm n LEU 34 Cb 0.26 -0.12 -0.08 0.00 -0.11 0.00 0.00 43.42 43.36 1wxm n LEU 34 CO 0.23 0.18 0.63 -0.78 -1.51 0.00 0.00 177.39 176.13 1wxm h ASP 35 N 0.71 -0.34 -0.01 -1.43 3.58 0.25 -2.48 116.42 116.70 1wxm h ASP 35 Ca 0.00 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1wxm h ASP 35 Cb 0.21 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1wxm h ASP 35 CO 0.01 -0.06 -0.02 0.11 -2.88 0.00 0.00 179.24 176.40 1wxm h LYS 36 N -0.63 0.03 -1.55 0.28 1.79 -1.75 0.13 116.57 114.88 1wxm h LYS 36 Ca -0.04 -0.02 0.51 0.00 -2.18 0.00 0.00 60.65 58.92 1wxm h LYS 36 Cb 0.45 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.98 1wxm h LYS 36 CO 0.07 0.57 1.03 0.00 -1.08 0.00 0.00 179.45 180.04 1wxm n ALA 37 N -2.38 1.52 -0.04 3.86 0.00 -1.23 0.15 120.51 122.39 1wxm n ALA 37 Ca -0.08 0.82 -0.02 0.00 0.00 0.00 0.00 53.44 54.15 1wxm n ALA 37 Cb 0.29 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1wxm n ALA 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wxm h LEU 38 N 0.00 0.00 -0.98 0.00 3.38 -1.29 -3.36 115.31 113.07 1wxm h LEU 38 Ca 0.90 0.00 0.14 0.00 0.09 0.00 0.00 57.88 59.01 1wxm h LEU 38 Cb 3.11 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 43.71 1wxm h LEU 38 CO -0.35 0.41 -0.41 0.29 0.09 0.00 0.00 178.44 178.47 1wxm n LYS 39 N -3.56 -0.26 -0.33 1.13 5.02 0.46 0.21 118.16 120.83 1wxm n LYS 39 Ca -0.04 1.50 0.20 0.00 -2.02 0.00 0.00 58.31 57.95 1wxm n LYS 39 Cb 0.14 -2.22 0.38 0.00 -0.02 0.00 0.00 35.03 33.31 1wxm n LYS 39 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1wxm n VAL 40 N -5.41 -0.41 0.00 -0.18 3.14 0.41 0.18 118.33 116.07 1wxm n VAL 40 Ca 0.09 2.08 -0.09 0.00 -2.96 0.00 0.00 64.34 63.46 1wxm n VAL 40 Cb 0.37 -3.15 -0.13 0.00 -1.06 0.00 0.00 33.84 29.86 1wxm n VAL 40 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1wxm h ARG 41 N 0.00 0.01 0.00 1.45 3.08 0.20 -3.48 114.38 115.65 1wxm h ARG 41 Ca 0.67 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1wxm h ARG 41 Cb 1.54 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1wxm h ARG 41 CO -0.86 0.67 0.00 0.41 -1.07 0.00 0.00 179.97 179.12 1wxm n GLY 42 N 1.51 1.17 2.72 0.04 0.00 0.55 -5.10 105.19 106.08 1wxm n GLY 42 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1wxm n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wxm n LEU 43 N 0.00 0.00 -4.07 0.99 4.77 -0.77 -4.86 117.00 113.06 1wxm n LEU 43 Ca 0.00 -0.85 -0.12 0.00 -0.03 0.00 0.00 56.01 55.02 1wxm n LEU 43 Cb 0.00 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.17 1wxm n LEU 43 CO 0.00 -2.19 -0.39 0.21 -1.33 0.00 0.00 177.39 173.69 1wxm s ASN 44 N -3.49 0.78 -0.28 -1.43 2.47 -1.26 -4.38 114.94 107.35 1wxm s ASN 44 Ca 0.56 -0.65 -0.02 0.00 0.42 0.00 0.00 52.86 53.17 1wxm s ASN 44 Cb -0.07 0.07 0.13 0.00 -1.45 0.00 0.00 41.25 39.92 1wxm s ASN 44 CO 0.44 -0.29 2.26 0.00 -3.72 0.00 0.00 177.10 175.79 1wxm n GLN 45 N 1.14 1.83 0.00 0.43 3.00 -1.26 -3.32 117.38 119.20 1wxm n GLN 45 Ca -0.21 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.30 1wxm n GLN 45 Cb 0.56 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1wxm n GLN 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wxm n ASP 46 N 0.72 0.00 -1.84 1.08 9.92 -1.26 -4.84 116.55 120.34 1wxm n ASP 46 Ca 0.31 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.44 1wxm n ASP 46 Cb 0.58 0.10 0.18 0.00 -0.64 0.00 0.00 41.12 41.34 1wxm n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wxm s VAL 49 N -4.08 0.10 -0.06 0.00 0.11 0.15 -4.71 120.40 111.91 1wxm s VAL 49 Ca 0.28 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1wxm s VAL 49 Cb 0.07 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1wxm s VAL 49 CO 0.05 -0.45 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.50 1wxm s VAL 50 N -3.27 1.52 -0.09 2.04 1.01 -1.26 0.05 120.40 120.41 1wxm s VAL 50 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1wxm s VAL 50 Cb 0.02 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1wxm s VAL 50 CO -0.08 0.44 -0.11 -0.31 0.00 0.00 0.00 175.10 175.04 1wxm s TYR 51 N 0.27 2.83 -0.12 5.22 2.02 0.13 -0.34 117.35 127.37 1wxm s TYR 51 Ca -0.10 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 1wxm s TYR 51 Cb -0.14 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1wxm s TYR 51 CO 0.04 0.10 0.06 1.03 -1.57 0.00 0.00 175.55 175.21 1wxm s ARG 52 N -0.36 3.33 -0.85 -0.62 0.52 0.14 0.16 118.95 121.26 1wxm s ARG 52 Ca 0.04 -0.31 -0.18 0.00 -0.52 0.00 0.00 55.73 54.76 1wxm s ARG 52 Cb -0.12 -3.00 0.14 0.00 0.52 0.00 0.00 34.95 32.48 1wxm s ARG 52 CO 0.02 0.64 1.01 -0.51 0.02 0.00 0.00 175.30 176.48 1wxm s LEU 53 N -0.67 5.32 0.00 2.53 2.01 -1.16 0.04 118.68 126.75 1wxm s LEU 53 Ca 0.12 -1.99 0.00 0.00 0.01 0.00 0.00 54.13 52.26 1wxm s LEU 53 Cb -0.12 -2.36 0.00 0.00 0.01 0.00 0.00 46.19 43.72 1wxm s LEU 53 CO 0.02 -1.02 0.00 -0.38 1.01 0.00 0.00 176.35 175.98 1wxm n ILE 54 N 5.28 0.00 -2.37 -0.59 -0.00 -1.25 -4.64 119.36 115.78 1wxm n ILE 54 Ca 0.16 0.49 -0.30 0.00 -0.00 0.00 0.00 62.75 63.10 1wxm n ILE 54 Cb 0.48 -1.49 0.01 0.00 -0.00 0.00 0.00 39.64 38.64 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 -2.46 3.30 -1.86 0.38 4.76 -1.26 -4.84 118.16 116.18 1wxm n LYS 55 Ca 0.00 -4.30 -0.20 0.00 -2.87 0.00 0.00 58.31 50.95 1wxm n LYS 55 Cb 0.00 -2.26 -0.06 0.00 -1.84 0.00 0.00 35.03 30.88 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wxm n GLY 56 N -0.48 1.05 2.97 0.72 0.00 -1.26 -4.96 105.19 103.23 1wxm n GLY 56 Ca 0.42 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.13 1.30 -0.42 1.61 0.52 -1.26 -5.08 118.95 111.49 1wxm s ARG 57 Ca 0.00 -0.28 -0.28 0.00 -0.52 0.00 0.00 55.73 54.65 1wxm s ARG 57 Cb 0.00 -1.14 -0.08 0.00 0.52 0.00 0.00 34.95 34.25 1wxm s ARG 57 CO 0.00 -0.01 2.35 1.63 0.02 0.00 0.00 175.30 179.29 1wxm n LYS 58 N 3.87 1.26 -3.25 3.54 4.01 -1.26 -3.94 118.16 122.40 1wxm n LYS 58 Ca -0.24 0.20 -0.46 0.00 -0.51 0.00 0.00 58.31 57.31 1wxm n LYS 58 Cb 0.51 -3.12 -0.04 0.00 -0.51 0.00 0.00 35.03 31.87 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 10.15 5.16 -0.05 -0.18 2.01 0.11 -4.74 115.64 128.09 1wxm s THR 59 Ca 1.03 -1.53 -0.38 0.00 0.31 0.00 0.00 61.69 61.13 1wxm s THR 59 Cb -0.39 -4.42 -0.16 0.00 0.01 0.00 0.00 72.50 67.54 1wxm s THR 59 CO 0.34 -0.99 1.54 0.52 -0.69 0.00 0.00 174.62 175.33 1wxm n VAL 60 N 5.12 0.15 -4.30 3.82 0.31 -1.26 0.26 118.33 122.44 1wxm n VAL 60 Ca -0.07 -0.03 -0.34 0.00 -0.01 0.00 0.00 64.34 63.90 1wxm n VAL 60 Cb 0.42 -1.08 -0.09 0.00 -0.91 0.00 0.00 33.84 32.18 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 1.86 4.31 0.65 2.52 -1.32 0.54 -4.86 115.64 119.34 1wxm s THR 61 Ca 0.90 -0.42 -0.13 0.00 -1.21 0.00 0.00 61.69 60.84 1wxm s THR 61 Cb -0.96 -2.88 -0.01 0.00 -1.51 0.00 0.00 72.50 67.13 1wxm s THR 61 CO 0.53 0.47 1.05 0.00 -2.21 0.00 0.00 174.62 174.47 1wxm s ALA 62 N -1.01 2.75 -0.14 11.08 0.00 -1.26 -4.51 121.76 128.67 1wxm s ALA 62 Ca 0.17 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 1wxm s ALA 62 Cb -0.11 -3.18 -0.20 0.00 0.00 0.00 0.00 23.12 19.63 1wxm s ALA 62 CO 0.07 -1.00 0.55 -1.49 0.00 0.00 0.00 175.76 173.89 1wxm h TRP 63 N -0.26 0.00 -0.93 0.00 4.06 -1.98 -3.27 115.95 113.57 1wxm h TRP 63 Ca -0.45 0.00 0.26 0.00 2.06 0.00 0.00 58.89 60.76 1wxm h TRP 63 Cb 1.21 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.33 1wxm h TRP 63 CO 0.61 0.84 0.66 0.22 -3.56 0.00 0.00 178.44 177.22 1wxm h ASP 64 N -1.00 0.07 -2.86 -3.49 1.82 -1.98 -2.95 116.42 106.03 1wxm h ASP 64 Ca -0.04 0.01 -0.55 0.00 -0.39 0.00 0.00 57.03 56.07 1wxm h ASP 64 Cb 0.84 -0.00 0.22 0.00 0.68 0.00 0.00 39.33 41.06 1wxm h ASP 64 CO -0.02 0.02 -0.97 0.41 -1.61 0.00 0.00 179.24 177.07 1wxm n THR 65 N -4.31 0.35 -3.06 2.25 -1.04 -1.23 -4.69 114.28 102.55 1wxm n THR 65 Ca 0.20 -0.34 -0.21 0.00 -2.04 0.00 0.00 64.05 61.65 1wxm n THR 65 Cb 0.96 -0.42 0.01 0.00 -1.82 0.00 0.00 70.33 69.06 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 -2.16 3.95 -2.81 2.41 0.00 -1.26 -0.87 121.76 121.03 1wxm s ALA 66 Ca 0.53 -1.25 0.23 0.00 0.00 0.00 0.00 51.96 51.48 1wxm s ALA 66 Cb -0.25 -1.97 0.17 0.00 0.00 0.00 0.00 23.12 21.07 1wxm s ALA 66 CO 0.70 -0.34 1.22 1.51 0.00 0.00 0.00 175.76 178.85 1wxm n ILE 67 N -1.99 0.00 0.14 0.00 0.13 -1.20 -4.31 119.36 112.12 1wxm n ILE 67 Ca 0.02 -0.48 -0.13 0.00 -1.10 0.00 0.00 62.75 61.07 1wxm n ILE 67 Cb 0.58 1.46 -0.08 0.00 -0.84 0.00 0.00 39.64 40.77 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 4.47 -0.38 0.00 1.51 0.00 -1.67 -3.26 119.26 119.93 1wxm h ALA 68 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 1wxm h ALA 68 Cb 0.94 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1wxm h ALA 68 CO 0.00 -0.51 1.69 -0.35 0.00 0.00 0.00 179.25 180.08 1wxm n PRO 69 N -5.09 2.21 0.00 0.00 -0.04 -1.26 -4.57 135.00 126.25 1wxm n PRO 69 Ca -0.09 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1wxm n PRO 69 Cb 0.26 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1wxm n PRO 69 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1wxm n LEU 70 N 3.36 0.00 0.21 1.53 -0.00 -1.23 -5.01 117.00 115.86 1wxm n LEU 70 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1wxm n LEU 70 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1wxm n LEU 70 CO 0.50 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 177.22 1wxm n ASP 71 N 0.00 -3.04 -3.62 1.45 -0.08 -1.26 -4.87 116.55 105.13 1wxm n ASP 71 Ca 0.00 0.77 -0.41 0.00 -1.51 0.00 0.00 54.79 53.64 1wxm n ASP 71 Cb 0.00 2.89 -0.01 0.00 2.34 0.00 0.00 41.12 46.35 1wxm n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wxm n GLY 72 N -0.66 4.40 1.46 0.27 0.00 -1.26 -4.73 105.19 104.66 1wxm n GLY 72 Ca 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 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 5.29 0.43 -3.65 1.61 0.00 -1.26 -4.89 120.64 118.17 1wxm n GLU 73 Ca 0.59 -0.85 -0.21 0.00 0.00 0.00 0.00 57.16 56.69 1wxm n GLU 73 Cb 0.34 1.07 -0.17 0.00 0.00 0.00 0.00 31.44 32.68 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 -2.03 -0.02 0.02 3.44 2.02 -1.26 -4.34 118.70 116.52 1wxm s GLU 74 Ca 0.06 0.31 -0.19 0.00 0.02 0.00 0.00 54.97 55.18 1wxm s GLU 74 Cb -0.02 -0.76 -0.06 0.00 0.10 0.00 0.00 34.13 33.39 1wxm s GLU 74 CO 0.05 -0.41 0.53 -0.51 0.02 0.00 0.00 175.26 174.94 1wxm s LEU 75 N 2.19 4.47 -0.26 1.80 1.43 -1.18 -2.98 118.68 124.15 1wxm s LEU 75 Ca 0.04 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1wxm s LEU 75 Cb -0.13 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.31 1wxm s LEU 75 CO -0.05 0.22 -0.06 -0.63 0.23 0.00 0.00 176.35 176.07 1wxm s ILE 76 N -0.73 2.77 -0.09 -0.59 1.01 0.12 -1.35 121.20 122.34 1wxm s ILE 76 Ca 0.28 -1.22 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 1wxm s ILE 76 Cb -0.18 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1wxm s ILE 76 CO 0.17 0.09 0.47 -0.69 0.00 0.00 0.00 174.94 174.97 1wxm s VAL 77 N 1.27 5.15 0.17 2.92 1.01 0.15 0.21 120.40 131.27 1wxm s VAL 77 Ca -0.03 0.95 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 1wxm s VAL 77 Cb -0.18 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1wxm s VAL 77 CO -0.04 0.37 0.11 -1.61 0.00 0.00 0.00 175.10 173.93 1wxm s GLU 78 N 0.33 1.10 -0.19 2.72 0.41 0.11 -2.41 118.70 120.77 1wxm s GLU 78 Ca 0.26 -1.55 -0.09 0.00 -0.41 0.00 0.00 54.97 53.18 1wxm s GLU 78 Cb -0.16 0.26 -0.05 0.00 -1.78 0.00 0.00 34.13 32.41 1wxm s GLU 78 CO 0.11 -0.35 0.10 0.08 -0.49 0.00 0.00 175.26 174.71 1wxm s VAL 79 N -4.11 5.11 0.01 2.63 1.01 -1.26 0.35 120.40 124.14 1wxm s VAL 79 Ca 0.33 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1wxm s VAL 79 Cb 0.07 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1wxm s VAL 79 CO 0.08 0.45 1.09 -0.07 0.00 0.00 0.00 175.10 176.65 1wxm h LEU 80 N 6.63 -0.21-10.10 3.92 3.38 -1.31 -3.43 115.31 114.19 1wxm h LEU 80 Ca -0.39 0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.11 1wxm h LEU 80 Cb 1.16 0.07 0.21 0.00 0.09 0.00 0.00 40.66 42.19 1wxm h LEU 80 CO 0.73 -0.11 -0.08 -1.20 0.09 0.00 0.00 178.44 177.87 1wxm n SER 81 N -2.73 -1.07 0.00 -0.43 7.64 -1.26 -4.90 113.62 110.86 1wxm n SER 81 Ca -0.02 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1wxm n SER 81 Cb 0.07 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1wxm n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxm n GLY 82 N 0.88 0.74 3.78 0.23 0.00 -1.26 -5.10 105.19 104.46 1wxm n GLY 82 Ca 0.06 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1wxm n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wxm s PRO 83 N -1.06 0.56 0.15 1.61 0.04 -1.26 -5.00 135.00 130.03 1wxm s PRO 83 Ca 0.00 0.07 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 1wxm s PRO 83 Cb 0.00 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 1wxm s PRO 83 CO 0.00 -2.55 1.06 -1.12 0.04 0.00 0.00 177.00 174.43 1wxm s SER 84 N -4.18 7.33 -0.38 6.66 0.01 -1.26 -5.02 113.70 116.87 1wxm s SER 84 Ca 0.67 1.99 -0.02 0.00 1.31 0.00 0.00 55.95 59.90 1wxm s SER 84 Cb -0.11 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.61 1wxm s SER 84 CO 0.54 -0.18 0.15 -0.94 0.41 0.00 0.00 173.24 173.21 1wxm s SER 85 N -0.01 5.16 0.00 2.44 1.04 -1.26 -5.30 113.70 115.76 1wxm s SER 85 Ca 0.49 -1.83 0.13 0.00 0.48 0.00 0.00 55.95 55.22 1wxm s SER 85 Cb -0.27 -1.80 0.10 0.00 0.10 0.00 0.00 66.02 64.15 1wxm s SER 85 CO 0.33 -0.46 0.90 0.61 0.98 0.00 0.00 173.24 175.60