#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 5.09 -0.42 1.61 0.01 -1.26 -4.91 113.70 113.81 1wxm s SER 2 Ca 0.00 1.21 -0.05 0.00 1.31 0.00 0.00 55.95 58.42 1wxm s SER 2 Cb 0.00 -2.51 0.11 0.00 0.21 0.00 0.00 66.02 63.82 1wxm s SER 2 CO 0.00 -2.36 0.24 -0.44 0.41 0.00 0.00 173.24 171.09 1wxm s SER 3 N 9.46 5.41 0.00 2.44 0.01 -1.26 -5.06 113.70 124.71 1wxm s SER 3 Ca 0.90 -1.90 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1wxm s SER 3 Cb -0.21 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1wxm s SER 3 CO 0.29 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1wxm n GLY 4 N 4.72 5.50 2.29 3.44 0.00 -1.26 -5.04 105.19 114.84 1wxm n GLY 4 Ca -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.36 -9.55 -3.37 1.61 2.88 -1.26 -5.08 113.62 98.49 1wxm n SER 5 Ca 0.00 1.74 0.02 0.00 -1.33 0.00 0.00 58.87 59.29 1wxm n SER 5 Cb 0.00 -5.27 -0.04 0.00 -0.75 0.00 0.00 64.21 58.15 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 -0.58 -0.48 0.00 -3.46 0.15 -1.26 -5.12 113.70 102.94 1wxm s SER 6 Ca 0.00 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1wxm s SER 6 Cb 0.00 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 1wxm s SER 6 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1wxm n GLY 7 N 4.83 0.26 2.73 9.45 0.00 -1.26 -4.86 105.19 116.34 1wxm n GLY 7 Ca -0.09 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.48 3.73 -0.02 0.00 -1.26 -5.12 105.19 103.00 1wxm n GLY 8 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.36 0.00 0.02 2.61 -4.23 -1.26 -3.22 115.64 109.92 1wxm s THR 9 Ca 0.25 -1.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1wxm s THR 9 Cb 0.27 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1wxm s THR 9 CO -0.11 -0.01 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.19 1wxm s VAL 10 N -3.95 0.66 -0.10 2.29 1.01 0.14 -4.75 120.40 115.70 1wxm s VAL 10 Ca 0.15 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1wxm s VAL 10 Cb -0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1wxm s VAL 10 CO 0.07 -0.09 0.42 -0.54 0.00 0.00 0.00 175.10 174.95 1wxm s LYS 11 N -0.93 4.22 -0.07 2.72 1.02 -1.20 -0.02 119.74 125.47 1wxm s LYS 11 Ca -0.02 0.35 0.05 0.00 0.02 0.00 0.00 55.97 56.37 1wxm s LYS 11 Cb -0.07 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1wxm s LYS 11 CO 0.00 0.30 -0.24 0.08 -0.92 0.00 0.00 175.35 174.57 1wxm s VAL 12 N 0.18 2.04 -0.34 3.17 1.01 0.16 -2.43 120.40 124.20 1wxm s VAL 12 Ca 0.23 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1wxm s VAL 12 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1wxm s VAL 12 CO 0.09 0.56 0.28 -0.31 0.00 0.00 0.00 175.10 175.73 1wxm s TYR 13 N 0.03 3.22 0.75 5.22 2.02 0.17 0.28 117.35 129.04 1wxm s TYR 13 Ca -0.09 -0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 1wxm s TYR 13 Cb -0.15 -2.54 0.04 0.00 -0.40 0.00 0.00 41.96 38.91 1wxm s TYR 13 CO 0.06 -0.38 1.09 -0.51 -1.57 0.00 0.00 175.55 174.24 1wxm s LEU 14 N 1.82 2.78 -1.04 -1.29 1.43 0.13 0.65 118.68 123.15 1wxm s LEU 14 Ca 0.08 1.30 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 1wxm s LEU 14 Cb -0.17 -4.02 -0.00 0.00 0.03 0.00 0.00 46.19 42.03 1wxm s LEU 14 CO 0.11 -1.67 1.73 -2.16 0.23 0.00 0.00 176.35 174.59 1wxm s PRO 15 N -5.20 3.14 0.00 1.29 0.04 -0.43 -3.28 135.00 130.56 1wxm s PRO 15 Ca 0.59 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1wxm s PRO 15 Cb -0.13 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1wxm s PRO 15 CO 0.54 -2.87 0.00 -1.71 0.04 0.00 0.00 177.00 172.99 1wxm n ASN 16 N 11.35 0.00 0.00 6.66 2.85 -1.26 -4.95 115.26 129.91 1wxm n ASN 16 Ca 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1wxm n ASN 16 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 0.00 0.00 -0.83 1.20 2.85 -1.20 -5.15 118.16 115.03 1wxm n LYS 17 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 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 0.71 0.06 -1.58 -1.52 -1.26 -4.75 119.66 111.31 1wxm s GLN 18 Ca 0.00 1.17 -0.08 0.00 -1.95 0.00 0.00 55.36 54.51 1wxm s GLN 18 Cb 0.00 -1.72 -0.01 0.00 -0.22 0.00 0.00 33.01 31.07 1wxm s GLN 18 CO 0.00 -2.72 0.15 -0.98 -0.25 0.00 0.00 175.29 171.49 1wxm s ARG 19 N -4.69 0.72 0.01 2.91 3.03 -1.26 0.17 118.95 119.85 1wxm s ARG 19 Ca 0.66 -0.84 0.02 0.00 2.03 0.00 0.00 55.73 57.60 1wxm s ARG 19 Cb -0.22 0.29 -0.01 0.00 -1.03 0.00 0.00 34.95 33.98 1wxm s ARG 19 CO 0.59 -0.21 -0.07 -0.08 -1.13 0.00 0.00 175.30 174.41 1wxm s THR 20 N -3.20 0.50 -0.21 4.99 -1.32 0.14 -4.92 115.64 111.62 1wxm s THR 20 Ca -0.00 -0.54 -0.13 0.00 -1.21 0.00 0.00 61.69 59.81 1wxm s THR 20 Cb 0.02 -0.47 -0.05 0.00 -1.51 0.00 0.00 72.50 70.49 1wxm s THR 20 CO -0.07 -0.04 0.27 -0.69 -2.21 0.00 0.00 174.62 171.88 1wxm s VAL 21 N -0.56 5.29 0.24 5.08 1.01 -1.26 0.41 120.40 130.61 1wxm s VAL 21 Ca -0.02 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.51 1wxm s VAL 21 Cb -0.05 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1wxm s VAL 21 CO 0.00 0.32 -0.01 -0.69 0.00 0.00 0.00 175.10 174.72 1wxm s VAL 22 N 1.00 3.49 -0.01 2.92 1.01 0.97 -4.89 120.40 124.89 1wxm s VAL 22 Ca 0.14 -1.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.15 1wxm s VAL 22 Cb -0.14 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1wxm s VAL 22 CO 0.05 -0.29 0.55 -0.89 0.00 0.00 0.00 175.10 174.53 1wxm s THR 23 N -2.12 4.94 -0.47 3.92 2.01 -1.26 0.27 115.64 122.92 1wxm s THR 23 Ca 0.30 1.16 -0.27 0.00 0.31 0.00 0.00 61.69 63.18 1wxm s THR 23 Cb -0.07 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.58 1wxm s THR 23 CO 0.19 0.44 1.03 -0.69 -0.69 0.00 0.00 174.62 174.90 1wxm s VAL 24 N -0.28 4.34 0.40 3.82 1.01 -1.20 -4.89 120.40 123.60 1wxm s VAL 24 Ca 0.29 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1wxm s VAL 24 Cb -0.18 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 1wxm s VAL 24 CO 0.16 -0.94 0.13 -0.13 0.00 0.00 0.00 175.10 174.33 1wxm s ARG 25 N 4.11 2.17 -0.62 2.72 0.52 -1.26 -4.94 118.95 121.65 1wxm s ARG 25 Ca 0.42 -1.86 0.05 0.00 -0.52 0.00 0.00 55.73 53.81 1wxm s ARG 25 Cb -0.09 -1.93 0.16 0.00 0.52 0.00 0.00 34.95 33.62 1wxm s ARG 25 CO 0.29 -0.07 0.43 -0.51 0.02 0.00 0.00 175.30 175.45 1wxm s ASP 26 N -3.85 4.17 0.00 0.23 1.01 -1.26 -3.35 116.67 113.62 1wxm s ASP 26 Ca 0.39 -3.56 0.00 0.00 0.71 0.00 0.00 52.55 50.09 1wxm s ASP 26 Cb 0.04 -1.41 0.00 0.00 1.01 0.00 0.00 42.92 42.56 1wxm s ASP 26 CO 0.22 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.08 1wxm n GLY 27 N 2.34 -0.30 3.49 0.21 0.00 -1.26 -5.05 105.19 104.61 1wxm n GLY 27 Ca 0.19 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.79 -2.94 1.61 0.00 -1.26 -4.84 117.12 108.90 1wxm n MET 28 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 57.70 57.31 1wxm n MET 28 Cb 0.00 -2.06 0.07 0.00 0.00 0.00 0.00 33.22 31.23 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 -2.26 4.98 0.24 3.17 1.04 -1.26 -2.66 113.70 116.96 1wxm s SER 29 Ca 0.62 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1wxm s SER 29 Cb -0.21 0.15 0.28 0.00 0.10 0.00 0.00 66.02 66.34 1wxm s SER 29 CO 0.64 -1.41 1.60 0.58 0.98 0.00 0.00 173.24 175.63 1wxm h VAL 30 N 0.06 1.33 0.71 5.02 2.07 -1.12 -2.26 116.25 122.07 1wxm h VAL 30 Ca -0.32 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.45 1wxm h VAL 30 Cb 1.28 1.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1wxm h VAL 30 CO 0.41 0.52 -0.34 0.22 0.02 0.00 0.00 177.57 178.40 1wxm h TYR 31 N 0.29 -0.88 0.00 1.57 5.03 -1.75 1.33 116.97 122.57 1wxm h TYR 31 Ca 0.01 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1wxm h TYR 31 Cb 0.97 0.29 0.00 0.00 1.55 0.00 0.00 36.73 39.54 1wxm h TYR 31 CO 0.03 -0.53 0.00 -0.44 -1.32 0.00 0.00 178.16 175.90 1wxm h ASP 32 N -1.04 0.00 0.00 -2.11 3.32 -1.87 1.58 116.42 116.31 1wxm h ASP 32 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1wxm h ASP 32 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1wxm h ASP 32 CO 0.16 0.00 -0.17 0.28 -1.72 0.00 0.00 179.24 177.79 1wxm h SER 33 N 0.00 0.00 0.38 6.45 0.02 -0.75 -3.34 113.55 116.31 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 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1wxm h SER 33 CO 0.00 0.49 0.00 0.18 -1.14 0.00 0.00 176.83 176.36 1wxm n LEU 34 N -4.22 0.00 -0.03 5.07 7.99 0.45 -3.36 117.00 122.90 1wxm n LEU 34 Ca -0.02 0.35 -0.13 0.00 -0.01 0.00 0.00 56.01 56.20 1wxm n LEU 34 Cb 0.09 -0.35 -0.07 0.00 -0.11 0.00 0.00 43.42 42.98 1wxm n LEU 34 CO 0.04 -0.16 0.56 -0.78 -1.51 0.00 0.00 177.39 175.53 1wxm h ASP 35 N 0.00 -1.46 0.69 -1.43 1.82 0.22 0.67 116.42 116.93 1wxm h ASP 35 Ca 0.00 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1wxm h ASP 35 Cb 0.19 0.60 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1wxm h ASP 35 CO 0.00 -0.43 -0.34 0.50 -1.61 0.00 0.00 179.24 177.35 1wxm h LYS 36 N -0.48 -0.91 -1.59 0.28 3.64 -1.77 1.15 116.57 116.89 1wxm h LYS 36 Ca 0.08 0.06 0.50 0.00 -1.27 0.00 0.00 60.65 60.02 1wxm h LYS 36 Cb 0.63 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 32.56 1wxm h LYS 36 CO -0.45 -0.61 1.10 0.00 -2.27 0.00 0.00 179.45 177.22 1wxm n ALA 37 N -2.51 1.55 -0.06 5.00 0.00 -0.89 0.13 120.51 123.72 1wxm n ALA 37 Ca -0.14 0.72 -0.04 0.00 0.00 0.00 0.00 53.44 53.99 1wxm n ALA 37 Cb 0.39 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1wxm n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wxm n LEU 38 N -4.20 1.42 -0.36 0.00 4.77 0.18 -4.22 117.00 114.60 1wxm n LEU 38 Ca 0.40 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.98 1wxm n LEU 38 Cb 1.70 -0.79 0.12 0.00 -2.33 0.00 0.00 43.42 42.12 1wxm n LEU 38 CO 0.30 -0.48 0.64 0.29 -1.33 0.00 0.00 177.39 176.80 1wxm n LYS 39 N -4.11 -0.11 -0.33 3.23 5.02 0.39 0.19 118.16 122.43 1wxm n LYS 39 Ca -0.06 1.53 0.17 0.00 -2.02 0.00 0.00 58.31 57.93 1wxm n LYS 39 Cb 0.21 -2.28 0.33 0.00 -0.02 0.00 0.00 35.03 33.28 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 -5.57 -0.41 -0.03 -0.18 3.14 0.34 0.76 118.33 116.38 1wxm n VAL 40 Ca 0.15 2.12 -0.10 0.00 -2.96 0.00 0.00 64.34 63.54 1wxm n VAL 40 Cb 0.48 -3.14 -0.14 0.00 -1.06 0.00 0.00 33.84 29.97 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 -5.41 0.65 0.00 1.45 1.74 0.51 -4.97 116.66 110.62 1wxm n ARG 41 Ca 0.25 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1wxm n ARG 41 Cb 0.83 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 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 1.62 1.25 3.58 -0.13 0.00 0.48 -5.10 105.19 106.88 1wxm n GLY 42 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 1.22 0.45 0.99 1.43 -0.84 -4.85 118.68 117.08 1wxm s LEU 43 Ca 0.00 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.55 1wxm s LEU 43 Cb 0.00 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1wxm s LEU 43 CO 0.00 -3.71 0.10 0.21 0.23 0.00 0.00 176.35 173.18 1wxm s ASN 44 N -2.94 4.19 -0.56 2.29 2.47 -1.26 -4.20 114.94 114.93 1wxm s ASN 44 Ca 0.67 -1.34 0.01 0.00 0.42 0.00 0.00 52.86 52.62 1wxm s ASN 44 Cb -0.22 -0.10 0.44 0.00 -1.45 0.00 0.00 41.25 39.92 1wxm s ASN 44 CO 0.61 -0.65 1.71 0.00 -3.72 0.00 0.00 177.10 175.05 1wxm n GLN 45 N -1.21 3.04 0.02 0.43 3.00 -1.26 -4.13 117.38 117.28 1wxm n GLN 45 Ca -0.07 -3.68 0.00 0.00 -0.01 0.00 0.00 57.00 53.24 1wxm n GLN 45 Cb 0.66 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 28.62 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 -0.78 -0.05 -1.83 1.08 2.03 -1.26 -4.82 116.55 110.92 1wxm n ASP 46 Ca 0.54 0.07 -0.13 0.00 0.52 0.00 0.00 54.79 55.79 1wxm n ASP 46 Cb 0.71 0.10 0.17 0.00 -0.72 0.00 0.00 41.12 41.37 1wxm n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wxm s VAL 49 N -0.42 1.82 -0.13 0.00 0.11 0.13 -4.86 120.40 117.05 1wxm s VAL 49 Ca -0.05 -2.22 0.00 0.00 -2.93 0.00 0.00 61.98 56.79 1wxm s VAL 49 Cb -0.03 -2.06 0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1wxm s VAL 49 CO -0.00 -0.56 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.41 1wxm s VAL 50 N -2.86 1.35 -0.10 2.04 1.01 -1.25 0.34 120.40 120.92 1wxm s VAL 50 Ca 0.23 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1wxm s VAL 50 Cb -0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1wxm s VAL 50 CO 0.08 0.42 0.14 -0.31 0.00 0.00 0.00 175.10 175.42 1wxm s TYR 51 N 1.57 3.56 -0.18 5.22 2.02 0.11 0.40 117.35 130.04 1wxm s TYR 51 Ca 0.05 0.48 -0.09 0.00 -0.37 0.00 0.00 57.07 57.13 1wxm s TYR 51 Cb -0.13 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 1wxm s TYR 51 CO -0.10 0.70 0.12 1.03 -1.57 0.00 0.00 175.55 175.74 1wxm s ARG 52 N -1.17 3.98 -0.60 -0.62 0.52 0.13 0.10 118.95 121.29 1wxm s ARG 52 Ca 0.17 -0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 54.88 1wxm s ARG 52 Cb -0.12 -3.33 0.03 0.00 0.52 0.00 0.00 34.95 32.05 1wxm s ARG 52 CO 0.06 0.41 1.21 -0.51 0.02 0.00 0.00 175.30 176.50 1wxm s LEU 53 N 0.03 3.41 -0.39 2.53 2.01 -0.58 0.21 118.68 125.89 1wxm s LEU 53 Ca 0.09 0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.29 1wxm s LEU 53 Cb -0.11 -3.08 0.12 0.00 0.01 0.00 0.00 46.19 43.12 1wxm s LEU 53 CO -0.00 -1.54 0.15 -0.63 1.01 0.00 0.00 176.35 175.34 1wxm s ILE 54 N 5.11 1.59 -1.25 -0.59 1.09 -1.07 -4.73 121.20 121.36 1wxm s ILE 54 Ca 0.42 -2.25 -0.06 0.00 -1.10 0.00 0.00 60.65 57.67 1wxm s ILE 54 Cb -0.08 -2.15 0.01 0.00 -1.06 0.00 0.00 42.46 39.18 1wxm s ILE 54 CO 0.24 -0.75 0.76 0.29 -0.10 0.00 0.00 174.94 175.39 1wxm n LYS 55 N 4.05 -5.50 -2.94 2.79 4.01 -1.26 -2.55 118.16 116.77 1wxm n LYS 55 Ca 0.04 0.74 -0.11 0.00 -0.51 0.00 0.00 58.31 58.47 1wxm n LYS 55 Cb 0.38 -5.38 0.05 0.00 -0.51 0.00 0.00 35.03 29.58 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 -1.60 0.01 2.75 0.72 0.00 -1.26 -5.03 105.19 100.77 1wxm n GLY 56 Ca -0.05 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.12 0.18 -0.23 1.61 0.52 -1.05 -5.10 118.95 109.76 1wxm s ARG 57 Ca 0.12 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.23 1wxm s ARG 57 Cb -0.05 -1.20 -0.07 0.00 0.52 0.00 0.00 34.95 34.16 1wxm s ARG 57 CO 0.43 -0.64 2.20 1.63 0.02 0.00 0.00 175.30 178.93 1wxm n LYS 58 N 5.32 1.83 -3.61 3.54 4.01 -1.26 -2.59 118.16 125.40 1wxm n LYS 58 Ca -0.06 0.52 -0.40 0.00 -0.51 0.00 0.00 58.31 57.87 1wxm n LYS 58 Cb 0.50 -3.05 -0.09 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 7.81 3.98 0.32 -0.18 2.01 0.13 -4.77 115.64 124.94 1wxm s THR 59 Ca 1.02 -1.88 -0.24 0.00 0.31 0.00 0.00 61.69 60.90 1wxm s THR 59 Cb -0.46 -3.64 -0.16 0.00 0.01 0.00 0.00 72.50 68.25 1wxm s THR 59 CO 0.39 -0.76 0.28 0.52 -0.69 0.00 0.00 174.62 174.36 1wxm n VAL 60 N 4.80 1.23 -4.38 3.82 0.31 -1.26 0.18 118.33 123.03 1wxm n VAL 60 Ca -0.06 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.58 1wxm n VAL 60 Cb 0.41 -0.03 -0.10 0.00 -0.91 0.00 0.00 33.84 33.21 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 -1.39 1.54 0.20 2.52 -1.32 0.16 -4.71 115.64 112.64 1wxm s THR 61 Ca 0.61 -2.13 0.04 0.00 -1.21 0.00 0.00 61.69 59.01 1wxm s THR 61 Cb -0.75 -2.29 -0.03 0.00 -1.51 0.00 0.00 72.50 67.91 1wxm s THR 61 CO 0.60 -0.41 0.30 0.00 -2.21 0.00 0.00 174.62 172.91 1wxm s ALA 62 N -3.09 3.89 0.04 11.08 0.00 -1.26 -4.50 121.76 127.92 1wxm s ALA 62 Ca 0.27 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 1wxm s ALA 62 Cb 0.03 -1.69 -0.29 0.00 0.00 0.00 0.00 23.12 21.17 1wxm s ALA 62 CO 0.09 0.37 1.01 -1.49 0.00 0.00 0.00 175.76 175.74 1wxm h TRP 63 N 1.63 0.53 -0.31 0.00 4.06 -1.97 -3.24 115.95 116.66 1wxm h TRP 63 Ca -0.50 -0.39 -0.06 0.00 2.06 0.00 0.00 58.89 60.00 1wxm h TRP 63 Cb 1.22 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.34 1wxm h TRP 63 CO 0.50 1.36 -0.06 -0.44 -3.56 0.00 0.00 178.44 176.24 1wxm h ASP 64 N 0.08 0.47 -2.44 -3.49 3.32 -1.98 -2.86 116.42 109.52 1wxm h ASP 64 Ca -0.19 -0.10 -0.55 0.00 0.02 0.00 0.00 57.03 56.21 1wxm h ASP 64 Cb 2.01 -0.12 0.23 0.00 0.22 0.00 0.00 39.33 41.67 1wxm h ASP 64 CO 0.19 0.58 -1.44 0.41 -1.72 0.00 0.00 179.24 177.27 1wxm n THR 65 N -4.25 0.04 -2.50 0.35 -1.04 -1.22 -4.61 114.28 101.03 1wxm n THR 65 Ca 0.01 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.05 61.38 1wxm n THR 65 Cb 0.28 -0.20 0.07 0.00 -1.82 0.00 0.00 70.33 68.65 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 -2.11 3.64 -1.14 2.41 0.00 -1.26 -1.10 121.76 122.19 1wxm s ALA 66 Ca 0.46 -1.33 0.11 0.00 0.00 0.00 0.00 51.96 51.20 1wxm s ALA 66 Cb -0.20 -2.20 0.22 0.00 0.00 0.00 0.00 23.12 20.94 1wxm s ALA 66 CO 0.77 -1.10 1.10 1.51 0.00 0.00 0.00 175.76 178.04 1wxm n ILE 67 N -2.64 0.59 0.06 0.00 0.13 -1.09 -4.31 119.36 112.11 1wxm n ILE 67 Ca 0.10 -0.80 -0.21 0.00 -1.10 0.00 0.00 62.75 60.75 1wxm n ILE 67 Cb 0.60 0.80 -0.13 0.00 -0.84 0.00 0.00 39.64 40.07 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 2.14 -0.02 0.00 1.51 0.00 -1.79 -3.33 119.26 117.76 1wxm h ALA 68 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 1wxm h ALA 68 Cb 0.63 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1wxm h ALA 68 CO 0.00 0.52 0.66 -0.35 0.00 0.00 0.00 179.25 180.08 1wxm n PRO 69 N -3.98 1.82 0.13 0.00 -0.04 -1.26 -3.39 135.00 128.27 1wxm n PRO 69 Ca -0.13 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1wxm n PRO 69 Cb 0.88 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.95 0.06 0.00 1.53 7.99 -1.25 -5.04 117.00 123.23 1wxm n LEU 70 Ca 0.39 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.82 1wxm n LEU 70 Cb 0.56 0.28 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 1wxm n LEU 70 CO 0.31 -0.78 0.00 -0.67 -1.51 0.00 0.00 177.39 174.73 1wxm n ASP 71 N -3.47 0.00 -3.98 -1.43 2.03 -1.22 -4.06 116.55 104.42 1wxm n ASP 71 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1wxm n ASP 71 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.25 1wxm n ASP 71 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1wxm s GLY 72 N 0.00 1.33 0.00 0.27 0.00 -1.26 -4.58 107.32 103.07 1wxm s GLY 72 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1wxm s GLY 72 CO 0.00 0.80 0.00 -1.84 0.00 0.00 0.00 173.10 172.06 1wxm n GLU 73 N 4.65 0.00 -3.80 2.90 -0.00 -1.26 -5.13 120.64 118.00 1wxm n GLU 73 Ca -0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 56.90 1wxm n GLU 73 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 31.44 31.77 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 -0.83 0.27 0.18 3.44 2.02 -1.26 -3.26 118.70 119.26 1wxm s GLU 74 Ca 0.00 0.23 0.09 0.00 0.02 0.00 0.00 54.97 55.31 1wxm s GLU 74 Cb 0.00 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 1wxm s GLU 74 CO 0.00 -0.04 -0.19 -0.51 0.02 0.00 0.00 175.26 174.54 1wxm s LEU 75 N -0.03 2.47 -0.21 1.80 1.43 -1.02 -1.53 118.68 121.59 1wxm s LEU 75 Ca -0.01 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1wxm s LEU 75 Cb -0.02 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1wxm s LEU 75 CO 0.00 -0.02 -0.15 -0.63 0.23 0.00 0.00 176.35 175.78 1wxm s ILE 76 N -2.16 2.23 -0.54 -0.59 1.01 0.12 0.44 121.20 121.71 1wxm s ILE 76 Ca 0.19 -1.12 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 1wxm s ILE 76 Cb -0.05 -2.07 0.07 0.00 0.01 0.00 0.00 42.46 40.42 1wxm s ILE 76 CO 0.08 0.34 0.70 -0.69 0.00 0.00 0.00 174.94 175.37 1wxm s VAL 77 N 1.25 4.78 0.23 2.92 1.01 0.21 0.05 120.40 130.84 1wxm s VAL 77 Ca 0.01 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1wxm s VAL 77 Cb -0.15 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1wxm s VAL 77 CO -0.09 -0.96 0.28 -1.61 0.00 0.00 0.00 175.10 172.71 1wxm s GLU 78 N 2.87 3.23 -0.24 2.72 2.02 0.15 -1.31 118.70 128.14 1wxm s GLU 78 Ca 0.16 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 1wxm s GLU 78 Cb -0.20 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.28 1wxm s GLU 78 CO 0.11 0.43 -0.06 0.54 0.02 0.00 0.00 175.26 176.30 1wxm s VAL 79 N -2.00 3.03 0.03 2.63 0.11 -1.26 0.22 120.40 123.16 1wxm s VAL 79 Ca 0.33 -0.83 -0.15 0.00 -2.93 0.00 0.00 61.98 58.41 1wxm s VAL 79 Cb -0.09 -2.47 -0.07 0.00 -1.53 0.00 0.00 36.38 32.22 1wxm s VAL 79 CO 0.27 0.29 1.23 -0.07 -3.33 0.00 0.00 175.10 173.49 1wxm h LEU 80 N 8.05 -0.55 -3.12 2.54 3.38 0.47 -3.48 115.31 122.61 1wxm h LEU 80 Ca -0.37 0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.40 1wxm h LEU 80 Cb 1.13 0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.07 1wxm h LEU 80 CO 0.59 -0.28 -0.98 -1.20 0.09 0.00 0.00 178.44 176.66 1wxm n SER 81 N -3.57 -6.39 0.00 -0.43 7.64 -1.23 -4.97 113.62 104.67 1wxm n SER 81 Ca -0.05 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1wxm n SER 81 Cb 0.19 -2.90 0.00 0.00 -1.01 0.00 0.00 64.21 60.49 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 -0.11 -1.16 3.78 0.23 0.00 -1.26 -4.90 105.19 101.77 1wxm n GLY 82 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.14 0.77 0.00 1.61 0.04 -1.26 -4.90 135.00 131.12 1wxm s PRO 83 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1wxm s PRO 83 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1wxm s PRO 83 CO 0.00 -2.42 0.00 -1.13 0.04 0.00 0.00 177.00 173.49 1wxm n SER 84 N -3.90 0.00 -3.86 6.66 3.41 -1.26 -5.12 113.62 109.55 1wxm n SER 84 Ca 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.54 1wxm n SER 84 Cb 0.59 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 1wxm n SER 84 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wxm s SER 85 N -0.81 0.33 0.00 4.04 0.15 -1.26 -5.32 113.70 110.83 1wxm s SER 85 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1wxm s SER 85 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1wxm s SER 85 CO 0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01