#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 -0.33 -0.06 1.61 1.04 -1.26 -5.05 113.70 109.64 1wxm s SER 2 Ca 0.00 -0.46 -0.26 0.00 0.48 0.00 0.00 55.95 55.71 1wxm s SER 2 Cb 0.00 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.78 1wxm s SER 2 CO 0.00 -1.24 0.82 -0.55 0.98 0.00 0.00 173.24 173.24 1wxm s SER 3 N -2.88 7.11 0.00 7.02 0.15 -1.26 -4.66 113.70 119.18 1wxm s SER 3 Ca 0.09 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1wxm s SER 3 Cb -0.05 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wxm s SER 3 CO 0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wxm n GLY 4 N 3.10 0.85 2.94 9.45 0.00 -1.26 -5.00 105.19 115.27 1wxm n GLY 4 Ca 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 1wxm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wxm n SER 5 N 0.00 -5.81 -4.55 1.61 7.64 -1.26 -4.77 113.62 106.48 1wxm n SER 5 Ca 0.00 0.98 -0.44 0.00 1.01 0.00 0.00 58.87 60.42 1wxm n SER 5 Cb 0.00 -3.03 -0.01 0.00 -1.01 0.00 0.00 64.21 60.16 1wxm n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wxm n SER 6 N 1.71 0.75 0.04 6.43 2.88 -1.26 -4.89 113.62 119.28 1wxm n SER 6 Ca -0.10 1.13 -0.08 0.00 -1.33 0.00 0.00 58.87 58.50 1wxm n SER 6 Cb 0.28 -1.23 -0.05 0.00 -0.75 0.00 0.00 64.21 62.46 1wxm n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wxm h GLY 7 N 1.69 -1.23 0.00 0.46 0.00 -1.86 -3.45 103.07 98.69 1wxm h GLY 7 Ca -0.39 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1wxm h GLY 7 CO 0.59 -0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.36 1wxm n GLY 8 N -1.22 -1.82 3.62 4.60 0.00 -1.26 -5.03 105.19 104.08 1wxm n GLY 8 Ca -0.04 0.78 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 2.61 -4.23 -1.26 -3.43 115.64 109.33 1wxm s THR 9 Ca 0.00 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1wxm s THR 9 Cb 0.00 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1wxm s THR 9 CO 0.00 0.00 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.37 1wxm s VAL 10 N -3.59 0.17 -0.06 2.29 1.01 0.15 -4.62 120.40 115.75 1wxm s VAL 10 Ca 0.22 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1wxm s VAL 10 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1wxm s VAL 10 CO 0.11 -0.05 0.64 -0.54 0.00 0.00 0.00 175.10 175.26 1wxm s LYS 11 N -0.32 4.40 -0.23 2.72 1.02 -1.26 -0.02 119.74 126.04 1wxm s LYS 11 Ca -0.02 0.77 -0.00 0.00 0.02 0.00 0.00 55.97 56.74 1wxm s LYS 11 Cb -0.03 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1wxm s LYS 11 CO -0.00 0.15 -0.11 0.08 -0.92 0.00 0.00 175.35 174.55 1wxm s VAL 12 N 0.56 2.59 -0.42 3.17 1.01 0.16 -3.10 120.40 124.36 1wxm s VAL 12 Ca 0.34 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 1wxm s VAL 12 Cb -0.17 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1wxm s VAL 12 CO 0.17 0.28 0.74 -0.31 0.00 0.00 0.00 175.10 175.98 1wxm s TYR 13 N 1.30 3.04 0.60 5.22 2.02 -0.75 0.17 117.35 128.95 1wxm s TYR 13 Ca 0.01 0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.83 1wxm s TYR 13 Cb -0.16 -3.50 -0.01 0.00 -0.40 0.00 0.00 41.96 37.89 1wxm s TYR 13 CO -0.07 -0.88 0.95 -0.51 -1.57 0.00 0.00 175.55 173.47 1wxm s LEU 14 N 3.10 3.23 0.00 -1.29 1.43 0.16 0.89 118.68 126.20 1wxm s LEU 14 Ca 0.28 1.01 0.23 0.00 -1.03 0.00 0.00 54.13 54.62 1wxm s LEU 14 Cb -0.13 -3.90 1.30 0.00 0.03 0.00 0.00 46.19 43.49 1wxm s LEU 14 CO 0.20 -1.00 1.77 -0.81 0.23 0.00 0.00 176.35 176.75 1wxm n PRO 15 N -2.66 0.55 -1.09 1.29 -0.04 -0.86 -3.20 135.00 128.99 1wxm n PRO 15 Ca 0.05 0.03 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 1wxm n PRO 15 Cb 0.56 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.14 6.64 -2.08 3.54 5.15 -1.26 -4.80 115.26 121.32 1wxm n ASN 16 Ca 0.15 -3.41 -0.05 0.00 -0.60 0.00 0.00 54.58 50.67 1wxm n ASN 16 Cb 0.13 -0.98 -0.01 0.00 -0.53 0.00 0.00 39.78 38.39 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 -0.36 -2.21 -4.57 1.20 5.02 -1.19 -4.86 118.16 111.18 1wxm n LYS 17 Ca 0.47 0.26 -0.26 0.00 -2.02 0.00 0.00 58.31 56.76 1wxm n LYS 17 Cb 0.72 -4.67 -0.11 0.00 -0.02 0.00 0.00 35.03 30.95 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 -4.24 1.87 0.01 1.97 -0.21 -1.24 -5.00 119.66 112.82 1wxm s GLN 18 Ca 0.00 -2.05 -0.04 0.00 0.02 0.00 0.00 55.36 53.30 1wxm s GLN 18 Cb 0.00 -1.45 -0.01 0.00 1.00 0.00 0.00 33.01 32.55 1wxm s GLN 18 CO 0.00 -0.07 0.05 -0.98 -2.12 0.00 0.00 175.29 172.17 1wxm s ARG 19 N -3.75 0.39 -0.03 2.91 3.03 -1.26 0.39 118.95 120.64 1wxm s ARG 19 Ca 0.35 -0.51 -0.01 0.00 2.03 0.00 0.00 55.73 57.59 1wxm s ARG 19 Cb 0.09 0.15 0.02 0.00 -1.03 0.00 0.00 34.95 34.19 1wxm s ARG 19 CO 0.17 -0.08 0.07 -0.08 -1.13 0.00 0.00 175.30 174.25 1wxm s THR 20 N -1.42 -0.03 -0.10 4.99 -1.32 0.13 -4.93 115.64 112.95 1wxm s THR 20 Ca -0.15 0.13 -0.20 0.00 -1.21 0.00 0.00 61.69 60.25 1wxm s THR 20 Cb -0.09 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 1wxm s THR 20 CO 0.00 0.05 0.55 -0.69 -2.21 0.00 0.00 174.62 172.32 1wxm s VAL 21 N 0.71 5.14 0.18 5.08 1.01 -1.26 0.39 120.40 131.64 1wxm s VAL 21 Ca -0.06 1.11 0.11 0.00 0.00 0.00 0.00 61.98 63.14 1wxm s VAL 21 Cb -0.08 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1wxm s VAL 21 CO -0.03 0.30 -0.23 -0.69 0.00 0.00 0.00 175.10 174.45 1wxm s VAL 22 N 0.71 2.23 0.36 2.92 1.01 0.97 -4.90 120.40 123.70 1wxm s VAL 22 Ca 0.30 -1.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.06 1wxm s VAL 22 Cb -0.16 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 1wxm s VAL 22 CO 0.13 -0.12 1.04 -0.89 0.00 0.00 0.00 175.10 175.26 1wxm s THR 23 N -1.63 3.75 -0.45 3.92 2.01 -1.26 0.29 115.64 122.28 1wxm s THR 23 Ca 0.18 1.45 -0.21 0.00 0.31 0.00 0.00 61.69 63.42 1wxm s THR 23 Cb -0.08 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.65 1wxm s THR 23 CO 0.09 0.12 0.69 -0.69 -0.69 0.00 0.00 174.62 174.13 1wxm s VAL 24 N -1.53 4.77 -0.11 3.82 1.01 -1.22 -4.83 120.40 122.31 1wxm s VAL 24 Ca 0.53 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.70 1wxm s VAL 24 Cb -0.24 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1wxm s VAL 24 CO 0.30 -0.65 -0.13 -0.13 0.00 0.00 0.00 175.10 174.50 1wxm s ARG 25 N 2.96 3.13 -0.76 2.72 0.52 -1.26 -4.97 118.95 121.28 1wxm s ARG 25 Ca 0.24 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1wxm s ARG 25 Cb -0.14 -2.58 0.29 0.00 0.52 0.00 0.00 34.95 33.05 1wxm s ARG 25 CO 0.20 0.35 2.18 -0.25 0.02 0.00 0.00 175.30 177.80 1wxm n ASP 26 N 3.12 7.33 -2.19 0.23 8.00 -1.26 -4.16 116.55 127.62 1wxm n ASP 26 Ca -0.18 -3.71 -0.02 0.00 0.71 0.00 0.00 54.79 51.59 1wxm n ASP 26 Cb 0.53 -1.10 0.08 0.00 -0.02 0.00 0.00 41.12 40.60 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wxm n GLY 27 N -0.26 1.15 3.58 0.44 0.00 -1.26 -5.01 105.19 103.83 1wxm n GLY 27 Ca 0.53 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 1wxm n GLY 27 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wxm s MET 28 N 0.09 0.63 0.22 1.61 0.23 -1.26 -5.12 119.30 115.70 1wxm s MET 28 Ca 0.06 0.21 -0.04 0.00 -1.03 0.00 0.00 55.69 54.89 1wxm s MET 28 Cb 0.29 0.30 0.05 0.00 -1.53 0.00 0.00 34.83 33.95 1wxm s MET 28 CO -0.09 -0.19 0.23 0.43 -2.03 0.00 0.00 175.02 173.38 1wxm n SER 29 N 0.90 -0.77 0.02 -1.18 7.64 -1.26 -2.30 113.62 116.67 1wxm n SER 29 Ca -0.11 -0.80 -0.14 0.00 1.01 0.00 0.00 58.87 58.83 1wxm n SER 29 Cb 0.58 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.53 0.97 0.68 0.44 2.07 -1.01 -3.25 116.25 114.62 1wxm h VAL 30 Ca -0.08 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 64.70 1wxm h VAL 30 Cb 0.24 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1wxm h VAL 30 CO 0.06 0.72 -0.49 0.22 0.02 0.00 0.00 177.57 178.09 1wxm h TYR 31 N 0.04 -1.33 -0.09 1.57 3.20 -1.76 1.44 116.97 120.04 1wxm h TYR 31 Ca -0.28 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.61 1wxm h TYR 31 Cb 2.00 0.49 -0.00 0.00 1.54 0.00 0.00 36.73 40.75 1wxm h TYR 31 CO 0.04 -0.71 0.10 -0.44 -1.64 0.00 0.00 178.16 175.51 1wxm h ASP 32 N -1.12 0.00 0.10 -2.11 3.32 -1.86 1.57 116.42 116.31 1wxm h ASP 32 Ca -0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1wxm h ASP 32 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1wxm h ASP 32 CO 0.04 0.00 -0.05 0.28 -1.72 0.00 0.00 179.24 177.80 1wxm h SER 33 N 0.00 -0.11 0.40 6.45 0.02 -1.27 -3.28 113.55 115.76 1wxm h SER 33 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wxm h SER 33 Cb 0.25 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1wxm h SER 33 CO -0.00 0.25 0.00 0.18 -1.14 0.00 0.00 176.83 176.12 1wxm n LEU 34 N -4.19 0.11 -0.02 5.07 7.99 0.48 -3.13 117.00 123.30 1wxm n LEU 34 Ca -0.02 0.53 -0.14 0.00 -0.01 0.00 0.00 56.01 56.37 1wxm n LEU 34 Cb 0.05 -0.52 -0.09 0.00 -0.11 0.00 0.00 43.42 42.75 1wxm n LEU 34 CO 0.04 -0.37 0.52 -0.78 -1.51 0.00 0.00 177.39 175.29 1wxm h ASP 35 N 0.00 -1.66 0.40 -1.43 1.82 0.22 0.30 116.42 116.06 1wxm h ASP 35 Ca 0.00 0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 56.82 1wxm h ASP 35 Cb 0.20 0.66 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1wxm h ASP 35 CO 0.00 -0.47 -0.19 0.50 -1.61 0.00 0.00 179.24 177.47 1wxm h LYS 36 N -0.55 -0.52 -1.36 0.28 3.64 -1.71 1.59 116.57 117.94 1wxm h LYS 36 Ca 0.05 0.04 0.47 0.00 -1.27 0.00 0.00 60.65 59.94 1wxm h LYS 36 Cb 0.67 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 32.46 1wxm h LYS 36 CO -0.45 -0.26 0.87 0.00 -2.27 0.00 0.00 179.45 177.34 1wxm n ALA 37 N -2.42 1.35 -0.08 5.00 0.00 -0.94 0.14 120.51 123.56 1wxm n ALA 37 Ca -0.11 0.87 -0.09 0.00 0.00 0.00 0.00 53.44 54.11 1wxm n ALA 37 Cb 0.27 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 -4.71 1.82 -0.35 0.00 4.77 1.00 -4.28 117.00 115.24 1wxm n LEU 38 Ca 0.40 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 57.01 1wxm n LEU 38 Cb 1.55 -0.89 0.12 0.00 -2.33 0.00 0.00 43.42 41.86 1wxm n LEU 38 CO 0.18 -0.29 0.65 0.11 -1.33 0.00 0.00 177.39 176.71 1wxm h LYS 39 N -1.00 -0.00 -0.97 3.23 6.56 0.44 1.88 116.57 126.71 1wxm h LYS 39 Ca -0.09 0.00 0.35 0.00 -1.06 0.00 0.00 60.65 59.85 1wxm h LYS 39 Cb 0.70 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.19 1wxm h LYS 39 CO -0.05 -0.00 0.32 1.55 -2.06 0.00 0.00 179.45 179.21 1wxm n VAL 40 N -5.59 -0.41 -0.06 0.50 3.14 0.37 0.78 118.33 117.07 1wxm n VAL 40 Ca 0.14 2.03 -0.11 0.00 -2.96 0.00 0.00 64.34 63.44 1wxm n VAL 40 Cb 0.47 -3.16 -0.15 0.00 -1.06 0.00 0.00 33.84 29.94 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 -5.29 0.67 0.00 1.45 1.74 0.50 -4.98 116.66 110.75 1wxm n ARG 41 Ca 0.31 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1wxm n ARG 41 Cb 1.05 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 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 1.71 1.17 3.77 -0.13 0.00 0.52 -5.09 105.19 107.13 1wxm n GLY 42 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 4.43 0.25 0.99 1.43 -0.74 -4.83 118.68 120.22 1wxm s LEU 43 Ca 0.00 2.66 0.05 0.00 -1.03 0.00 0.00 54.13 55.81 1wxm s LEU 43 Cb 0.00 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1wxm s LEU 43 CO 0.00 -0.51 0.37 0.21 0.23 0.00 0.00 176.35 176.65 1wxm s ASN 44 N -0.52 6.29 -0.49 2.29 3.04 -1.26 -3.73 114.94 120.57 1wxm s ASN 44 Ca 0.49 0.05 -0.01 0.00 0.04 0.00 0.00 52.86 53.42 1wxm s ASN 44 Cb -0.39 -1.81 0.34 0.00 -1.54 0.00 0.00 41.25 37.84 1wxm s ASN 44 CO 0.52 -0.09 2.02 0.00 -3.04 0.00 0.00 177.10 176.50 1wxm n GLN 45 N -1.42 2.23 0.00 0.43 3.00 -1.26 -3.78 117.38 116.58 1wxm n GLN 45 Ca -0.08 -2.41 0.00 0.00 -0.01 0.00 0.00 57.00 54.49 1wxm n GLN 45 Cb 0.57 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.86 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 -0.30 1.49 -1.86 1.08 8.00 -1.26 -4.76 116.55 118.94 1wxm n ASP 46 Ca 0.46 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.75 1wxm n ASP 46 Cb 0.65 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.86 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 -0.61 1.19 -0.12 0.00 0.11 0.14 -4.80 120.40 116.31 1wxm s VAL 49 Ca -0.07 -1.34 0.02 0.00 -2.93 0.00 0.00 61.98 57.66 1wxm s VAL 49 Cb -0.04 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.66 1wxm s VAL 49 CO -0.00 -0.20 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.69 1wxm s VAL 50 N -1.27 2.51 -0.07 2.04 1.01 -1.26 -0.00 120.40 123.37 1wxm s VAL 50 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1wxm s VAL 50 Cb -0.10 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1wxm s VAL 50 CO 0.03 0.54 -0.02 -0.31 0.00 0.00 0.00 175.10 175.34 1wxm s TYR 51 N 0.42 3.09 0.01 5.22 2.02 0.12 0.39 117.35 128.62 1wxm s TYR 51 Ca -0.14 0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1wxm s TYR 51 Cb -0.17 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1wxm s TYR 51 CO 0.06 0.43 0.20 1.03 -1.57 0.00 0.00 175.55 175.71 1wxm s ARG 52 N -0.98 3.46 -0.60 -0.62 0.52 0.13 0.12 118.95 120.98 1wxm s ARG 52 Ca 0.14 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 54.82 1wxm s ARG 52 Cb -0.11 -3.08 0.06 0.00 0.52 0.00 0.00 34.95 32.34 1wxm s ARG 52 CO 0.03 0.65 0.88 -0.51 0.02 0.00 0.00 175.30 176.38 1wxm s LEU 53 N -2.04 4.49 -0.42 2.53 2.01 -1.01 -0.03 118.68 124.20 1wxm s LEU 53 Ca 0.29 -0.84 0.03 0.00 0.01 0.00 0.00 54.13 53.62 1wxm s LEU 53 Cb -0.13 -2.53 0.12 0.00 0.01 0.00 0.00 46.19 43.67 1wxm s LEU 53 CO 0.20 -1.27 0.19 -0.63 1.01 0.00 0.00 176.35 175.85 1wxm s ILE 54 N 3.69 1.84 -1.25 -0.59 1.09 -1.10 -4.76 121.20 120.12 1wxm s ILE 54 Ca 0.22 -2.57 -0.07 0.00 -1.10 0.00 0.00 60.65 57.14 1wxm s ILE 54 Cb -0.17 -2.31 0.01 0.00 -1.06 0.00 0.00 42.46 38.93 1wxm s ILE 54 CO 0.13 -0.78 1.08 0.29 -0.10 0.00 0.00 174.94 175.56 1wxm n LYS 55 N 3.75 -7.27 -3.03 2.79 5.02 -1.26 -2.73 118.16 115.42 1wxm n LYS 55 Ca 0.05 0.79 -0.13 0.00 -2.02 0.00 0.00 58.31 57.00 1wxm n LYS 55 Cb 0.36 -5.70 0.07 0.00 -0.02 0.00 0.00 35.03 29.74 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 -1.75 -0.27 2.87 0.72 0.00 -1.26 -5.03 105.19 100.47 1wxm n GLY 56 Ca -0.06 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.84 0.29 -0.42 1.61 1.81 -1.11 -5.09 118.95 111.21 1wxm s ARG 57 Ca 0.07 0.44 -0.27 0.00 -1.72 0.00 0.00 55.73 54.25 1wxm s ARG 57 Cb -0.01 -0.70 -0.06 0.00 -0.45 0.00 0.00 34.95 33.74 1wxm s ARG 57 CO 0.56 -0.64 2.28 0.15 -0.68 0.00 0.00 175.30 176.97 1wxm s LYS 58 N 2.48 2.48 -0.48 3.54 3.01 -1.24 -2.69 119.74 126.83 1wxm s LYS 58 Ca 0.10 1.51 -0.12 0.00 -1.01 0.00 0.00 55.97 56.45 1wxm s LYS 58 Cb -0.15 -4.49 0.11 0.00 -1.01 0.00 0.00 37.83 32.28 1wxm s LYS 58 CO -0.14 -2.85 0.38 0.99 0.51 0.00 0.00 175.35 174.24 1wxm s THR 59 N 10.63 4.67 0.84 2.17 2.01 0.96 -4.73 115.64 132.19 1wxm s THR 59 Ca 0.95 -1.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 1wxm s THR 59 Cb -0.21 -3.96 -0.15 0.00 0.01 0.00 0.00 72.50 68.19 1wxm s THR 59 CO 0.28 -0.72 -0.60 0.52 -0.69 0.00 0.00 174.62 173.41 1wxm n VAL 60 N 5.06 0.00 -4.09 3.82 0.31 -1.26 0.19 118.33 122.36 1wxm n VAL 60 Ca -0.11 -0.49 -0.08 0.00 -0.01 0.00 0.00 64.34 63.66 1wxm n VAL 60 Cb 0.41 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.24 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 -1.94 0.29 0.52 2.52 -1.32 0.16 -4.61 115.64 111.26 1wxm s THR 61 Ca 0.43 -1.73 -0.05 0.00 -1.21 0.00 0.00 61.69 59.13 1wxm s THR 61 Cb -0.26 -1.41 -0.02 0.00 -1.51 0.00 0.00 72.50 69.30 1wxm s THR 61 CO 0.76 -0.92 0.82 0.00 -2.21 0.00 0.00 174.62 173.06 1wxm s ALA 62 N -3.60 3.40 -0.14 11.08 0.00 -1.26 -4.48 121.76 126.76 1wxm s ALA 62 Ca 0.05 -0.63 0.17 0.00 0.00 0.00 0.00 51.96 51.55 1wxm s ALA 62 Cb 0.06 -2.55 -0.10 0.00 0.00 0.00 0.00 23.12 20.53 1wxm s ALA 62 CO -0.08 -0.52 0.92 -1.49 0.00 0.00 0.00 175.76 174.59 1wxm h TRP 63 N 0.10 0.00 -0.67 0.00 4.06 -1.97 -3.30 115.95 114.16 1wxm h TRP 63 Ca -0.46 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.09 1wxm h TRP 63 Cb 1.23 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 29.19 1wxm h TRP 63 CO 0.53 0.50 0.50 -3.47 -3.56 0.00 0.00 178.44 172.94 1wxm n ASP 64 N -2.90 4.93 -4.86 -3.49 2.03 -1.26 -2.65 116.55 108.35 1wxm n ASP 64 Ca -0.07 -3.19 -0.22 0.00 0.52 0.00 0.00 54.79 51.84 1wxm n ASP 64 Cb 0.79 -0.85 -0.04 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.64 4.59 0.37 5.18 2.01 -1.24 -4.97 115.64 118.93 1wxm s THR 65 Ca 0.41 -1.30 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 1wxm s THR 65 Cb 0.33 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 1wxm s THR 65 CO 0.04 -0.34 0.76 0.00 -0.69 0.00 0.00 174.62 174.40 1wxm s ALA 66 N -2.11 3.32 -0.26 7.40 0.00 -1.26 -0.68 121.76 128.18 1wxm s ALA 66 Ca 0.34 -0.06 0.14 0.00 0.00 0.00 0.00 51.96 52.38 1wxm s ALA 66 Cb -0.08 -2.76 0.80 0.00 0.00 0.00 0.00 23.12 21.08 1wxm s ALA 66 CO 0.26 0.15 1.73 1.51 0.00 0.00 0.00 175.76 179.41 1wxm n ILE 67 N -0.85 2.72 -0.03 0.00 0.13 -0.97 -4.41 119.36 115.95 1wxm n ILE 67 Ca 0.03 -1.45 -0.05 0.00 -1.10 0.00 0.00 62.75 60.19 1wxm n ILE 67 Cb 0.54 -0.27 -0.04 0.00 -0.84 0.00 0.00 39.64 39.03 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 3.83 -0.05 0.00 1.51 0.00 -1.82 -3.36 119.26 119.37 1wxm h ALA 68 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.46 1wxm h ALA 68 Cb 1.94 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1wxm h ALA 68 CO 0.47 -0.05 1.32 -0.35 0.00 0.00 0.00 179.25 180.63 1wxm n PRO 69 N -4.77 2.07 0.00 0.00 -0.04 -1.26 -3.04 135.00 127.96 1wxm n PRO 69 Ca -0.03 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1wxm n PRO 69 Cb 0.15 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.21 0.37 -2.56 1.53 7.99 -1.26 -5.05 117.00 121.24 1wxm n LEU 70 Ca 0.44 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 56.13 1wxm n LEU 70 Cb 0.46 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.69 1wxm n LEU 70 CO 0.43 -0.07 1.13 -0.67 -1.51 0.00 0.00 177.39 176.69 1wxm n ASP 71 N -1.98 0.34 -0.24 -1.43 2.03 -1.17 -1.96 116.55 112.14 1wxm n ASP 71 Ca 0.00 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1wxm n ASP 71 Cb 0.09 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 4.19 0.82 0.00 0.27 0.00 -1.26 -5.12 105.19 104.10 1wxm n GLY 72 Ca 0.35 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.24 0.00 -3.67 1.61 -0.00 -0.83 -5.15 120.64 112.37 1wxm n GLU 73 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.08 1wxm n GLU 73 Cb 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.44 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 -0.67 0.44 0.08 3.44 2.02 -1.26 -4.23 118.70 118.52 1wxm s GLU 74 Ca 0.00 1.05 0.03 0.00 0.02 0.00 0.00 54.97 56.07 1wxm s GLU 74 Cb 0.00 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1wxm s GLU 74 CO 0.00 -0.20 0.10 -0.51 0.02 0.00 0.00 175.26 174.67 1wxm s LEU 75 N 2.15 3.88 -0.22 1.80 1.43 -1.18 -2.40 118.68 124.13 1wxm s LEU 75 Ca -0.06 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1wxm s LEU 75 Cb -0.10 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.60 1wxm s LEU 75 CO -0.15 0.17 -0.14 -0.63 0.23 0.00 0.00 176.35 175.84 1wxm s ILE 76 N -1.40 2.35 -0.17 -0.59 1.01 0.12 -1.81 121.20 120.70 1wxm s ILE 76 Ca 0.30 -1.11 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 1wxm s ILE 76 Cb -0.12 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1wxm s ILE 76 CO 0.23 0.31 0.40 -0.69 0.00 0.00 0.00 174.94 175.19 1wxm s VAL 77 N 1.26 5.22 0.23 2.92 1.01 0.26 0.13 120.40 131.42 1wxm s VAL 77 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1wxm s VAL 77 Cb -0.16 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1wxm s VAL 77 CO -0.08 0.30 0.10 -1.61 0.00 0.00 0.00 175.10 173.81 1wxm s GLU 78 N 0.92 1.29 -0.15 2.72 0.41 1.00 -2.02 118.70 122.87 1wxm s GLU 78 Ca 0.21 -1.69 -0.07 0.00 -0.41 0.00 0.00 54.97 53.01 1wxm s GLU 78 Cb -0.14 -0.05 -0.04 0.00 -1.78 0.00 0.00 34.13 32.12 1wxm s GLU 78 CO 0.08 -0.32 0.09 0.08 -0.49 0.00 0.00 175.26 174.70 1wxm s VAL 79 N -3.91 5.10 0.77 2.63 1.01 -1.26 0.28 120.40 125.02 1wxm s VAL 79 Ca 0.37 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1wxm s VAL 79 Cb 0.07 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.25 1wxm s VAL 79 CO 0.12 0.53 1.12 -0.76 0.00 0.00 0.00 175.10 176.11 1wxm s LEU 80 N -0.29 3.12 -0.38 3.92 1.43 0.27 -4.36 118.68 122.38 1wxm s LEU 80 Ca 0.10 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1wxm s LEU 80 Cb -0.12 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.57 1wxm s LEU 80 CO 0.01 -2.17 0.39 -1.20 0.23 0.00 0.00 176.35 173.61 1wxm n SER 81 N -3.30 -7.86 -0.77 2.29 7.64 -1.26 -4.90 113.62 105.46 1wxm n SER 81 Ca 0.10 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1wxm n SER 81 Cb 0.52 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.59 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 0.08 4.60 3.60 0.23 0.00 -1.26 -5.06 105.19 107.38 1wxm n GLY 82 Ca 0.07 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 0.35 3.58 -0.01 1.61 0.04 -1.26 -4.97 135.00 134.33 1wxm s PRO 83 Ca 0.00 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 1wxm s PRO 83 Cb 0.00 -4.02 0.01 0.00 0.04 0.00 0.00 34.50 30.53 1wxm s PRO 83 CO 0.00 -1.56 0.21 0.45 0.04 0.00 0.00 177.00 176.14 1wxm s SER 84 N 3.91 -0.08 0.14 6.66 0.15 -1.26 -5.13 113.70 118.10 1wxm s SER 84 Ca 0.61 -0.04 -0.31 0.00 0.70 0.00 0.00 55.95 56.91 1wxm s SER 84 Cb -0.14 0.27 -0.09 0.00 -1.71 0.00 0.00 66.02 64.35 1wxm s SER 84 CO 0.32 -0.37 1.55 -0.44 1.20 0.00 0.00 173.24 175.50 1wxm s SER 85 N -1.23 6.62 0.00 5.45 0.01 -1.26 -5.26 113.70 118.03 1wxm s SER 85 Ca -0.13 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.68 1wxm s SER 85 Cb -0.06 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1wxm s SER 85 CO 0.02 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.48