#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxm h SER 2 N 0.00 -0.84 -2.14 1.61 0.02 -2.12 -3.42 113.55 106.65 1wxm h SER 2 Ca 0.00 0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 60.35 1wxm h SER 2 Cb 0.00 0.22 0.06 0.00 0.14 0.00 0.00 62.40 62.82 1wxm h SER 2 CO 0.00 -0.53 0.68 -0.24 -1.14 0.00 0.00 176.83 175.60 1wxm n SER 3 N -5.47 2.63 0.00 3.07 2.88 -1.26 -4.86 113.62 110.61 1wxm n SER 3 Ca -0.14 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1wxm n SER 3 Cb 0.41 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1wxm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxm n GLY 4 N 3.03 3.39 1.56 0.46 0.00 -1.26 -5.16 105.19 107.21 1wxm n GLY 4 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -8.34 -4.56 1.61 2.88 -1.26 -4.66 113.62 99.29 1wxm n SER 5 Ca 0.00 1.18 -0.40 0.00 -1.33 0.00 0.00 58.87 58.32 1wxm n SER 5 Cb 0.00 -4.42 -0.03 0.00 -0.75 0.00 0.00 64.21 59.01 1wxm n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wxm s SER 6 N -2.77 5.50 -0.12 -3.46 1.04 -1.26 -4.88 113.70 107.76 1wxm s SER 6 Ca 0.00 0.45 -0.31 0.00 0.48 0.00 0.00 55.95 56.57 1wxm s SER 6 Cb 0.00 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.71 1wxm s SER 6 CO 0.00 -2.17 1.05 -0.83 0.98 0.00 0.00 173.24 172.27 1wxm s GLY 7 N 7.19 -0.34 -0.01 7.32 0.00 -1.26 -5.05 107.32 115.17 1wxm s GLY 7 Ca 0.66 1.51 -0.00 0.00 0.00 0.00 0.00 44.72 46.89 1wxm s GLY 7 CO 0.23 0.57 0.01 0.61 0.00 0.00 0.00 173.10 174.52 1wxm n GLY 8 N 0.02 0.46 3.63 0.20 0.00 -1.26 -5.03 105.19 103.21 1wxm n GLY 8 Ca -0.05 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.00 0.00 -0.01 2.61 -4.23 -1.26 -3.32 115.64 106.43 1wxm s THR 9 Ca 0.00 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1wxm s THR 9 Cb -0.00 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.73 1wxm s THR 9 CO 0.01 -0.02 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.34 1wxm s VAL 10 N -3.99 0.32 -0.13 2.29 1.01 0.14 -4.86 120.40 115.18 1wxm s VAL 10 Ca 0.19 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1wxm s VAL 10 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1wxm s VAL 10 CO 0.08 0.10 0.78 -0.54 0.00 0.00 0.00 175.10 175.51 1wxm s LYS 11 N -0.01 4.35 -0.31 2.72 1.02 -1.26 0.01 119.74 126.26 1wxm s LYS 11 Ca 0.01 0.96 -0.04 0.00 0.02 0.00 0.00 55.97 56.92 1wxm s LYS 11 Cb -0.03 -3.53 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1wxm s LYS 11 CO -0.00 -0.18 0.04 0.08 -0.92 0.00 0.00 175.35 174.36 1wxm s VAL 12 N 1.64 3.33 -0.28 3.17 1.01 0.13 -2.80 120.40 126.60 1wxm s VAL 12 Ca 0.38 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1wxm s VAL 12 Cb -0.17 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1wxm s VAL 12 CO 0.15 -0.09 1.15 -0.31 0.00 0.00 0.00 175.10 176.00 1wxm s TYR 13 N 1.33 3.03 0.45 5.22 2.02 -0.24 0.27 117.35 129.43 1wxm s TYR 13 Ca -0.03 1.14 -0.04 0.00 -0.37 0.00 0.00 57.07 57.77 1wxm s TYR 13 Cb -0.19 -3.65 -0.03 0.00 -0.40 0.00 0.00 41.96 37.69 1wxm s TYR 13 CO 0.00 -1.07 0.73 -0.51 -1.57 0.00 0.00 175.55 173.13 1wxm s LEU 14 N 3.73 3.71 -1.10 -1.29 1.43 0.15 0.55 118.68 125.85 1wxm s LEU 14 Ca 0.49 0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 54.18 1wxm s LEU 14 Cb -0.15 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.31 1wxm s LEU 14 CO 0.16 -0.53 2.06 -0.81 0.23 0.00 0.00 176.35 177.45 1wxm n PRO 15 N -2.15 2.15 0.00 1.29 -0.04 -0.88 -3.59 135.00 131.78 1wxm n PRO 15 Ca -0.01 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1wxm n PRO 15 Cb 0.56 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 7.00 0.00 -2.56 3.54 5.15 -1.26 -4.93 115.26 122.20 1wxm n ASN 16 Ca 0.51 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.44 1wxm n ASN 16 Cb 0.40 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.64 1wxm n ASN 16 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1wxm n LYS 17 N 0.00 -2.64 -4.44 1.20 2.85 -1.24 -4.84 118.16 109.05 1wxm n LYS 17 Ca 0.00 0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 57.02 1wxm n LYS 17 Cb 0.00 -4.21 -0.09 0.00 -0.65 0.00 0.00 35.03 30.08 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 -4.88 1.92 -0.01 -1.58 -0.21 -1.24 -5.01 119.66 108.66 1wxm s GLN 18 Ca 0.08 -1.81 -0.14 0.00 0.02 0.00 0.00 55.36 53.52 1wxm s GLN 18 Cb -0.05 -1.83 0.02 0.00 1.00 0.00 0.00 33.01 32.15 1wxm s GLN 18 CO 0.10 0.18 0.29 -0.98 -2.12 0.00 0.00 175.29 172.76 1wxm s ARG 19 N -3.64 0.65 -0.03 2.91 1.70 -1.26 0.34 118.95 119.63 1wxm s ARG 19 Ca 0.33 -0.24 -0.00 0.00 -0.47 0.00 0.00 55.73 55.34 1wxm s ARG 19 Cb -0.00 0.29 0.03 0.00 -0.57 0.00 0.00 34.95 34.69 1wxm s ARG 19 CO 0.18 -0.18 0.03 -0.08 -1.08 0.00 0.00 175.30 174.16 1wxm s THR 20 N -1.42 0.04 -0.15 4.99 -1.32 0.14 -4.91 115.64 113.02 1wxm s THR 20 Ca -0.13 0.22 -0.26 0.00 -1.21 0.00 0.00 61.69 60.31 1wxm s THR 20 Cb -0.05 -0.19 -0.02 0.00 -1.51 0.00 0.00 72.50 70.73 1wxm s THR 20 CO 0.03 0.14 0.84 -0.69 -2.21 0.00 0.00 174.62 172.74 1wxm s VAL 21 N 1.39 4.88 0.15 5.08 1.01 -1.26 0.21 120.40 131.86 1wxm s VAL 21 Ca -0.05 1.67 0.10 0.00 0.00 0.00 0.00 61.98 63.70 1wxm s VAL 21 Cb -0.13 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1wxm s VAL 21 CO -0.03 0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 174.23 1wxm s VAL 22 N 1.99 2.68 0.54 2.92 1.01 0.10 -4.88 120.40 124.76 1wxm s VAL 22 Ca 0.40 -1.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.49 1wxm s VAL 22 Cb -0.17 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 1wxm s VAL 22 CO 0.14 0.01 1.07 -0.89 0.00 0.00 0.00 175.10 175.43 1wxm s THR 23 N -1.35 3.58 -0.42 3.92 2.01 -1.26 0.25 115.64 122.37 1wxm s THR 23 Ca 0.19 0.90 -0.16 0.00 0.31 0.00 0.00 61.69 62.94 1wxm s THR 23 Cb -0.10 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.08 1wxm s THR 23 CO 0.10 -0.29 0.36 -0.69 -0.69 0.00 0.00 174.62 173.42 1wxm s VAL 24 N -2.06 5.18 0.00 3.82 1.01 -1.21 -4.80 120.40 122.35 1wxm s VAL 24 Ca 0.68 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1wxm s VAL 24 Cb -0.19 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1wxm s VAL 24 CO 0.27 -0.37 0.00 0.54 0.00 0.00 0.00 175.10 175.54 1wxm n ARG 25 N 5.35 3.61 0.00 2.72 1.74 -1.26 -4.98 116.66 123.84 1wxm n ARG 25 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1wxm n ARG 25 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1wxm n ARG 25 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wxm n ASP 26 N 0.00 0.00 -3.02 0.55 -0.08 -1.26 -3.92 116.55 108.82 1wxm n ASP 26 Ca 0.00 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.02 1wxm n ASP 26 Cb 0.00 0.14 -0.04 0.00 2.34 0.00 0.00 41.12 43.55 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 0.49 3.42 3.62 0.27 0.00 -1.26 -4.63 105.19 107.10 1wxm n GLY 27 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 2.58 0.17 0.40 1.61 0.23 -1.26 -5.13 119.30 117.90 1wxm s MET 28 Ca 0.53 -0.05 0.07 0.00 -1.03 0.00 0.00 55.69 55.21 1wxm s MET 28 Cb 0.16 0.08 0.07 0.00 -1.53 0.00 0.00 34.83 33.60 1wxm s MET 28 CO -0.04 -0.07 0.56 -1.13 -2.03 0.00 0.00 175.02 172.31 1wxm n SER 29 N 0.06 1.46 0.07 -1.18 3.41 -1.26 -2.48 113.62 113.71 1wxm n SER 29 Ca 0.02 -2.07 -0.08 0.00 -0.26 0.00 0.00 58.87 56.48 1wxm n SER 29 Cb 0.57 -0.30 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1wxm n SER 29 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1wxm h VAL 30 N 0.07 1.42 0.91 -3.33 2.07 0.51 -2.40 116.25 115.50 1wxm h VAL 30 Ca -0.19 -2.29 -0.04 0.00 0.82 0.00 0.00 66.70 65.00 1wxm h VAL 30 Cb 0.87 2.23 0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1wxm h VAL 30 CO 0.27 0.68 -0.46 0.22 0.02 0.00 0.00 177.57 178.30 1wxm h TYR 31 N 0.18 -1.19 0.00 1.57 3.20 -1.71 1.53 116.97 120.55 1wxm h TYR 31 Ca -0.03 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1wxm h TYR 31 Cb 1.34 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 40.01 1wxm h TYR 31 CO 0.03 -0.73 -0.03 -0.44 -1.64 0.00 0.00 178.16 175.36 1wxm h ASP 32 N -1.25 0.00 0.04 -2.11 3.32 -1.84 1.55 116.42 116.13 1wxm h ASP 32 Ca -0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1wxm h ASP 32 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1wxm h ASP 32 CO 0.19 0.03 -0.02 0.28 -1.72 0.00 0.00 179.24 178.00 1wxm h SER 33 N 0.00 -0.05 0.60 6.45 0.02 -0.83 -3.31 113.55 116.43 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 0.12 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1wxm h SER 33 CO 0.00 0.31 0.00 0.18 -1.14 0.00 0.00 176.83 176.18 1wxm n LEU 34 N -4.05 0.64 -0.32 5.07 7.99 0.52 -3.25 117.00 123.59 1wxm n LEU 34 Ca -0.01 0.68 -0.08 0.00 -0.01 0.00 0.00 56.01 56.59 1wxm n LEU 34 Cb 0.02 -0.62 -0.04 0.00 -0.11 0.00 0.00 43.42 42.68 1wxm n LEU 34 CO 0.02 -0.62 0.54 -0.78 -1.51 0.00 0.00 177.39 175.04 1wxm h ASP 35 N 0.00 -1.74 0.73 -1.43 3.58 0.21 0.53 116.42 118.30 1wxm h ASP 35 Ca 0.00 0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 1wxm h ASP 35 Cb 0.30 0.80 0.01 0.00 1.72 0.00 0.00 39.33 42.16 1wxm h ASP 35 CO 0.00 -0.29 -0.35 0.50 -2.88 0.00 0.00 179.24 176.22 1wxm h LYS 36 N -0.10 -0.95 -1.92 0.28 3.64 -1.74 0.71 116.57 116.49 1wxm h LYS 36 Ca 0.21 0.06 0.56 0.00 -1.27 0.00 0.00 60.65 60.22 1wxm h LYS 36 Cb 0.52 0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 1wxm h LYS 36 CO -0.85 -0.61 1.38 0.00 -2.27 0.00 0.00 179.45 177.10 1wxm n ALA 37 N -2.61 1.85 -0.04 5.00 0.00 -0.44 0.79 120.51 125.05 1wxm n ALA 37 Ca -0.13 0.65 -0.03 0.00 0.00 0.00 0.00 53.44 53.93 1wxm n ALA 37 Cb 0.40 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 0.64 -3.37 115.31 114.99 1wxm h LEU 38 Ca 0.92 0.00 0.17 0.00 0.09 0.00 0.00 57.88 59.06 1wxm h LEU 38 Cb 3.68 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 44.26 1wxm h LEU 38 CO -0.02 0.47 -0.33 0.29 0.09 0.00 0.00 178.44 178.94 1wxm n LYS 39 N -3.77 -0.17 -0.34 1.13 5.02 0.24 0.20 118.16 120.47 1wxm n LYS 39 Ca -0.04 1.51 0.11 0.00 -2.02 0.00 0.00 58.31 57.87 1wxm n LYS 39 Cb 0.15 -2.25 0.22 0.00 -0.02 0.00 0.00 35.03 33.13 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 -5.50 -0.40 0.07 -0.18 3.14 0.24 0.18 118.33 115.87 1wxm n VAL 40 Ca 0.12 2.15 0.02 0.00 -2.96 0.00 0.00 64.34 63.68 1wxm n VAL 40 Cb 0.43 -3.07 -0.04 0.00 -1.06 0.00 0.00 33.84 30.10 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 0.00 0.00 1.45 3.08 0.14 -3.48 114.38 115.57 1wxm h ARG 41 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1wxm h ARG 41 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1wxm h ARG 41 CO -0.94 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 178.65 1wxm n GLY 42 N 1.32 1.00 3.66 0.04 0.00 0.53 -5.08 105.19 106.66 1wxm n GLY 42 Ca -0.05 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 1.75 0.44 0.99 1.43 -0.67 -4.85 118.68 117.78 1wxm s LEU 43 Ca 0.00 1.37 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1wxm s LEU 43 Cb 0.00 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1wxm s LEU 43 CO 0.00 -3.12 0.08 0.21 0.23 0.00 0.00 176.35 173.75 1wxm s ASN 44 N -3.29 4.14 -0.64 2.29 2.47 -1.26 -4.14 114.94 114.51 1wxm s ASN 44 Ca 0.65 -1.35 -0.00 0.00 0.42 0.00 0.00 52.86 52.58 1wxm s ASN 44 Cb -0.19 -0.14 0.43 0.00 -1.45 0.00 0.00 41.25 39.89 1wxm s ASN 44 CO 0.58 -0.62 1.88 0.00 -3.72 0.00 0.00 177.10 175.22 1wxm n GLN 45 N -1.17 2.87 0.00 0.43 3.00 -1.26 -3.95 117.38 117.29 1wxm n GLN 45 Ca -0.07 -3.52 0.00 0.00 -0.01 0.00 0.00 57.00 53.40 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 -0.25 0.00 0.00 0.00 177.06 176.81 1wxm n ASP 46 N -0.79 0.00 -1.51 1.08 8.00 -1.26 -4.83 116.55 117.23 1wxm n ASP 46 Ca 0.57 0.00 0.01 0.00 0.71 0.00 0.00 54.79 56.08 1wxm n ASP 46 Cb 0.61 0.12 0.24 0.00 -0.02 0.00 0.00 41.12 42.07 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 -3.25 0.19 -0.10 0.00 0.11 0.12 -4.84 120.40 112.63 1wxm s VAL 49 Ca 0.01 -1.70 0.01 0.00 -2.93 0.00 0.00 61.98 57.37 1wxm s VAL 49 Cb 0.03 -1.54 0.02 0.00 -1.53 0.00 0.00 36.38 33.36 1wxm s VAL 49 CO -0.08 -0.88 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.02 1wxm s VAL 50 N -3.92 1.20 -0.05 2.04 1.01 -1.25 0.13 120.40 119.55 1wxm s VAL 50 Ca 0.08 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1wxm s VAL 50 Cb 0.07 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1wxm s VAL 50 CO -0.09 0.39 0.05 -0.31 0.00 0.00 0.00 175.10 175.14 1wxm s TYR 51 N 1.23 3.26 -0.12 5.22 2.02 0.11 0.76 117.35 129.83 1wxm s TYR 51 Ca -0.03 0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1wxm s TYR 51 Cb -0.14 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1wxm s TYR 51 CO -0.04 0.54 -0.05 1.03 -1.57 0.00 0.00 175.55 175.46 1wxm s ARG 52 N -1.31 3.36 -0.59 -0.62 0.52 0.14 0.09 118.95 120.55 1wxm s ARG 52 Ca 0.18 -0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 54.57 1wxm s ARG 52 Cb -0.12 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.59 1wxm s ARG 52 CO 0.08 0.38 1.30 -0.51 0.02 0.00 0.00 175.30 176.57 1wxm s LEU 53 N -0.02 3.40 -0.32 2.53 2.01 -1.15 0.10 118.68 125.23 1wxm s LEU 53 Ca 0.00 0.14 0.02 0.00 0.01 0.00 0.00 54.13 54.31 1wxm s LEU 53 Cb -0.13 -3.06 0.10 0.00 0.01 0.00 0.00 46.19 43.10 1wxm s LEU 53 CO 0.03 -1.62 0.05 -0.63 1.01 0.00 0.00 176.35 175.19 1wxm s ILE 54 N 5.53 1.85 0.00 -0.59 1.09 -1.10 -4.75 121.20 123.22 1wxm s ILE 54 Ca 0.47 -1.98 0.00 0.00 -1.10 0.00 0.00 60.65 58.03 1wxm s ILE 54 Cb -0.09 -2.33 0.00 0.00 -1.06 0.00 0.00 42.46 38.98 1wxm s ILE 54 CO 0.24 -0.56 0.00 1.17 -0.10 0.00 0.00 174.94 175.69 1wxm n LYS 55 N 4.45 0.00 0.00 2.79 3.00 -1.26 -3.28 118.16 123.85 1wxm n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wxm n LYS 55 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.45 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wxm n GLY 56 N 0.00 0.00 3.24 3.14 0.00 -1.26 -5.17 105.19 105.14 1wxm n GLY 56 Ca 0.00 0.00 -0.13 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 0.00 0.51 -0.36 1.61 1.81 -1.21 -5.11 118.95 116.20 1wxm s ARG 57 Ca 0.00 0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.94 1wxm s ARG 57 Cb 0.00 0.24 -0.01 0.00 -0.45 0.00 0.00 34.95 34.73 1wxm s ARG 57 CO 0.00 -0.10 1.62 0.15 -0.68 0.00 0.00 175.30 176.29 1wxm s LYS 58 N -0.41 3.46 -0.60 3.54 3.01 -1.26 -2.70 119.74 124.78 1wxm s LYS 58 Ca -0.05 1.22 -0.10 0.00 -1.01 0.00 0.00 55.97 56.03 1wxm s LYS 58 Cb -0.04 -4.12 0.15 0.00 -1.01 0.00 0.00 37.83 32.82 1wxm s LYS 58 CO 0.02 -1.71 0.49 0.99 0.51 0.00 0.00 175.35 175.65 1wxm s THR 59 N 6.18 4.57 0.48 2.17 2.01 0.11 -4.77 115.64 126.39 1wxm s THR 59 Ca 0.71 -2.17 -0.19 0.00 0.31 0.00 0.00 61.69 60.35 1wxm s THR 59 Cb -0.19 -3.94 -0.13 0.00 0.01 0.00 0.00 72.50 68.25 1wxm s THR 59 CO 0.33 -0.87 0.17 0.52 -0.69 0.00 0.00 174.62 174.08 1wxm n VAL 60 N 4.42 0.93 -4.36 3.82 0.31 -1.26 0.26 118.33 122.45 1wxm n VAL 60 Ca 0.00 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.61 1wxm n VAL 60 Cb 0.42 -0.24 -0.11 0.00 -0.91 0.00 0.00 33.84 33.00 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 -1.78 1.94 0.19 2.52 -1.32 0.23 -4.70 115.64 112.72 1wxm s THR 61 Ca 0.61 -2.01 -0.16 0.00 -1.21 0.00 0.00 61.69 58.92 1wxm s THR 61 Cb -0.54 -1.95 -0.08 0.00 -1.51 0.00 0.00 72.50 68.43 1wxm s THR 61 CO 0.61 -0.33 0.62 0.00 -2.21 0.00 0.00 174.62 173.32 1wxm s ALA 62 N -2.15 3.50 0.04 11.08 0.00 -1.26 -4.56 121.76 128.41 1wxm s ALA 62 Ca 0.18 -0.03 0.33 0.00 0.00 0.00 0.00 51.96 52.44 1wxm s ALA 62 Cb -0.05 -2.63 1.27 0.00 0.00 0.00 0.00 23.12 21.70 1wxm s ALA 62 CO 0.08 0.41 1.95 -1.49 0.00 0.00 0.00 175.76 176.70 1wxm h TRP 63 N 3.33 0.00 -0.91 0.00 4.06 -1.97 -2.01 115.95 118.45 1wxm h TRP 63 Ca -0.48 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.02 1wxm h TRP 63 Cb 1.19 0.00 -0.27 0.00 -1.00 0.00 0.00 29.16 29.08 1wxm h TRP 63 CO 0.64 0.00 0.57 -0.25 -3.56 0.00 0.00 178.44 175.84 1wxm n ASP 64 N -3.06 3.89 -4.86 -3.49 9.92 -1.26 -2.44 116.55 115.25 1wxm n ASP 64 Ca 0.01 -3.47 -0.30 0.00 -0.53 0.00 0.00 54.79 50.50 1wxm n ASP 64 Cb 0.32 -0.81 -0.05 0.00 -0.64 0.00 0.00 41.12 39.94 1wxm n ASP 64 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1wxm s THR 65 N -3.10 4.97 0.70 -3.53 2.01 -0.76 -4.95 115.64 110.99 1wxm s THR 65 Ca 0.54 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1wxm s THR 65 Cb 0.45 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1wxm s THR 65 CO 0.11 0.07 1.06 0.00 -0.69 0.00 0.00 174.62 175.17 1wxm s ALA 66 N -1.53 2.69 -0.20 7.40 0.00 -1.26 0.10 121.76 128.96 1wxm s ALA 66 Ca 0.32 0.03 0.15 0.00 0.00 0.00 0.00 51.96 52.46 1wxm s ALA 66 Cb -0.12 -3.15 0.48 0.00 0.00 0.00 0.00 23.12 20.32 1wxm s ALA 66 CO 0.25 -1.21 1.38 1.51 0.00 0.00 0.00 175.76 177.70 1wxm n ILE 67 N -3.12 2.29 -0.05 0.00 0.13 -1.03 -4.47 119.36 113.11 1wxm n ILE 67 Ca 0.07 -2.22 -0.02 0.00 -1.10 0.00 0.00 62.75 59.48 1wxm n ILE 67 Cb 0.54 -0.27 -0.02 0.00 -0.84 0.00 0.00 39.64 39.05 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 1.25 -0.01 0.00 1.51 0.00 -1.82 -3.35 119.26 116.83 1wxm h ALA 68 Ca 0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1wxm h ALA 68 Cb 1.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1wxm h ALA 68 CO 0.23 -0.01 0.24 -0.35 0.00 0.00 0.00 179.25 179.36 1wxm n PRO 69 N -4.76 1.66 -1.47 0.00 -0.04 -1.26 -3.42 135.00 125.70 1wxm n PRO 69 Ca -0.01 -0.88 0.03 0.00 -0.04 0.00 0.00 63.50 62.60 1wxm n PRO 69 Cb 0.07 -1.96 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.79 0.82 0.00 1.53 7.99 -1.26 -4.96 117.00 123.91 1wxm n LEU 70 Ca 0.36 -2.01 0.00 0.00 -0.01 0.00 0.00 56.01 54.34 1wxm n LEU 70 Cb 0.63 0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 1wxm n LEU 70 CO 0.23 0.60 0.35 -0.67 -1.51 0.00 0.00 177.39 176.39 1wxm n ASP 71 N 0.44 0.00 -4.32 -1.43 2.03 -1.22 -4.33 116.55 107.71 1wxm n ASP 71 Ca 0.03 0.71 -0.46 0.00 0.52 0.00 0.00 54.79 55.59 1wxm n ASP 71 Cb 1.10 -0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 41.26 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 -0.42 2.26 0.05 0.27 0.00 -1.26 -4.64 107.32 103.58 1wxm s GLY 72 Ca 0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 44.72 41.86 1wxm s GLY 72 CO 0.00 1.26 0.34 -1.84 0.00 0.00 0.00 173.10 172.86 1wxm n GLU 73 N 4.91 0.19 -3.52 2.90 -0.00 -1.26 -5.12 120.64 118.74 1wxm n GLU 73 Ca -0.04 -0.45 -0.14 0.00 -0.00 0.00 0.00 57.16 56.53 1wxm n GLU 73 Cb 0.43 0.61 -0.12 0.00 -0.00 0.00 0.00 31.44 32.36 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 -2.01 0.22 0.09 3.44 2.02 -1.26 -4.20 118.70 116.98 1wxm s GLU 74 Ca 0.08 0.49 -0.14 0.00 0.02 0.00 0.00 54.97 55.41 1wxm s GLU 74 Cb -0.01 -0.60 -0.06 0.00 0.10 0.00 0.00 34.13 33.55 1wxm s GLU 74 CO 0.02 -0.52 0.49 -0.51 0.02 0.00 0.00 175.26 174.76 1wxm s LEU 75 N 2.42 4.40 -0.25 1.80 1.43 -1.12 -2.92 118.68 124.43 1wxm s LEU 75 Ca 0.06 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1wxm s LEU 75 Cb -0.14 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.12 1wxm s LEU 75 CO -0.12 0.19 -0.08 -0.63 0.23 0.00 0.00 176.35 175.94 1wxm s ILE 76 N -1.31 2.55 -0.37 -0.59 1.01 0.11 -1.08 121.20 121.52 1wxm s ILE 76 Ca 0.32 -1.29 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 1wxm s ILE 76 Cb -0.16 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1wxm s ILE 76 CO 0.18 0.10 0.53 -0.69 0.00 0.00 0.00 174.94 175.06 1wxm s VAL 77 N 1.23 4.99 0.29 2.92 1.01 0.19 0.10 120.40 131.12 1wxm s VAL 77 Ca -0.03 0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.27 1wxm s VAL 77 Cb -0.18 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1wxm s VAL 77 CO -0.05 -0.31 -0.03 -1.61 0.00 0.00 0.00 175.10 173.09 1wxm s GLU 78 N 2.45 2.12 -0.23 2.72 2.02 0.12 -2.06 118.70 125.84 1wxm s GLU 78 Ca 0.19 -1.57 -0.04 0.00 0.02 0.00 0.00 54.97 53.56 1wxm s GLU 78 Cb -0.15 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 1wxm s GLU 78 CO 0.14 0.29 -0.03 0.54 0.02 0.00 0.00 175.26 176.23 1wxm s VAL 79 N -2.41 3.44 -0.44 2.63 0.11 -1.26 0.12 120.40 122.59 1wxm s VAL 79 Ca 0.32 -0.52 -0.28 0.00 -2.93 0.00 0.00 61.98 58.58 1wxm s VAL 79 Cb -0.04 -2.60 -0.08 0.00 -1.53 0.00 0.00 36.38 32.13 1wxm s VAL 79 CO 0.19 0.38 2.37 0.18 -3.33 0.00 0.00 175.10 174.89 1wxm n LEU 80 N 4.80 2.44 -3.64 2.54 4.77 0.16 -4.81 117.00 123.26 1wxm n LEU 80 Ca -0.18 -0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1wxm n LEU 80 Cb 0.50 -1.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.07 1wxm n LEU 80 CO 0.29 -1.23 0.97 -0.55 -1.33 0.00 0.00 177.39 175.54 1wxm s SER 81 N 10.67 -0.10 0.00 -1.43 0.15 -1.26 -4.89 113.70 116.84 1wxm s SER 81 Ca 1.02 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1wxm s SER 81 Cb -0.33 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wxm s SER 81 CO 0.31 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1wxm n GLY 82 N -0.44 3.73 2.91 9.45 0.00 -1.26 -5.01 105.19 114.56 1wxm n GLY 82 Ca -0.07 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.20 2.16 0.00 1.61 -0.04 -1.26 -4.70 135.00 131.56 1wxm n PRO 83 Ca 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1wxm n PRO 83 Cb 0.00 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 1wxm n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wxm n SER 84 N 6.75 0.00 -1.30 3.54 7.64 -1.26 -5.17 113.62 123.83 1wxm n SER 84 Ca 0.51 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.54 1wxm n SER 84 Cb 0.39 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.52 1wxm n SER 84 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wxm n SER 85 N 0.00 -6.87 0.00 6.43 2.88 -1.26 -5.07 113.62 109.73 1wxm n SER 85 Ca 0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1wxm n SER 85 Cb 0.00 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 59.16 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42