#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 -6.48 -3.26 1.61 3.41 -1.26 -4.91 113.62 102.73 1wxm n SER 2 Ca 0.00 0.78 -0.06 0.00 -0.26 0.00 0.00 58.87 59.33 1wxm n SER 2 Cb 0.00 -3.90 -0.04 0.00 -0.26 0.00 0.00 64.21 60.01 1wxm n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wxm s SER 3 N -6.14 -0.40 0.14 4.04 1.04 -1.26 -5.02 113.70 106.10 1wxm s SER 3 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1wxm s SER 3 Cb 0.00 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.52 1wxm s SER 3 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wxm n GLY 4 N 4.66 -0.15 2.94 7.32 0.00 -1.26 -5.01 105.19 113.69 1wxm n GLY 4 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1wxm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wxm s SER 5 N -5.13 4.31 -0.44 1.61 0.15 -1.26 -5.02 113.70 107.92 1wxm s SER 5 Ca 0.00 -2.89 0.03 0.00 0.70 0.00 0.00 55.95 53.79 1wxm s SER 5 Cb 0.00 -1.59 0.12 0.00 -1.71 0.00 0.00 66.02 62.84 1wxm s SER 5 CO 0.00 -0.25 0.20 -0.44 1.20 0.00 0.00 173.24 173.95 1wxm s SER 6 N -0.11 4.12 0.00 5.45 0.01 -1.26 -5.01 113.70 116.89 1wxm s SER 6 Ca 0.16 -2.60 0.00 0.00 1.31 0.00 0.00 55.95 54.82 1wxm s SER 6 Cb -0.25 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1wxm s SER 6 CO -0.01 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1wxm n GLY 7 N 3.62 2.69 0.00 3.44 0.00 -1.26 -5.06 105.19 108.61 1wxm n GLY 7 Ca 0.05 -1.47 0.00 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 1.42 0.31 3.54 -0.02 0.00 -1.26 -5.09 105.19 104.10 1wxm n GLY 8 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.02 0.02 2.61 -4.23 -1.26 -2.99 115.64 109.82 1wxm s THR 9 Ca 0.00 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1wxm s THR 9 Cb 0.00 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1wxm s THR 9 CO 0.00 -0.11 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.24 1wxm s VAL 10 N -3.92 0.28 -0.10 2.29 1.01 0.14 -4.66 120.40 115.44 1wxm s VAL 10 Ca 0.13 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1wxm s VAL 10 Cb -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1wxm s VAL 10 CO 0.01 -0.34 0.52 -0.54 0.00 0.00 0.00 175.10 174.74 1wxm s LYS 11 N -1.21 4.35 -0.24 2.72 1.02 -1.26 0.01 119.74 125.12 1wxm s LYS 11 Ca -0.10 0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.44 1wxm s LYS 11 Cb -0.08 -3.43 0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1wxm s LYS 11 CO -0.00 0.15 -0.12 0.08 -0.92 0.00 0.00 175.35 174.54 1wxm s VAL 12 N 0.61 2.27 -0.26 3.17 1.01 0.15 -2.84 120.40 124.50 1wxm s VAL 12 Ca 0.28 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.59 1wxm s VAL 12 Cb -0.16 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1wxm s VAL 12 CO 0.12 0.12 0.97 -0.31 0.00 0.00 0.00 175.10 176.00 1wxm s TYR 13 N 1.18 3.27 0.45 5.22 2.02 0.04 0.30 117.35 129.82 1wxm s TYR 13 Ca -0.05 1.24 -0.03 0.00 -0.37 0.00 0.00 57.07 57.86 1wxm s TYR 13 Cb -0.18 -3.31 -0.03 0.00 -0.40 0.00 0.00 41.96 38.04 1wxm s TYR 13 CO -0.07 -0.54 0.72 -0.51 -1.57 0.00 0.00 175.55 173.58 1wxm s LEU 14 N 3.20 3.71 -1.15 -1.29 1.43 0.16 0.65 118.68 125.39 1wxm s LEU 14 Ca 0.41 0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 54.06 1wxm s LEU 14 Cb -0.14 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 1wxm s LEU 14 CO 0.09 -0.54 2.00 -0.81 0.23 0.00 0.00 176.35 177.32 1wxm n PRO 15 N -2.14 2.24 0.00 1.29 -0.04 -0.83 -3.49 135.00 132.04 1wxm n PRO 15 Ca -0.01 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1wxm n PRO 15 Cb 0.56 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 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 8.24 0.00 -1.74 3.54 5.15 -1.26 -4.92 115.26 124.27 1wxm n ASN 16 Ca 0.50 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.39 1wxm n ASN 16 Cb 0.42 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 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 -1.70 -4.07 1.20 4.76 -1.23 -4.89 118.16 112.24 1wxm n LYS 17 Ca 0.00 0.48 -0.23 0.00 -2.87 0.00 0.00 58.31 55.69 1wxm n LYS 17 Cb 0.00 -4.80 -0.06 0.00 -1.84 0.00 0.00 35.03 28.33 1wxm n LYS 17 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wxm s GLN 18 N -3.65 2.45 0.01 1.97 -0.21 -1.23 -5.00 119.66 114.00 1wxm s GLN 18 Ca 0.00 -1.47 -0.13 0.00 0.02 0.00 0.00 55.36 53.78 1wxm s GLN 18 Cb 0.00 -2.25 0.02 0.00 1.00 0.00 0.00 33.01 31.78 1wxm s GLN 18 CO 0.00 0.15 0.28 -0.98 -2.12 0.00 0.00 175.29 172.62 1wxm s ARG 19 N -3.85 0.68 -0.03 2.91 3.03 -1.26 0.37 118.95 120.80 1wxm s ARG 19 Ca 0.37 -0.33 -0.01 0.00 2.03 0.00 0.00 55.73 57.79 1wxm s ARG 19 Cb -0.04 0.30 0.02 0.00 -1.03 0.00 0.00 34.95 34.20 1wxm s ARG 19 CO 0.23 -0.19 0.06 -0.08 -1.13 0.00 0.00 175.30 174.19 1wxm s THR 20 N -1.73 -0.03 -0.06 4.99 -1.32 0.15 -4.92 115.64 112.72 1wxm s THR 20 Ca -0.11 0.11 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 1wxm s THR 20 Cb -0.04 -0.11 -0.04 0.00 -1.51 0.00 0.00 72.50 70.80 1wxm s THR 20 CO 0.01 0.04 0.65 -0.69 -2.21 0.00 0.00 174.62 172.43 1wxm s VAL 21 N 0.60 5.03 0.21 5.08 1.01 -1.26 0.30 120.40 131.37 1wxm s VAL 21 Ca -0.05 1.34 0.11 0.00 0.00 0.00 0.00 61.98 63.38 1wxm s VAL 21 Cb -0.07 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1wxm s VAL 21 CO -0.02 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.47 1wxm s VAL 22 N 0.55 2.24 0.32 2.92 1.01 0.10 -4.90 120.40 122.64 1wxm s VAL 22 Ca 0.35 -2.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.04 1wxm s VAL 22 Cb -0.18 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1wxm s VAL 22 CO 0.17 -0.24 0.82 -0.89 0.00 0.00 0.00 175.10 174.96 1wxm s THR 23 N -1.98 4.51 -0.43 3.92 2.01 -1.26 0.27 115.64 122.68 1wxm s THR 23 Ca 0.22 1.30 -0.18 0.00 0.31 0.00 0.00 61.69 63.33 1wxm s THR 23 Cb -0.07 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1wxm s THR 23 CO 0.10 -0.07 0.48 -0.69 -0.69 0.00 0.00 174.62 173.75 1wxm s VAL 24 N -1.86 5.03 -0.36 3.82 1.01 -1.16 -4.85 120.40 122.03 1wxm s VAL 24 Ca 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1wxm s VAL 24 Cb -0.13 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.26 1wxm s VAL 24 CO 0.18 -0.47 0.10 -0.13 0.00 0.00 0.00 175.10 174.78 1wxm s ARG 25 N 2.28 2.04 -1.06 2.72 0.52 -1.26 -4.93 118.95 119.26 1wxm s ARG 25 Ca 0.14 -1.65 -0.25 0.00 -0.52 0.00 0.00 55.73 53.46 1wxm s ARG 25 Cb -0.17 -3.37 -0.17 0.00 0.52 0.00 0.00 34.95 31.77 1wxm s ARG 25 CO 0.15 -0.89 1.99 -0.25 0.02 0.00 0.00 175.30 176.31 1wxm n ASP 26 N 4.53 2.24 0.00 0.23 9.92 -1.26 -2.81 116.55 129.41 1wxm n ASP 26 Ca -0.05 -2.61 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 1wxm n ASP 26 Cb 0.42 -1.64 0.00 0.00 -0.64 0.00 0.00 41.12 39.26 1wxm n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wxm n GLY 27 N 5.81 -1.57 3.45 0.44 0.00 -1.26 -5.01 105.19 107.05 1wxm n GLY 27 Ca 0.44 0.56 -0.29 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.11 -1.69 1.61 0.00 -1.12 -4.81 117.12 109.00 1wxm n MET 28 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 57.70 57.03 1wxm n MET 28 Cb 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 33.22 31.17 1wxm n MET 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1wxm n SER 29 N -4.19 0.77 0.08 3.17 3.41 -1.26 -2.38 113.62 113.22 1wxm n SER 29 Ca 0.03 -1.59 -0.22 0.00 -0.26 0.00 0.00 58.87 56.83 1wxm n SER 29 Cb 0.55 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.19 1.38 0.55 -3.33 2.07 -0.27 -3.06 116.25 113.41 1wxm h VAL 30 Ca -0.13 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 64.79 1wxm h VAL 30 Cb 0.54 3.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1wxm h VAL 30 CO 0.16 0.76 -0.50 0.22 0.02 0.00 0.00 177.57 178.23 1wxm h TYR 31 N -0.16 -1.37 -0.20 1.57 3.20 -1.72 1.57 116.97 119.86 1wxm h TYR 31 Ca -0.20 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.73 1wxm h TYR 31 Cb 1.86 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 40.65 1wxm h TYR 31 CO 0.17 -0.68 0.27 -0.44 -1.64 0.00 0.00 178.16 175.84 1wxm h ASP 32 N -1.03 0.00 0.00 -2.11 3.32 -1.85 1.62 116.42 116.37 1wxm h ASP 32 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1wxm h ASP 32 Cb 0.88 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1wxm h ASP 32 CO -0.03 0.00 -0.06 0.28 -1.72 0.00 0.00 179.24 177.71 1wxm h SER 33 N 0.00 0.00 -0.22 6.45 0.02 -0.97 -3.29 113.55 115.54 1wxm h SER 33 Ca 0.09 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1wxm h SER 33 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1wxm h SER 33 CO -0.00 0.88 0.00 0.18 -1.14 0.00 0.00 176.83 176.75 1wxm n LEU 34 N -4.65 2.28 -0.02 5.07 7.99 0.52 -3.94 117.00 124.26 1wxm n LEU 34 Ca -0.08 -1.15 -0.13 0.00 -0.01 0.00 0.00 56.01 54.64 1wxm n LEU 34 Cb 0.35 -0.45 -0.10 0.00 -0.11 0.00 0.00 43.42 43.11 1wxm n LEU 34 CO 0.24 0.37 0.52 -0.78 -1.51 0.00 0.00 177.39 176.22 1wxm h ASP 35 N 1.41 -0.04 0.00 -1.43 1.82 0.23 -3.12 116.42 115.30 1wxm h ASP 35 Ca 0.00 -0.60 -0.01 0.00 -0.39 0.00 0.00 57.03 56.04 1wxm h ASP 35 Cb 0.82 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1wxm h ASP 35 CO 0.12 0.60 -0.02 0.50 -1.61 0.00 0.00 179.24 178.83 1wxm h LYS 36 N -0.71 0.01 -1.80 0.28 3.64 -1.77 -1.61 116.57 114.61 1wxm h LYS 36 Ca -0.00 -0.02 0.54 0.00 -1.27 0.00 0.00 60.65 59.90 1wxm h LYS 36 Cb 0.63 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.37 1wxm h LYS 36 CO 0.01 0.84 1.27 0.00 -2.27 0.00 0.00 179.45 179.30 1wxm n ALA 37 N -2.52 1.74 -0.07 5.00 0.00 -1.26 0.14 120.51 123.54 1wxm n ALA 37 Ca -0.10 0.69 -0.06 0.00 0.00 0.00 0.00 53.44 53.98 1wxm n ALA 37 Cb 0.41 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.81 0.00 3.38 -1.52 -3.39 115.31 112.97 1wxm h LEU 38 Ca 0.91 -0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.99 1wxm h LEU 38 Cb 3.49 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 44.09 1wxm h LEU 38 CO -0.12 0.80 -0.15 0.11 0.09 0.00 0.00 178.44 179.18 1wxm h LYS 39 N -1.00 0.02 -1.94 1.13 1.57 0.48 1.70 116.57 118.53 1wxm h LYS 39 Ca -0.03 -0.00 0.57 0.00 -1.87 0.00 0.00 60.65 59.31 1wxm h LYS 39 Cb 0.53 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.75 1wxm h LYS 39 CO -0.02 0.01 1.39 1.55 -0.57 0.00 0.00 179.45 181.81 1wxm n VAL 40 N -5.49 -0.03 -0.07 0.50 3.14 0.37 0.12 118.33 116.87 1wxm n VAL 40 Ca 0.13 1.53 -0.08 0.00 -2.96 0.00 0.00 64.34 62.96 1wxm n VAL 40 Cb 0.45 -2.55 -0.11 0.00 -1.06 0.00 0.00 33.84 30.57 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 -4.01 1.55 0.00 1.45 1.74 0.50 -5.00 116.66 112.88 1wxm n ARG 41 Ca 0.45 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1wxm n ARG 41 Cb 1.99 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 32.08 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 2.20 1.08 3.66 -0.13 0.00 0.33 -5.12 105.19 107.21 1wxm n GLY 42 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 1.66 0.06 0.99 1.43 -0.70 -4.82 118.68 117.30 1wxm s LEU 43 Ca 0.00 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1wxm s LEU 43 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1wxm s LEU 43 CO 0.00 -3.20 -0.04 0.21 0.23 0.00 0.00 176.35 173.55 1wxm s ASN 44 N -3.28 0.64 -0.25 2.29 2.47 -1.26 -3.74 114.94 111.81 1wxm s ASN 44 Ca 0.65 -0.87 -0.03 0.00 0.42 0.00 0.00 52.86 53.04 1wxm s ASN 44 Cb -0.20 0.14 0.05 0.00 -1.45 0.00 0.00 41.25 39.79 1wxm s ASN 44 CO 0.59 -0.47 2.52 0.00 -3.72 0.00 0.00 177.10 176.02 1wxm n GLN 45 N 0.47 1.89 0.00 0.43 3.00 -1.26 -3.59 117.38 118.32 1wxm n GLN 45 Ca -0.16 -1.45 0.00 0.00 -0.01 0.00 0.00 57.00 55.38 1wxm n GLN 45 Cb 0.59 -1.74 0.00 0.00 0.00 0.00 0.00 30.24 29.09 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 1.07 0.01 -1.98 1.08 -0.08 -1.26 -4.80 116.55 110.59 1wxm n ASP 46 Ca 0.33 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.37 1wxm n ASP 46 Cb 0.62 -0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.14 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 -1.19 0.86 -0.15 0.00 0.11 0.14 -4.77 120.40 115.40 1wxm s VAL 49 Ca -0.13 -1.56 0.01 0.00 -2.93 0.00 0.00 61.98 57.37 1wxm s VAL 49 Cb -0.08 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1wxm s VAL 49 CO -0.00 -0.54 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.36 1wxm s VAL 50 N -2.32 1.82 -0.12 2.04 1.01 -1.25 -0.01 120.40 121.56 1wxm s VAL 50 Ca 0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1wxm s VAL 50 Cb -0.04 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1wxm s VAL 50 CO -0.00 0.50 0.14 -0.31 0.00 0.00 0.00 175.10 175.43 1wxm s TYR 51 N 1.21 3.59 -0.06 5.22 2.02 0.10 -0.83 117.35 128.60 1wxm s TYR 51 Ca 0.01 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1wxm s TYR 51 Cb -0.14 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 1wxm s TYR 51 CO -0.08 0.72 -0.15 1.03 -1.57 0.00 0.00 175.55 175.51 1wxm s ARG 52 N -0.99 2.60 -0.82 -0.62 0.52 0.15 0.15 118.95 119.93 1wxm s ARG 52 Ca 0.15 -0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 54.46 1wxm s ARG 52 Cb -0.12 -2.40 0.11 0.00 0.52 0.00 0.00 34.95 33.06 1wxm s ARG 52 CO 0.04 0.57 1.05 -0.51 0.02 0.00 0.00 175.30 176.47 1wxm s LEU 53 N -0.59 4.84 -0.10 2.53 2.01 -1.12 0.09 118.68 126.34 1wxm s LEU 53 Ca 0.09 -1.66 -0.09 0.00 0.01 0.00 0.00 54.13 52.48 1wxm s LEU 53 Cb -0.11 -2.40 -0.03 0.00 0.01 0.00 0.00 46.19 43.66 1wxm s LEU 53 CO 0.01 -1.19 -0.17 -0.38 1.01 0.00 0.00 176.35 175.63 1wxm n ILE 54 N 5.66 0.91 -2.21 -0.59 -0.00 -1.24 -4.67 119.36 117.22 1wxm n ILE 54 Ca 0.13 0.30 -0.27 0.00 -0.00 0.00 0.00 62.75 62.91 1wxm n ILE 54 Cb 0.48 -2.04 0.01 0.00 -0.00 0.00 0.00 39.64 38.09 1wxm n ILE 54 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1wxm n LYS 55 N -3.72 3.40 -1.60 0.38 4.81 -1.26 -4.85 118.16 115.32 1wxm n LYS 55 Ca -0.07 -4.24 -0.13 0.00 -0.87 0.00 0.00 58.31 53.00 1wxm n LYS 55 Cb 0.25 -2.26 -0.04 0.00 0.02 0.00 0.00 35.03 32.99 1wxm n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wxm n GLY 56 N -0.59 0.95 3.04 3.14 0.00 -1.26 -4.99 105.19 105.47 1wxm n GLY 56 Ca 0.43 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1wxm n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wxm s ARG 57 N -3.48 0.67 -0.37 1.61 1.70 -1.26 -5.09 118.95 112.73 1wxm s ARG 57 Ca 0.00 -0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 54.55 1wxm s ARG 57 Cb 0.00 -0.63 -0.03 0.00 -0.57 0.00 0.00 34.95 33.72 1wxm s ARG 57 CO 0.00 0.16 1.97 0.15 -1.08 0.00 0.00 175.30 176.50 1wxm s LYS 58 N -0.55 3.04 -0.41 3.89 1.02 -1.26 -3.61 119.74 121.86 1wxm s LYS 58 Ca 0.01 1.42 -0.12 0.00 0.02 0.00 0.00 55.97 57.30 1wxm s LYS 58 Cb -0.05 -4.31 0.05 0.00 -0.52 0.00 0.00 37.83 33.00 1wxm s LYS 58 CO 0.00 -2.21 0.27 0.99 -0.92 0.00 0.00 175.35 173.48 1wxm s THR 59 N 8.14 4.70 0.44 2.17 2.01 0.11 -4.76 115.64 128.45 1wxm s THR 59 Ca 0.84 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.59 1wxm s THR 59 Cb -0.22 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 1wxm s THR 59 CO 0.31 -0.38 1.01 0.52 -0.69 0.00 0.00 174.62 175.39 1wxm n VAL 60 N 5.04 2.54 -4.44 3.82 0.31 -1.26 0.30 118.33 124.63 1wxm n VAL 60 Ca -0.11 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.49 1wxm n VAL 60 Cb 0.45 -1.17 -0.10 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.30 2.02 0.43 2.52 -1.32 -0.01 -4.82 115.64 113.17 1wxm s THR 61 Ca 0.64 -2.24 -0.01 0.00 -1.21 0.00 0.00 61.69 58.87 1wxm s THR 61 Cb -0.54 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.08 1wxm s THR 61 CO 0.56 -0.38 0.67 0.00 -2.21 0.00 0.00 174.62 173.26 1wxm s ALA 62 N -2.78 3.65 -0.29 11.08 0.00 -1.26 -4.61 121.76 127.56 1wxm s ALA 62 Ca 0.29 -0.90 0.23 0.00 0.00 0.00 0.00 51.96 51.57 1wxm s ALA 62 Cb -0.00 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1wxm s ALA 62 CO 0.12 -0.29 1.05 0.91 0.00 0.00 0.00 175.76 177.55 1wxm n TRP 63 N -2.05 0.86 -0.70 0.00 7.02 -1.26 -3.63 117.44 117.68 1wxm n TRP 63 Ca -0.00 0.25 -0.08 0.00 -1.02 0.00 0.00 57.50 56.65 1wxm n TRP 63 Cb 0.57 -0.89 0.24 0.00 -2.42 0.00 0.00 31.31 28.81 1wxm n TRP 63 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1wxm n ASP 64 N -2.57 4.23 -4.98 -0.99 -0.08 -1.26 -2.50 116.55 108.40 1wxm n ASP 64 Ca 0.00 -3.06 -0.20 0.00 -1.51 0.00 0.00 54.79 50.02 1wxm n ASP 64 Cb 0.53 -0.72 -0.01 0.00 2.34 0.00 0.00 41.12 43.27 1wxm n ASP 64 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1wxm s THR 65 N -2.58 4.43 0.35 5.18 2.01 -1.24 -4.94 115.64 118.85 1wxm s THR 65 Ca 0.46 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1wxm s THR 65 Cb 0.37 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 1wxm s THR 65 CO 0.11 -0.26 0.66 0.00 -0.69 0.00 0.00 174.62 174.44 1wxm s ALA 66 N -2.20 3.49 -0.78 7.40 0.00 -1.26 0.33 121.76 128.74 1wxm s ALA 66 Ca 0.42 -0.40 0.17 0.00 0.00 0.00 0.00 51.96 52.15 1wxm s ALA 66 Cb -0.09 -2.49 0.74 0.00 0.00 0.00 0.00 23.12 21.28 1wxm s ALA 66 CO 0.32 0.10 1.66 1.51 0.00 0.00 0.00 175.76 179.35 1wxm n ILE 67 N -1.18 2.16 -0.02 0.00 0.13 -1.00 -4.39 119.36 115.07 1wxm n ILE 67 Ca 0.00 -1.31 -0.07 0.00 -1.10 0.00 0.00 62.75 60.28 1wxm n ILE 67 Cb 0.54 -0.02 -0.06 0.00 -0.84 0.00 0.00 39.64 39.26 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 3.91 -0.08 0.00 1.51 0.00 -1.80 -3.35 119.26 119.45 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 1.62 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1wxm h ALA 68 CO 0.32 -0.09 1.33 -0.35 0.00 0.00 0.00 179.25 180.45 1wxm n PRO 69 N -4.78 2.08 0.00 0.00 -0.04 -1.26 -3.10 135.00 127.89 1wxm n PRO 69 Ca -0.05 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1wxm n PRO 69 Cb 0.21 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 0.88 -3.17 1.53 7.99 -1.26 -5.04 117.00 121.15 1wxm n LEU 70 Ca 0.45 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 56.08 1wxm n LEU 70 Cb 0.46 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.67 1wxm n LEU 70 CO 0.43 0.08 1.43 -0.67 -1.51 0.00 0.00 177.39 177.15 1wxm n ASP 71 N -2.03 0.38 -0.12 -1.43 -0.08 -1.18 -1.63 116.55 110.47 1wxm n ASP 71 Ca 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1wxm n ASP 71 Cb 0.18 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 42.98 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 5.09 0.68 0.00 0.27 0.00 -1.26 -4.99 105.19 104.98 1wxm n GLY 72 Ca 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.12 0.00 -3.68 1.61 -0.00 -0.64 -5.14 120.64 112.67 1wxm n GLU 73 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 1wxm n GLU 73 Cb 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.36 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 -1.70 0.20 -0.09 3.44 2.02 -1.26 -4.33 118.70 116.98 1wxm s GLU 74 Ca 0.00 0.72 -0.03 0.00 0.02 0.00 0.00 54.97 55.69 1wxm s GLU 74 Cb 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.18 1wxm s GLU 74 CO 0.00 -0.24 0.02 -0.51 0.02 0.00 0.00 175.26 174.55 1wxm s LEU 75 N 2.02 3.66 -0.28 1.80 1.43 -1.13 -2.80 118.68 123.38 1wxm s LEU 75 Ca -0.03 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1wxm s LEU 75 Cb -0.11 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1wxm s LEU 75 CO -0.09 0.37 -0.05 -0.63 0.23 0.00 0.00 176.35 176.17 1wxm s ILE 76 N -0.82 2.64 -0.16 -0.59 1.01 0.12 -0.78 121.20 122.62 1wxm s ILE 76 Ca 0.13 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 59.17 1wxm s ILE 76 Cb -0.11 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1wxm s ILE 76 CO 0.02 -0.02 0.50 -0.69 0.00 0.00 0.00 174.94 174.75 1wxm s VAL 77 N 1.21 5.14 0.24 2.92 1.01 0.21 0.01 120.40 131.14 1wxm s VAL 77 Ca -0.06 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1wxm s VAL 77 Cb -0.19 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wxm s VAL 77 CO -0.03 0.25 0.15 -1.61 0.00 0.00 0.00 175.10 173.86 1wxm s GLU 78 N 1.17 1.35 -0.15 2.72 0.41 0.98 -1.96 118.70 123.23 1wxm s GLU 78 Ca 0.25 -1.74 -0.10 0.00 -0.41 0.00 0.00 54.97 52.97 1wxm s GLU 78 Cb -0.15 0.19 -0.05 0.00 -1.78 0.00 0.00 34.13 32.34 1wxm s GLU 78 CO 0.10 -0.43 0.19 0.08 -0.49 0.00 0.00 175.26 174.70 1wxm s VAL 79 N -3.95 5.40 0.33 2.63 1.01 -1.26 0.28 120.40 124.84 1wxm s VAL 79 Ca 0.39 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1wxm s VAL 79 Cb 0.06 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 1wxm s VAL 79 CO 0.15 0.51 1.45 -0.76 0.00 0.00 0.00 175.10 176.45 1wxm s LEU 80 N -0.24 4.36 0.43 3.92 1.43 0.27 -4.65 118.68 124.19 1wxm s LEU 80 Ca 0.13 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1wxm s LEU 80 Cb -0.12 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1wxm s LEU 80 CO 0.02 -0.77 0.00 -0.24 0.23 0.00 0.00 176.35 175.59 1wxm n SER 81 N 1.12 -6.76 -3.79 2.29 2.88 -1.26 -4.90 113.62 103.21 1wxm n SER 81 Ca 0.03 1.16 -0.30 0.00 -1.33 0.00 0.00 58.87 58.43 1wxm n SER 81 Cb 0.40 -3.59 -0.14 0.00 -0.75 0.00 0.00 64.21 60.12 1wxm n SER 81 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wxm s GLY 82 N -3.82 1.46 0.09 0.46 0.00 -1.26 -4.97 107.32 99.29 1wxm s GLY 82 Ca 0.00 -2.17 -0.12 0.00 0.00 0.00 0.00 44.72 42.43 1wxm s GLY 82 CO 0.00 1.45 1.25 -0.56 0.00 0.00 0.00 173.10 175.24 1wxm h PRO 83 N 7.53 0.70 -3.86 2.90 0.13 -1.92 -3.42 132.00 134.08 1wxm h PRO 83 Ca -0.08 -0.68 -0.50 0.00 -0.87 0.00 0.00 66.00 63.87 1wxm h PRO 83 Cb 0.98 0.18 -0.38 0.00 0.13 0.00 0.00 31.00 31.91 1wxm h PRO 83 CO 0.49 1.27 -0.78 -1.54 -0.23 0.00 0.00 178.00 177.22 1wxm s SER 84 N -7.21 2.39 -0.36 1.44 1.04 -1.26 -4.93 113.70 104.82 1wxm s SER 84 Ca -0.09 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 1wxm s SER 84 Cb 0.08 -0.67 0.04 0.00 0.10 0.00 0.00 66.02 65.57 1wxm s SER 84 CO 0.91 -0.21 0.52 -0.24 0.98 0.00 0.00 173.24 175.20 1wxm n SER 85 N 5.02 -5.86 0.00 7.02 2.88 -1.26 -5.25 113.62 116.16 1wxm n SER 85 Ca -0.10 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1wxm n SER 85 Cb 0.49 -1.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 1wxm n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42