#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 3.33 -4.07 1.61 7.64 -1.26 -4.94 113.62 115.93 1wxm n SER 2 Ca 0.00 0.34 -0.26 0.00 1.01 0.00 0.00 58.87 59.95 1wxm n SER 2 Cb 0.00 -1.53 -0.17 0.00 -1.01 0.00 0.00 64.21 61.50 1wxm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wxm s SER 3 N 7.60 2.08 0.00 6.43 0.01 -1.26 -4.96 113.70 123.60 1wxm s SER 3 Ca 1.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1wxm s SER 3 Cb -0.39 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1wxm s SER 3 CO 0.38 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1wxm n GLY 4 N 3.76 5.15 0.25 3.44 0.00 -1.26 -5.06 105.19 111.47 1wxm n GLY 4 Ca -0.22 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1wxm n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wxm h SER 5 N 0.00 -0.71 -3.57 1.61 0.87 -2.06 -3.42 113.55 106.27 1wxm h SER 5 Ca 0.00 0.06 -0.68 0.00 -1.23 0.00 0.00 61.79 59.94 1wxm h SER 5 Cb 0.00 0.24 -0.18 0.00 -0.44 0.00 0.00 62.40 62.02 1wxm h SER 5 CO 0.00 -0.33 -0.68 -0.94 -0.53 0.00 0.00 176.83 174.35 1wxm s SER 6 N -3.32 4.79 0.18 6.23 1.04 -1.26 -5.12 113.70 116.24 1wxm s SER 6 Ca -0.09 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wxm s SER 6 Cb 0.02 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.91 1wxm s SER 6 CO 0.30 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.48 1wxm n GLY 7 N 2.06 0.30 2.65 7.32 0.00 -1.26 -5.02 105.19 111.24 1wxm n GLY 7 Ca -0.17 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.00 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 5.00 -1.18 3.38 -0.02 0.00 -1.26 -5.09 105.19 106.01 1wxm n GLY 8 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 0.02 2.61 -4.23 -1.26 -2.74 115.64 110.03 1wxm s THR 9 Ca 0.02 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 58.69 1wxm s THR 9 Cb 0.04 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 1wxm s THR 9 CO -0.03 0.00 0.02 -0.69 -0.54 0.00 0.00 174.62 173.38 1wxm s VAL 10 N -3.19 0.10 -0.09 2.29 1.01 0.14 -4.77 120.40 115.88 1wxm s VAL 10 Ca 0.37 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1wxm s VAL 10 Cb 0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1wxm s VAL 10 CO 0.26 -0.46 0.47 -0.54 0.00 0.00 0.00 175.10 174.82 1wxm s LYS 11 N -1.44 4.28 -0.03 2.72 1.02 -1.26 -0.03 119.74 125.01 1wxm s LYS 11 Ca -0.16 0.46 0.07 0.00 0.02 0.00 0.00 55.97 56.36 1wxm s LYS 11 Cb -0.09 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1wxm s LYS 11 CO -0.00 0.25 -0.24 0.08 -0.92 0.00 0.00 175.35 174.52 1wxm s VAL 12 N 0.31 2.20 -0.28 3.17 1.01 0.16 -2.84 120.40 124.14 1wxm s VAL 12 Ca 0.26 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1wxm s VAL 12 Cb -0.16 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1wxm s VAL 12 CO 0.11 0.58 0.03 -0.31 0.00 0.00 0.00 175.10 175.51 1wxm s TYR 13 N -0.60 3.12 0.42 5.22 2.02 -0.54 0.41 117.35 127.40 1wxm s TYR 13 Ca 0.10 -1.20 -0.08 0.00 -0.37 0.00 0.00 57.07 55.52 1wxm s TYR 13 Cb -0.10 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.22 1wxm s TYR 13 CO -0.01 -0.63 0.75 -0.51 -1.57 0.00 0.00 175.55 173.58 1wxm s LEU 14 N 1.43 3.78 -0.68 -1.29 1.43 0.15 0.12 118.68 123.62 1wxm s LEU 14 Ca 0.02 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.06 1wxm s LEU 14 Cb -0.17 -3.91 -0.13 0.00 0.03 0.00 0.00 46.19 42.02 1wxm s LEU 14 CO -0.00 -0.45 2.64 -0.81 0.23 0.00 0.00 176.35 177.96 1wxm n PRO 15 N -1.64 2.21 -0.84 1.29 -0.04 -0.89 -3.02 135.00 132.07 1wxm n PRO 15 Ca 0.01 -1.32 -0.03 0.00 -0.04 0.00 0.00 63.50 62.13 1wxm n PRO 15 Cb 0.54 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 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 3.35 -0.38 -0.48 3.54 2.85 -1.26 -4.95 115.26 117.93 1wxm n ASN 16 Ca 0.47 -1.65 -0.06 0.00 -0.11 0.00 0.00 54.58 53.23 1wxm n ASN 16 Cb 0.40 0.10 -0.03 0.00 1.24 0.00 0.00 39.78 41.50 1wxm n ASN 16 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wxm n LYS 17 N 0.05 -1.59 -4.06 1.20 5.02 -1.17 -4.94 118.16 112.67 1wxm n LYS 17 Ca -0.13 0.68 -0.23 0.00 -2.02 0.00 0.00 58.31 56.61 1wxm n LYS 17 Cb 0.67 -4.98 -0.06 0.00 -0.02 0.00 0.00 35.03 30.64 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 -2.37 2.38 0.05 1.97 -1.52 -1.24 -5.00 119.66 113.94 1wxm s GLN 18 Ca 0.00 -1.57 -0.07 0.00 -1.95 0.00 0.00 55.36 51.77 1wxm s GLN 18 Cb 0.00 -2.18 -0.01 0.00 -0.22 0.00 0.00 33.01 30.60 1wxm s GLN 18 CO 0.00 0.07 0.14 -0.98 -0.25 0.00 0.00 175.29 174.26 1wxm s ARG 19 N -3.88 0.69 0.01 2.91 1.70 -1.26 0.33 118.95 119.46 1wxm s ARG 19 Ca 0.39 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 1wxm s ARG 19 Cb -0.02 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 1wxm s ARG 19 CO 0.23 -0.19 -0.02 -0.08 -1.08 0.00 0.00 175.30 174.16 1wxm s THR 20 N -3.11 0.11 -0.23 4.99 -1.32 0.17 -4.93 115.64 111.31 1wxm s THR 20 Ca -0.01 -0.45 -0.17 0.00 -1.21 0.00 0.00 61.69 59.85 1wxm s THR 20 Cb 0.02 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 1wxm s THR 20 CO -0.07 -0.21 0.47 -0.69 -2.21 0.00 0.00 174.62 171.91 1wxm s VAL 21 N -0.68 5.12 0.34 5.08 1.01 -1.26 0.39 120.40 130.41 1wxm s VAL 21 Ca -0.07 0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.80 1wxm s VAL 21 Cb -0.05 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1wxm s VAL 21 CO -0.00 0.16 0.19 -0.69 0.00 0.00 0.00 175.10 174.75 1wxm s VAL 22 N 1.89 3.17 -0.07 2.92 1.01 0.96 -4.90 120.40 125.38 1wxm s VAL 22 Ca 0.20 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.50 1wxm s VAL 22 Cb -0.15 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1wxm s VAL 22 CO 0.09 -0.17 0.24 -0.89 0.00 0.00 0.00 175.10 174.37 1wxm s THR 23 N -2.39 5.33 -0.46 3.92 2.01 -1.26 0.26 115.64 123.04 1wxm s THR 23 Ca 0.39 0.42 -0.24 0.00 0.31 0.00 0.00 61.69 62.56 1wxm s THR 23 Cb -0.03 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.98 1wxm s THR 23 CO 0.24 0.58 0.86 -0.69 -0.69 0.00 0.00 174.62 174.92 1wxm s VAL 24 N -1.07 4.54 0.11 3.82 1.01 -1.11 -4.86 120.40 122.83 1wxm s VAL 24 Ca 0.19 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.81 1wxm s VAL 24 Cb -0.14 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1wxm s VAL 24 CO 0.08 -0.81 -0.15 -0.13 0.00 0.00 0.00 175.10 174.09 1wxm s ARG 25 N 3.56 1.91 -0.97 2.72 0.52 -1.26 -4.95 118.95 120.48 1wxm s ARG 25 Ca 0.33 -1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 1wxm s ARG 25 Cb -0.11 -2.18 0.27 0.00 0.52 0.00 0.00 34.95 33.45 1wxm s ARG 25 CO 0.24 0.49 1.11 -3.47 0.02 0.00 0.00 175.30 173.69 1wxm n ASP 26 N 0.83 5.23 0.00 0.23 -0.08 -1.26 -3.92 116.55 117.58 1wxm n ASP 26 Ca -0.15 -3.27 0.00 0.00 -1.51 0.00 0.00 54.79 49.86 1wxm n ASP 26 Cb 0.52 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.85 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wxm n GLY 27 N 1.76 -1.15 3.48 0.27 0.00 -1.26 -5.05 105.19 103.25 1wxm n GLY 27 Ca 0.25 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.70 -1.12 1.61 0.00 -1.26 -4.86 117.12 109.79 1wxm n MET 28 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 57.70 57.24 1wxm n MET 28 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 33.22 31.10 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 -3.99 0.25 0.11 3.17 7.64 -1.26 -2.72 113.62 116.82 1wxm n SER 29 Ca 0.05 -1.00 -0.18 0.00 1.01 0.00 0.00 58.87 58.76 1wxm n SER 29 Cb 0.55 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.13 1.45 0.20 0.44 2.07 -1.53 -2.97 116.25 116.03 1wxm h VAL 30 Ca 0.00 -2.99 -0.01 0.00 0.82 0.00 0.00 66.70 64.52 1wxm h VAL 30 Cb 0.00 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1wxm h VAL 30 CO 0.00 0.88 -0.09 0.22 0.02 0.00 0.00 177.57 178.59 1wxm h TYR 31 N 0.09 -0.24 0.00 1.57 5.03 -1.78 0.69 116.97 122.32 1wxm h TYR 31 Ca -0.16 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.14 1wxm h TYR 31 Cb 2.01 0.08 0.00 0.00 1.55 0.00 0.00 36.73 40.37 1wxm h TYR 31 CO 0.08 0.11 0.00 -0.25 -1.32 0.00 0.00 178.16 176.77 1wxm n ASP 32 N -5.04 0.56 -0.07 -2.11 8.00 -1.26 0.20 116.55 116.83 1wxm n ASP 32 Ca -0.09 0.73 -0.05 0.00 0.71 0.00 0.00 54.79 56.09 1wxm n ASP 32 Cb 0.24 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.51 1wxm n ASP 32 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wxm n SER 33 N -2.22 1.67 0.00 -2.24 7.64 -0.97 -4.19 113.62 113.31 1wxm n SER 33 Ca -0.01 0.55 0.09 0.00 1.01 0.00 0.00 58.87 60.52 1wxm n SER 33 Cb 0.07 -0.82 0.47 0.00 -1.01 0.00 0.00 64.21 62.93 1wxm n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wxm n LEU 34 N -4.40 0.00 -0.08 -3.43 7.99 0.24 -3.64 117.00 113.68 1wxm n LEU 34 Ca -0.08 0.27 -0.10 0.00 -0.01 0.00 0.00 56.01 56.09 1wxm n LEU 34 Cb 0.28 -0.27 -0.07 0.00 -0.11 0.00 0.00 43.42 43.26 1wxm n LEU 34 CO 0.11 -0.10 0.50 -0.78 -1.51 0.00 0.00 177.39 175.61 1wxm h ASP 35 N 0.00 -1.27 0.34 -1.43 3.58 0.21 0.35 116.42 118.19 1wxm h ASP 35 Ca 0.00 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1wxm h ASP 35 Cb 0.16 0.52 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 1wxm h ASP 35 CO 0.00 -0.29 -0.19 0.11 -2.88 0.00 0.00 179.24 175.99 1wxm h LYS 36 N -0.30 -0.48 -1.65 0.28 1.79 -1.81 1.42 116.57 115.81 1wxm h LYS 36 Ca 0.04 0.03 0.51 0.00 -2.18 0.00 0.00 60.65 59.06 1wxm h LYS 36 Cb 0.42 0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 31.08 1wxm h LYS 36 CO -0.39 -0.32 1.15 0.00 -1.08 0.00 0.00 179.45 178.80 1wxm h ALA 37 N 0.14 3.35 0.00 3.86 0.00 -1.54 1.85 119.26 126.93 1wxm h ALA 37 Ca -0.04 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1wxm h ALA 37 Cb 0.40 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1wxm h ALA 37 CO 0.05 -1.95 -1.14 1.28 0.00 0.00 0.00 179.25 177.49 1wxm n LEU 38 N -4.29 1.86 -0.33 0.00 4.77 0.12 -4.08 117.00 115.04 1wxm n LEU 38 Ca 0.41 0.48 0.27 0.00 -0.03 0.00 0.00 56.01 57.14 1wxm n LEU 38 Cb 1.74 -0.90 0.58 0.00 -2.33 0.00 0.00 43.42 42.52 1wxm n LEU 38 CO 0.34 0.01 1.24 0.11 -1.33 0.00 0.00 177.39 177.76 1wxm h LYS 39 N -1.00 0.26 -0.30 3.23 6.56 0.48 2.16 116.57 127.96 1wxm h LYS 39 Ca -0.25 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.34 1wxm h LYS 39 Cb 1.05 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.63 1wxm h LYS 39 CO -0.15 0.17 0.20 -0.24 -2.06 0.00 0.00 179.45 177.37 1wxm h VAL 40 N 0.27 1.05 -0.11 0.50 3.04 0.25 -1.16 116.25 120.09 1wxm h VAL 40 Ca 0.61 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 66.17 1wxm h VAL 40 Cb 1.80 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1wxm h VAL 40 CO -0.24 0.07 0.00 0.54 -1.01 0.00 0.00 177.57 176.93 1wxm n ARG 41 N -4.49 1.25 -1.69 4.17 1.74 0.60 -4.96 116.66 113.28 1wxm n ARG 41 Ca 0.02 -1.45 -0.15 0.00 -0.77 0.00 0.00 57.85 55.50 1wxm n ARG 41 Cb 0.10 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 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 0.66 1.00 3.75 -0.13 0.00 0.56 -4.97 105.19 106.06 1wxm n GLY 42 Ca 0.08 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.68 2.66 0.25 0.99 1.43 -0.27 -4.91 118.68 115.16 1wxm s LEU 43 Ca 0.00 1.61 0.06 0.00 -1.03 0.00 0.00 54.13 54.77 1wxm s LEU 43 Cb 0.00 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1wxm s LEU 43 CO 0.00 -2.25 0.30 0.21 0.23 0.00 0.00 176.35 174.84 1wxm s ASN 44 N -3.49 5.92 -0.25 2.29 2.47 -1.26 -4.45 114.94 116.17 1wxm s ASN 44 Ca 0.62 -0.10 0.10 0.00 0.42 0.00 0.00 52.86 53.89 1wxm s ASN 44 Cb -0.17 -1.60 0.67 0.00 -1.45 0.00 0.00 41.25 38.71 1wxm s ASN 44 CO 0.56 -0.09 1.62 0.00 -3.72 0.00 0.00 177.10 175.48 1wxm n GLN 45 N -1.33 3.79 0.00 0.43 3.00 -1.26 -3.58 117.38 118.44 1wxm n GLN 45 Ca -0.08 -2.67 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 1wxm n GLN 45 Cb 0.58 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 28.69 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 0.18 1.43 -1.30 1.08 -0.08 -1.26 -4.72 116.55 111.89 1wxm n ASP 46 Ca 0.31 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.62 1wxm n ASP 46 Cb 1.17 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.86 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 -1.08 1.01 -0.12 0.00 0.11 0.13 -4.82 120.40 115.64 1wxm s VAL 49 Ca -0.09 -1.98 0.01 0.00 -2.93 0.00 0.00 61.98 56.99 1wxm s VAL 49 Cb -0.08 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.05 1wxm s VAL 49 CO -0.00 -0.76 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.19 1wxm s VAL 50 N -3.30 1.40 -0.12 2.04 1.01 -1.25 -0.01 120.40 120.17 1wxm s VAL 50 Ca 0.14 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1wxm s VAL 50 Cb 0.03 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1wxm s VAL 50 CO -0.01 0.43 0.12 -0.31 0.00 0.00 0.00 175.10 175.32 1wxm s TYR 51 N 1.30 3.53 -0.15 5.22 2.02 0.11 0.75 117.35 130.12 1wxm s TYR 51 Ca -0.01 0.47 -0.07 0.00 -0.37 0.00 0.00 57.07 57.10 1wxm s TYR 51 Cb -0.14 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1wxm s TYR 51 CO -0.06 0.68 0.08 1.03 -1.57 0.00 0.00 175.55 175.71 1wxm s ARG 52 N -0.97 3.73 -0.62 -0.62 0.52 0.14 0.04 118.95 121.16 1wxm s ARG 52 Ca 0.14 -0.29 -0.27 0.00 -0.52 0.00 0.00 55.73 54.79 1wxm s ARG 52 Cb -0.12 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.20 1wxm s ARG 52 CO 0.04 0.46 1.39 -0.51 0.02 0.00 0.00 175.30 176.69 1wxm s LEU 53 N -0.14 3.32 -0.42 2.53 2.01 -0.92 0.04 118.68 125.11 1wxm s LEU 53 Ca 0.08 0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.29 1wxm s LEU 53 Cb -0.12 -2.87 0.12 0.00 0.01 0.00 0.00 46.19 43.33 1wxm s LEU 53 CO 0.01 -1.79 0.19 -0.63 1.01 0.00 0.00 176.35 175.14 1wxm s ILE 54 N 6.12 1.71 -0.97 -0.59 1.09 -1.10 -4.70 121.20 122.76 1wxm s ILE 54 Ca 0.47 -2.47 0.00 0.00 -1.10 0.00 0.00 60.65 57.55 1wxm s ILE 54 Cb -0.10 -2.22 0.00 0.00 -1.06 0.00 0.00 42.46 39.09 1wxm s ILE 54 CO 0.22 -0.78 0.00 0.29 -0.10 0.00 0.00 174.94 174.56 1wxm n LYS 55 N 3.81 -0.73 -2.29 2.79 5.02 -1.26 -2.63 118.16 122.88 1wxm n LYS 55 Ca 0.05 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1wxm n LYS 55 Cb 0.37 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wxm n GLY 56 N -1.47 0.76 2.74 0.72 0.00 -1.26 -5.05 105.19 101.62 1wxm n GLY 56 Ca -0.11 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.58 0.60 -0.38 1.61 1.81 -1.08 -5.08 118.95 111.85 1wxm s ARG 57 Ca 0.00 -0.25 -0.29 0.00 -1.72 0.00 0.00 55.73 53.47 1wxm s ARG 57 Cb 0.00 -1.79 -0.08 0.00 -0.45 0.00 0.00 34.95 32.64 1wxm s ARG 57 CO 0.00 -0.55 2.32 1.63 -0.68 0.00 0.00 175.30 178.01 1wxm n LYS 58 N 5.09 1.37 -3.51 3.54 4.01 -1.26 -2.73 118.16 124.67 1wxm n LYS 58 Ca -0.08 0.27 -0.42 0.00 -0.51 0.00 0.00 58.31 57.57 1wxm n LYS 58 Cb 0.48 -3.08 -0.08 0.00 -0.51 0.00 0.00 35.03 31.84 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 9.60 4.38 0.68 -0.18 2.01 0.11 -4.73 115.64 127.51 1wxm s THR 59 Ca 1.03 -1.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 1wxm s THR 59 Cb -0.42 -3.87 -0.15 0.00 0.01 0.00 0.00 72.50 68.07 1wxm s THR 59 CO 0.35 -0.80 -0.38 0.52 -0.69 0.00 0.00 174.62 173.62 1wxm n VAL 60 N 4.92 0.00 -4.07 3.82 0.31 -1.26 0.25 118.33 122.30 1wxm n VAL 60 Ca -0.08 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 1wxm n VAL 60 Cb 0.41 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.22 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 -1.96 0.56 0.66 2.52 -1.32 0.23 -4.64 115.64 111.70 1wxm s THR 61 Ca 0.49 -1.17 -0.11 0.00 -1.21 0.00 0.00 61.69 59.69 1wxm s THR 61 Cb -0.37 -0.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.89 1wxm s THR 61 CO 0.71 -0.43 1.06 0.00 -2.21 0.00 0.00 174.62 173.75 1wxm s ALA 62 N -1.61 2.98 -0.09 11.08 0.00 -1.26 -4.42 121.76 128.44 1wxm s ALA 62 Ca -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1wxm s ALA 62 Cb -0.08 -3.06 -0.26 0.00 0.00 0.00 0.00 23.12 19.72 1wxm s ALA 62 CO -0.00 -0.92 0.49 -1.49 0.00 0.00 0.00 175.76 173.84 1wxm h TRP 63 N -0.49 0.39 -0.12 0.00 4.06 -1.96 -3.33 115.95 114.50 1wxm h TRP 63 Ca -0.44 -0.29 -0.10 0.00 2.06 0.00 0.00 58.89 60.12 1wxm h TRP 63 Cb 1.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.35 1wxm h TRP 63 CO 0.58 1.58 -0.39 -0.44 -3.56 0.00 0.00 178.44 176.21 1wxm h ASP 64 N 0.06 0.26 -1.63 -3.49 3.32 -1.98 -2.91 116.42 110.04 1wxm h ASP 64 Ca -0.37 -0.10 -0.43 0.00 0.02 0.00 0.00 57.03 56.14 1wxm h ASP 64 Cb 2.03 -0.07 0.23 0.00 0.22 0.00 0.00 39.33 41.74 1wxm h ASP 64 CO 0.10 0.62 -1.72 0.41 -1.72 0.00 0.00 179.24 176.93 1wxm n THR 65 N -4.05 0.00 -3.65 0.35 -1.04 -1.25 -4.70 114.28 99.94 1wxm n THR 65 Ca -0.01 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.05 61.66 1wxm n THR 65 Cb 0.46 -0.30 -0.01 0.00 -1.82 0.00 0.00 70.33 68.66 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 4.12 -1.57 2.41 0.00 -1.26 -2.50 121.76 120.85 1wxm s ALA 66 Ca 0.43 -1.40 0.18 0.00 0.00 0.00 0.00 51.96 51.17 1wxm s ALA 66 Cb -0.01 -1.66 0.52 0.00 0.00 0.00 0.00 23.12 21.97 1wxm s ALA 66 CO 0.61 0.06 1.44 1.51 0.00 0.00 0.00 175.76 179.37 1wxm n ILE 67 N -1.55 1.01 0.12 0.00 0.13 -1.10 -4.46 119.36 113.51 1wxm n ILE 67 Ca -0.03 -1.00 -0.12 0.00 -1.10 0.00 0.00 62.75 60.50 1wxm n ILE 67 Cb 0.58 0.49 -0.07 0.00 -0.84 0.00 0.00 39.64 39.80 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 3.45 -0.37 0.00 1.51 0.00 -1.78 -3.28 119.26 118.79 1wxm h ALA 68 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 1wxm h ALA 68 Cb 0.90 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wxm h ALA 68 CO 0.00 -0.46 1.42 -0.35 0.00 0.00 0.00 179.25 179.86 1wxm n PRO 69 N -5.06 2.12 -0.87 0.00 -0.04 -1.26 -3.35 135.00 126.53 1wxm n PRO 69 Ca -0.09 -1.24 0.01 0.00 -0.04 0.00 0.00 63.50 62.14 1wxm n PRO 69 Cb 0.26 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.25 0.25 -4.68 1.53 7.99 -1.24 -5.08 117.00 119.02 1wxm n LEU 70 Ca 0.45 -1.42 -0.42 0.00 -0.01 0.00 0.00 56.01 54.61 1wxm n LEU 70 Cb 0.44 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.73 1wxm n LEU 70 CO 0.45 0.53 1.10 -0.62 -1.51 0.00 0.00 177.39 177.34 1wxm s ASP 71 N -1.21 6.90 -0.38 -1.43 -1.08 -1.21 -3.92 116.67 114.33 1wxm s ASP 71 Ca 0.11 1.95 -0.08 0.00 -0.52 0.00 0.00 52.55 54.01 1wxm s ASP 71 Cb 0.13 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1wxm s ASP 71 CO -0.06 -0.73 0.45 0.61 0.52 0.00 0.00 175.17 175.97 1wxm n GLY 72 N 3.64 -1.09 0.00 2.66 0.00 -1.26 -5.06 105.19 104.08 1wxm n GLY 72 Ca 0.13 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.74 0.00 -3.58 1.61 -0.00 -1.25 -5.11 120.64 111.57 1wxm n GLU 73 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.11 1wxm n GLU 73 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 31.44 31.72 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 -1.32 0.27 -0.07 3.44 2.02 -1.26 -4.15 118.70 117.63 1wxm s GLU 74 Ca 0.00 0.78 -0.12 0.00 0.02 0.00 0.00 54.97 55.65 1wxm s GLU 74 Cb 0.00 -0.06 -0.05 0.00 0.10 0.00 0.00 34.13 34.12 1wxm s GLU 74 CO 0.00 -0.38 0.31 -0.51 0.02 0.00 0.00 175.26 174.70 1wxm s LEU 75 N 2.52 4.40 -0.26 1.80 1.43 -1.13 -2.16 118.68 125.29 1wxm s LEU 75 Ca 0.03 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1wxm s LEU 75 Cb -0.13 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1wxm s LEU 75 CO -0.12 0.30 -0.03 -0.63 0.23 0.00 0.00 176.35 176.10 1wxm s ILE 76 N -0.72 3.09 -0.19 -0.59 1.01 0.11 -1.47 121.20 122.42 1wxm s ILE 76 Ca 0.20 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.65 1wxm s ILE 76 Cb -0.15 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1wxm s ILE 76 CO 0.09 0.13 0.48 -0.69 0.00 0.00 0.00 174.94 174.95 1wxm s VAL 77 N 1.35 5.14 0.27 2.92 1.01 0.32 0.10 120.40 131.50 1wxm s VAL 77 Ca -0.00 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.88 1wxm s VAL 77 Cb -0.17 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1wxm s VAL 77 CO -0.03 0.21 0.08 -1.61 0.00 0.00 0.00 175.10 173.76 1wxm s GLU 78 N 1.45 1.45 -0.15 2.72 0.41 0.98 -2.09 118.70 123.48 1wxm s GLU 78 Ca 0.23 -1.79 -0.05 0.00 -0.41 0.00 0.00 54.97 52.95 1wxm s GLU 78 Cb -0.15 -0.40 -0.04 0.00 -1.78 0.00 0.00 34.13 31.76 1wxm s GLU 78 CO 0.09 -0.26 0.04 0.08 -0.49 0.00 0.00 175.26 174.72 1wxm s VAL 79 N -3.65 4.63 -0.19 2.63 1.01 -1.26 0.21 120.40 123.79 1wxm s VAL 79 Ca 0.37 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 1wxm s VAL 79 Cb 0.08 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 1wxm s VAL 79 CO 0.14 0.52 2.19 0.18 0.00 0.00 0.00 175.10 178.13 1wxm n LEU 80 N 2.99 3.35 -3.72 3.92 4.77 0.49 -4.89 117.00 123.91 1wxm n LEU 80 Ca -0.18 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 1wxm n LEU 80 Cb 0.53 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.98 1wxm n LEU 80 CO 0.33 -0.58 0.10 -0.55 -1.33 0.00 0.00 177.39 175.36 1wxm s SER 81 N 7.84 -0.35 0.00 -1.43 0.15 -1.26 -4.93 113.70 113.72 1wxm s SER 81 Ca 1.00 0.48 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1wxm s SER 81 Cb -0.36 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1wxm s SER 81 CO 0.36 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1wxm n GLY 82 N 1.91 -1.95 3.00 9.45 0.00 -1.26 -4.69 105.19 111.66 1wxm n GLY 82 Ca -0.18 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1wxm n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wxm n PRO 83 N -0.56 2.17 -2.77 1.61 -0.04 -1.26 -4.47 135.00 129.68 1wxm n PRO 83 Ca 0.00 -2.28 -0.01 0.00 -0.04 0.00 0.00 63.50 61.17 1wxm n PRO 83 Cb 0.00 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 1wxm n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wxm n SER 84 N 7.37 -7.92 -3.96 3.54 2.88 -1.26 -5.06 113.62 109.20 1wxm n SER 84 Ca 0.50 1.30 -0.10 0.00 -1.33 0.00 0.00 58.87 59.25 1wxm n SER 84 Cb 0.41 -5.03 -0.06 0.00 -0.75 0.00 0.00 64.21 58.78 1wxm n SER 84 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wxm s SER 85 N -1.64 -0.04 0.00 -3.46 0.15 -1.26 -5.24 113.70 102.22 1wxm s SER 85 Ca 0.02 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1wxm s SER 85 Cb -0.00 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1wxm s SER 85 CO 0.72 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.78