#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weo s SER 2 N 0.00 -0.39 0.14 1.61 0.15 -1.26 -5.19 113.70 108.77 1weo s SER 2 Ca 0.00 0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 1weo s SER 2 Cb 0.00 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1weo s SER 2 CO 0.00 -0.45 0.19 -0.44 1.20 0.00 0.00 173.24 173.74 1weo s SER 3 N -1.55 0.15 0.00 5.45 0.01 -1.26 -5.18 113.70 111.32 1weo s SER 3 Ca -0.00 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1weo s SER 3 Cb -0.01 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1weo s SER 3 CO -0.01 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1weo n GLY 4 N -0.15 3.67 3.53 3.44 0.00 -1.26 -5.19 105.19 109.22 1weo n GLY 4 Ca -0.08 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1weo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weo s SER 5 N -0.92 -0.38 0.31 1.61 0.15 -1.26 -5.18 113.70 108.02 1weo s SER 5 Ca 0.00 0.15 0.11 0.00 0.70 0.00 0.00 55.95 56.91 1weo s SER 5 Cb 0.00 0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 64.62 1weo s SER 5 CO 0.00 -0.53 -0.15 -0.94 1.20 0.00 0.00 173.24 172.82 1weo s SER 6 N -2.02 3.62 -0.20 5.45 1.04 -1.26 -5.09 113.70 115.25 1weo s SER 6 Ca 0.02 -1.11 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 1weo s SER 6 Cb -0.01 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 1weo s SER 6 CO -0.05 -0.08 1.62 -0.83 0.98 0.00 0.00 173.24 174.88 1weo s GLY 7 N -3.55 1.27 0.25 7.32 0.00 -1.26 -4.97 107.32 106.38 1weo s GLY 7 Ca 0.31 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 45.27 1weo s GLY 7 CO 0.15 3.00 1.27 2.56 0.00 0.00 0.00 173.10 180.09 1weo s PRO 8 N 4.57 4.42 0.43 2.90 0.04 -1.26 -5.02 135.00 141.08 1weo s PRO 8 Ca 0.72 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.65 1weo s PRO 8 Cb -0.26 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1weo s PRO 8 CO 0.29 -0.15 0.88 -1.59 0.04 0.00 0.00 177.00 176.46 1weo s LYS 9 N -0.81 3.99 -0.25 4.56 -2.85 -1.26 -5.00 119.74 118.13 1weo s LYS 9 Ca 0.52 0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 56.03 1weo s LYS 9 Cb -0.36 -2.26 -0.02 0.00 -2.06 0.00 0.00 37.83 33.12 1weo s LYS 9 CO 0.43 -0.07 1.63 -1.25 0.10 0.00 0.00 175.35 176.18 1weo s PRO 10 N -3.59 3.72 -0.01 1.78 0.04 -1.26 -5.00 135.00 130.69 1weo s PRO 10 Ca 0.57 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.25 1weo s PRO 10 Cb -0.10 -4.06 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 1weo s PRO 10 CO 0.24 -1.38 -0.16 -1.17 0.04 0.00 0.00 177.00 174.56 1weo s LEU 11 N 5.44 2.05 0.26 -3.56 0.20 -1.26 -5.11 118.68 116.69 1weo s LEU 11 Ca 0.72 -0.31 -0.30 0.00 0.69 0.00 0.00 54.13 54.93 1weo s LEU 11 Cb -0.24 -0.83 -0.14 0.00 -0.43 0.00 0.00 46.19 44.56 1weo s LEU 11 CO 0.30 0.19 1.27 1.17 -0.29 0.00 0.00 176.35 178.99 1weo n LYS 12 N 2.60 1.81 -2.76 1.98 4.81 -1.26 -4.99 118.16 120.34 1weo n LYS 12 Ca -0.15 0.64 -0.21 0.00 -0.87 0.00 0.00 58.31 57.72 1weo n LYS 12 Cb 0.54 -2.20 0.07 0.00 0.02 0.00 0.00 35.03 33.46 1weo n LYS 12 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1weo s ASN 13 N -0.04 4.90 -1.33 3.14 -0.87 -1.26 -4.56 114.94 114.92 1weo s ASN 13 Ca 0.64 -0.42 -0.05 0.00 -1.57 0.00 0.00 52.86 51.46 1weo s ASN 13 Cb -0.67 -0.19 0.02 0.00 -0.02 0.00 0.00 41.25 40.39 1weo s ASN 13 CO 0.55 -1.44 0.99 0.18 -2.57 0.00 0.00 177.10 174.81 1weo n LEU 14 N -2.46 -3.39 -0.04 0.60 4.77 -1.26 -4.91 117.00 110.31 1weo n LEU 14 Ca 0.13 -0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 55.32 1weo n LEU 14 Cb 0.60 -2.91 -0.07 0.00 -2.33 0.00 0.00 43.42 38.72 1weo n LEU 14 CO 0.42 0.49 0.71 0.44 -1.33 0.00 0.00 177.39 178.11 1weo h ASP 15 N -2.18 0.20 0.00 -1.43 3.32 -2.00 -3.48 116.42 110.85 1weo h ASP 15 Ca -0.59 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.11 1weo h ASP 15 Cb 1.36 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1weo h ASP 15 CO 0.56 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 179.21 1weo n GLY 16 N -0.15 4.13 0.60 2.75 0.00 -1.26 -4.96 105.19 106.30 1weo n GLY 16 Ca -0.06 -0.76 0.45 0.00 0.00 0.00 0.00 46.02 45.65 1weo n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1weo n GLN 17 N 0.00 -0.00 -1.69 1.61 6.02 -1.26 -4.34 117.38 117.72 1weo n GLN 17 Ca 0.00 0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 57.48 1weo n GLN 17 Cb 0.00 -2.11 -0.03 0.00 1.02 0.00 0.00 30.24 29.12 1weo n GLN 17 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1weo n PHE 18 N -3.62 2.66 -1.58 1.08 3.01 -1.26 -3.46 117.46 114.29 1weo n PHE 18 Ca 0.38 -0.16 -0.40 0.00 1.01 0.00 0.00 57.45 58.28 1weo n PHE 18 Cb 1.70 -2.74 0.03 0.00 -0.01 0.00 0.00 39.48 38.46 1weo n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1weo n GLU 20 N -0.21 0.65 -0.20 0.00 -0.58 -0.91 -2.66 120.64 116.72 1weo n GLU 20 Ca 0.11 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 1weo n GLU 20 Cb 0.43 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.66 1weo n GLU 20 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1weo h ILE 21 N -0.25 0.00 0.01 -3.67 2.04 -1.93 -3.29 117.51 110.42 1weo h ILE 21 Ca -0.58 0.00 -0.42 0.00 1.00 0.00 0.00 64.86 64.86 1weo h ILE 21 Cb 1.83 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1weo h ILE 21 CO -0.15 0.00 -2.41 0.00 0.00 0.00 0.00 178.15 175.59 1weo n GLY 23 N 1.70 2.82 3.04 0.00 0.00 -1.09 -5.09 105.19 106.59 1weo n GLY 23 Ca -0.49 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1weo n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1weo n ASP 24 N 0.00 -4.64 -4.62 1.61 -0.08 -1.26 -3.93 116.55 103.63 1weo n ASP 24 Ca 0.00 0.12 -0.41 0.00 -1.51 0.00 0.00 54.79 52.99 1weo n ASP 24 Cb 0.00 -0.72 -0.05 0.00 2.34 0.00 0.00 41.12 42.68 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1weo s GLN 25 N -2.19 4.03 -0.02 -0.67 0.74 -1.26 -0.30 119.66 119.99 1weo s GLN 25 Ca 0.41 0.59 -0.30 0.00 0.05 0.00 0.00 55.36 56.11 1weo s GLN 25 Cb -0.09 -3.69 -0.08 0.00 1.10 0.00 0.00 33.01 30.24 1weo s GLN 25 CO 0.76 -0.57 2.03 -0.89 -0.55 0.00 0.00 175.29 176.07 1weo n ILE 26 N 5.38 0.69 0.00 -2.34 5.41 -1.22 -4.83 119.36 122.43 1weo n ILE 26 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1weo n ILE 26 Cb 0.48 -2.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.04 1weo n ILE 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1weo n GLY 27 N 4.81 -0.99 3.52 7.39 0.00 -1.26 -4.85 105.19 113.81 1weo n GLY 27 Ca 0.22 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1weo n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1weo s LEU 28 N 0.00 2.71 0.77 0.99 1.43 -1.26 -3.86 118.68 119.45 1weo s LEU 28 Ca 0.00 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 1weo s LEU 28 Cb 0.00 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 45.13 1weo s LEU 28 CO 0.00 -0.05 1.10 0.42 0.23 0.00 0.00 176.35 178.06 1weo s THR 29 N -2.52 3.12 0.38 5.49 -4.23 0.67 -4.83 115.64 113.72 1weo s THR 29 Ca 0.31 0.36 0.23 0.00 -1.18 0.00 0.00 61.69 61.41 1weo s THR 29 Cb -0.03 -3.22 0.38 0.00 1.34 0.00 0.00 72.50 70.97 1weo s THR 29 CO 0.16 -0.48 1.59 0.58 -0.54 0.00 0.00 174.62 175.94 1weo h VAL 30 N -0.93 0.04 0.09 2.29 2.07 -1.95 0.90 116.25 118.75 1weo h VAL 30 Ca -0.46 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1weo h VAL 30 Cb 1.27 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1weo h VAL 30 CO 0.62 0.01 -0.05 -0.33 0.02 0.00 0.00 177.57 177.84 1weo h GLU 31 N 0.04 -0.12 0.00 1.57 4.39 -2.02 -3.48 114.58 114.95 1weo h GLU 31 Ca 0.84 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.55 1weo h GLU 31 Cb 2.31 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.99 1weo h GLU 31 CO -0.69 0.35 0.00 0.41 -1.16 0.00 0.00 179.01 177.92 1weo n GLY 32 N 1.07 0.34 3.78 -3.84 0.00 0.31 -5.15 105.19 101.71 1weo n GLY 32 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1weo n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1weo s ASP 33 N 0.00 5.08 0.21 1.61 1.01 -1.26 -4.41 116.67 118.91 1weo s ASP 33 Ca 0.00 1.87 -0.32 0.00 0.71 0.00 0.00 52.55 54.82 1weo s ASP 33 Cb 0.00 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.28 1weo s ASP 33 CO 0.00 -1.65 1.68 -0.22 0.21 0.00 0.00 175.17 175.20 1weo s LEU 34 N -5.18 4.37 -0.92 1.23 1.98 -1.26 -0.24 118.68 118.65 1weo s LEU 34 Ca 0.64 2.83 -0.25 0.00 -2.89 0.00 0.00 54.13 54.46 1weo s LEU 34 Cb -0.18 -3.60 -0.09 0.00 0.66 0.00 0.00 46.19 42.97 1weo s LEU 34 CO 0.46 -0.94 2.10 0.12 -1.89 0.00 0.00 176.35 176.20 1weo s PHE 35 N 1.06 1.58 -1.29 5.38 5.36 -1.25 -4.79 117.98 124.02 1weo s PHE 35 Ca 0.73 1.16 -0.18 0.00 -0.96 0.00 0.00 56.93 57.67 1weo s PHE 35 Cb -0.48 -3.80 0.05 0.00 -0.34 0.00 0.00 43.02 38.44 1weo s PHE 35 CO 0.33 -1.53 1.80 0.28 -1.46 0.00 0.00 175.22 174.64 1weo n VAL 36 N 8.24 3.64 -0.06 3.12 0.31 -1.26 -4.76 118.33 127.55 1weo n VAL 36 Ca 0.43 -3.74 -0.06 0.00 -0.01 0.00 0.00 64.34 60.96 1weo n VAL 36 Cb 0.46 -2.35 -0.04 0.00 -0.91 0.00 0.00 33.84 31.00 1weo n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1weo h ALA 37 N 7.73 -0.49 -3.84 3.52 0.00 -1.81 -3.41 119.26 120.96 1weo h ALA 37 Ca 0.43 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.65 1weo h ALA 37 Cb 0.86 0.89 -0.21 0.00 0.00 0.00 0.00 17.79 19.33 1weo h ALA 37 CO 1.47 -0.60 -0.74 0.00 0.00 0.00 0.00 179.25 179.37 1weo n ASN 39 N 1.96 3.25 -0.04 0.00 5.15 -1.26 -3.70 115.26 120.62 1weo n ASN 39 Ca -0.17 -0.04 -0.15 0.00 -0.60 0.00 0.00 54.58 53.63 1weo n ASN 39 Cb 0.52 0.04 -0.10 0.00 -0.53 0.00 0.00 39.78 39.72 1weo n ASN 39 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1weo h GLU 40 N 0.00 -0.51 0.03 1.20 4.57 -1.99 -3.29 114.58 114.60 1weo h GLU 40 Ca -0.21 0.03 -0.38 0.00 -1.18 0.00 0.00 59.36 57.62 1weo h GLU 40 Cb 1.36 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 30.00 1weo h GLU 40 CO -0.02 -0.34 -2.37 0.00 -1.18 0.00 0.00 179.01 175.10 1weo n GLY 42 N 2.20 0.80 3.68 0.00 0.00 -1.24 -5.08 105.19 105.55 1weo n GLY 42 Ca -0.43 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1weo n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1weo s PHE 43 N -1.73 3.45 -0.21 1.61 5.36 -1.26 -4.97 117.98 120.24 1weo s PHE 43 Ca 0.00 1.22 -0.29 0.00 -0.96 0.00 0.00 56.93 56.90 1weo s PHE 43 Cb 0.00 -2.94 -0.03 0.00 -0.34 0.00 0.00 43.02 39.71 1weo s PHE 43 CO 0.00 -0.15 1.60 -1.25 -1.46 0.00 0.00 175.22 173.96 1weo s PRO 44 N 1.80 3.84 -0.16 10.12 0.04 -1.26 -3.75 135.00 145.63 1weo s PRO 44 Ca 0.37 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 1weo s PRO 44 Cb -0.17 -4.02 0.07 0.00 0.04 0.00 0.00 34.50 30.42 1weo s PRO 44 CO 0.14 -1.24 0.18 0.00 0.04 0.00 0.00 177.00 176.11 1weo s ALA 45 N 5.05 -0.10 1.15 8.56 0.00 -1.26 -2.14 121.76 133.02 1weo s ALA 45 Ca 0.71 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 1weo s ALA 45 Cb -0.25 -1.10 0.23 0.00 0.00 0.00 0.00 23.12 21.99 1weo s ALA 45 CO 0.29 -0.99 0.51 0.00 0.00 0.00 0.00 175.76 175.56 1weo h ARG 47 N 0.00 -0.23 -0.36 0.00 2.43 -1.97 -1.96 114.38 112.29 1weo h ARG 47 Ca -0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1weo h ARG 47 Cb 0.78 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1weo h ARG 47 CO 0.14 0.13 0.00 -0.35 -1.51 0.00 0.00 179.97 178.38 1weo n PRO 48 N -5.02 0.49 0.00 0.20 -0.04 -1.26 -2.00 135.00 127.37 1weo n PRO 48 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1weo n PRO 48 Cb 0.24 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1weo n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1weo h TYR 50 N 0.00 0.34 -0.21 0.00 5.03 -1.14 -3.26 116.97 117.72 1weo h TYR 50 Ca 0.00 -0.24 0.05 0.00 2.58 0.00 0.00 58.73 61.11 1weo h TYR 50 Cb 0.68 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.90 1weo h TYR 50 CO 0.00 1.19 -0.10 0.93 -1.32 0.00 0.00 178.16 178.86 1weo h GLU 51 N -0.61 -0.07 -1.00 1.82 5.08 -1.65 -1.59 114.58 116.56 1weo h GLU 51 Ca -0.09 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.46 1weo h GLU 51 Cb 1.40 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 1weo h GLU 51 CO 0.09 -0.05 0.61 -0.92 -1.00 0.00 0.00 179.01 177.74 1weo h TYR 52 N -0.08 1.07 -0.70 4.33 3.20 -1.77 -0.21 116.97 122.81 1weo h TYR 52 Ca 0.11 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.16 1weo h TYR 52 Cb 0.25 -0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.09 1weo h TYR 52 CO -0.27 0.26 0.16 1.49 -1.64 0.00 0.00 178.16 178.16 1weo h GLU 53 N 0.79 0.26 0.07 1.82 4.57 -1.33 -0.56 114.58 120.20 1weo h GLU 53 Ca 0.57 -0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 58.47 1weo h GLU 53 Cb 0.84 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1weo h GLU 53 CO -0.37 0.17 -1.11 0.00 -1.18 0.00 0.00 179.01 176.52 1weo h ARG 54 N 0.27 0.48 0.00 1.92 3.08 -1.09 -0.54 114.38 118.50 1weo h ARG 54 Ca 0.38 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1weo h ARG 54 Cb 0.63 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1weo h ARG 54 CO -0.48 1.24 0.00 -2.13 -1.07 0.00 0.00 179.97 177.53 1weo n ARG 55 N -3.73 0.00 -0.03 0.04 0.63 -0.27 -4.46 116.66 108.83 1weo n ARG 55 Ca -0.10 0.36 -0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1weo n ARG 55 Cb 0.93 -1.26 -0.09 0.00 0.45 0.00 0.00 32.46 32.48 1weo n ARG 55 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1weo n GLU 56 N -1.44 1.36 0.00 -0.14 -0.58 -0.36 -5.02 120.64 114.46 1weo n GLU 56 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1weo n GLU 56 Cb 0.00 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1weo n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1weo n GLY 57 N 2.09 -2.66 1.07 0.62 0.00 -0.29 -4.91 105.19 101.11 1weo n GLY 57 Ca -0.11 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.10 1weo n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1weo n THR 58 N -1.82 1.49 -3.34 2.61 -2.24 -0.98 -4.75 114.28 105.25 1weo n THR 58 Ca 0.00 -1.22 -0.24 0.00 -2.27 0.00 0.00 64.05 60.32 1weo n THR 58 Cb 0.00 0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1weo n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1weo n GLN 59 N 0.66 -4.55 -4.23 -0.78 6.02 -0.74 -4.96 117.38 108.80 1weo n GLN 59 Ca 0.19 0.67 -0.22 0.00 -0.01 0.00 0.00 57.00 57.63 1weo n GLN 59 Cb 0.68 -5.49 -0.17 0.00 1.02 0.00 0.00 30.24 26.28 1weo n GLN 59 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1weo s ASN 60 N -2.84 1.37 0.22 1.08 0.01 -1.26 -3.25 114.94 110.27 1weo s ASN 60 Ca 0.42 -0.19 -0.32 0.00 -0.71 0.00 0.00 52.86 52.06 1weo s ASN 60 Cb -0.21 -0.60 -0.12 0.00 0.41 0.00 0.00 41.25 40.73 1weo s ASN 60 CO 0.52 -0.04 1.68 0.00 -1.51 0.00 0.00 177.10 177.75 1weo n PRO 62 N 3.55 0.49 -0.03 0.00 -0.04 -1.26 0.24 135.00 137.95 1weo n PRO 62 Ca 0.15 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 1weo n PRO 62 Cb 0.35 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1weo n PRO 62 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1weo n GLN 63 N -0.89 0.12 -0.00 0.54 7.27 -1.26 -4.84 117.38 118.32 1weo n GLN 63 Ca 0.09 0.04 0.01 0.00 0.07 0.00 0.00 57.00 57.21 1weo n GLN 63 Cb 0.04 -0.92 -0.01 0.00 2.41 0.00 0.00 30.24 31.76 1weo n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1weo n LYS 65 N -1.43 -5.57 -3.78 0.00 4.01 0.67 -4.84 118.16 107.21 1weo n LYS 65 Ca -0.00 0.68 -0.22 0.00 -0.51 0.00 0.00 58.31 58.26 1weo n LYS 65 Cb 0.03 -5.42 -0.02 0.00 -0.51 0.00 0.00 35.03 29.12 1weo n LYS 65 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1weo s THR 66 N -3.53 5.16 0.10 -0.18 2.01 -1.26 -4.53 115.64 113.41 1weo s THR 66 Ca 0.12 -0.85 -0.32 0.00 0.31 0.00 0.00 61.69 60.95 1weo s THR 66 Cb -0.06 -3.84 -0.12 0.00 0.01 0.00 0.00 72.50 68.50 1weo s THR 66 CO 0.79 -0.38 1.77 -2.11 -0.69 0.00 0.00 174.62 174.00 1weo n ARG 67 N -1.53 2.52 -1.23 4.92 1.85 -1.26 -3.55 116.66 118.38 1weo n ARG 67 Ca -0.07 0.92 -0.25 0.00 -1.00 0.00 0.00 57.85 57.44 1weo n ARG 67 Cb 0.57 -2.77 0.19 0.00 -1.05 0.00 0.00 32.46 29.40 1weo n ARG 67 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1weo n TYR 68 N 5.14 -3.87 -3.73 2.89 4.02 -1.20 -5.02 117.16 115.38 1weo n TYR 68 Ca 0.18 -0.91 -0.13 0.00 -0.01 0.00 0.00 57.90 57.03 1weo n TYR 68 Cb 0.34 -0.91 -0.10 0.00 -0.02 0.00 0.00 39.34 38.65 1weo n TYR 68 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1weo s LYS 69 N -5.26 0.54 0.04 -0.72 0.00 -1.26 -5.12 119.74 107.97 1weo s LYS 69 Ca 0.61 0.35 -0.30 0.00 0.00 0.00 0.00 55.97 56.64 1weo s LYS 69 Cb -0.04 0.26 -0.09 0.00 0.00 0.00 0.00 37.83 37.96 1weo s LYS 69 CO 0.45 -0.10 1.95 0.50 0.00 0.00 0.00 175.35 178.15 1weo s ARG 70 N -0.24 4.14 0.52 1.78 3.52 -1.26 -4.98 118.95 122.43 1weo s ARG 70 Ca -0.04 2.61 0.06 0.00 -0.13 0.00 0.00 55.73 58.23 1weo s ARG 70 Cb -0.03 -4.12 0.06 0.00 -1.56 0.00 0.00 34.95 29.30 1weo s ARG 70 CO 0.02 -0.95 0.49 1.28 -0.81 0.00 0.00 175.30 175.34 1weo n LEU 71 N 7.39 0.00 -0.28 -0.88 4.77 -1.14 -5.01 117.00 121.84 1weo n LEU 71 Ca 0.20 -2.54 0.04 0.00 -0.03 0.00 0.00 56.01 53.67 1weo n LEU 71 Cb 0.41 -0.15 0.25 0.00 -2.33 0.00 0.00 43.42 41.60 1weo n LEU 71 CO 0.68 -0.60 1.25 0.03 -1.33 0.00 0.00 177.39 177.41 1weo h ARG 72 N 0.00 0.97 0.00 3.23 2.47 -2.02 -3.32 114.38 115.71 1weo h ARG 72 Ca -0.30 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1weo h ARG 72 Cb 1.17 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 1weo h ARG 72 CO 0.46 0.64 -0.31 0.41 0.56 0.00 0.00 179.97 181.73 1weo n GLY 73 N -1.40 -0.78 3.53 0.04 0.00 -1.26 -4.84 105.19 100.47 1weo n GLY 73 Ca 0.13 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1weo n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1weo n SER 74 N -3.66 2.63 -4.77 1.61 3.41 -1.25 -4.93 113.62 106.66 1weo n SER 74 Ca -0.04 0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 58.47 1weo n SER 74 Cb 0.16 -1.42 0.08 0.00 -0.26 0.00 0.00 64.21 62.77 1weo n SER 74 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1weo s PRO 75 N 6.55 2.42 0.57 4.33 0.04 -1.26 -2.90 135.00 144.76 1weo s PRO 75 Ca 1.05 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 1weo s PRO 75 Cb -0.56 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 1weo s PRO 75 CO 0.40 -1.52 0.69 -2.13 0.04 0.00 0.00 177.00 174.48 1weo n ARG 76 N -3.18 0.66 -3.86 4.56 0.63 -1.26 -4.93 116.66 109.28 1weo n ARG 76 Ca 0.09 0.26 -0.15 0.00 -0.92 0.00 0.00 57.85 57.13 1weo n ARG 76 Cb 0.53 -1.87 -0.05 0.00 0.45 0.00 0.00 32.46 31.52 1weo n ARG 76 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1weo n VAL 77 N -1.66 0.00 -3.86 5.15 0.24 -1.26 -4.66 118.33 112.27 1weo n VAL 77 Ca 0.12 -1.87 -0.25 0.00 -2.04 0.00 0.00 64.34 60.30 1weo n VAL 77 Cb 0.47 1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 33.82 1weo n VAL 77 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1weo n GLU 78 N -0.54 -0.83 0.00 7.34 -0.58 -1.26 -3.75 120.64 121.02 1weo n GLU 78 Ca 0.04 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1weo n GLU 78 Cb 0.53 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.08 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1weo n GLY 79 N -2.06 0.17 3.47 0.62 0.00 -1.26 -5.15 105.19 100.98 1weo n GLY 79 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1weo n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1weo s ASP 80 N 0.00 3.78 -0.55 1.61 2.15 -1.25 -5.10 116.67 117.31 1weo s ASP 80 Ca 0.00 -0.59 -0.03 0.00 0.43 0.00 0.00 52.55 52.36 1weo s ASP 80 Cb 0.00 -0.48 0.14 0.00 -0.30 0.00 0.00 42.92 42.28 1weo s ASP 80 CO 0.00 0.18 0.36 -1.61 -0.17 0.00 0.00 175.17 173.93 1weo s GLU 81 N -2.11 2.38 -0.16 4.34 2.02 -1.26 -4.71 118.70 119.20 1weo s GLU 81 Ca 0.17 -2.29 -0.12 0.00 0.02 0.00 0.00 54.97 52.75 1weo s GLU 81 Cb -0.10 -3.69 -0.07 0.00 0.10 0.00 0.00 34.13 30.37 1weo s GLU 81 CO 0.09 -1.14 -0.27 -3.47 0.02 0.00 0.00 175.26 170.49 1weo n ASP 82 N 3.87 1.63 -4.61 -0.19 2.03 -1.26 -4.92 116.55 113.11 1weo n ASP 82 Ca 0.04 0.27 -0.43 0.00 0.52 0.00 0.00 54.79 55.20 1weo n ASP 82 Cb 0.39 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 1weo n ASP 82 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1weo s GLU 83 N -2.55 3.51 -0.16 -0.67 2.12 -1.26 -4.85 118.70 114.84 1weo s GLU 83 Ca -0.26 1.42 -0.03 0.00 0.36 0.00 0.00 54.97 56.46 1weo s GLU 83 Cb 0.07 -4.12 -0.23 0.00 0.26 0.00 0.00 34.13 30.11 1weo s GLU 83 CO 0.35 -1.64 0.18 -1.91 -0.54 0.00 0.00 175.26 171.71 1weo n GLU 84 N 8.15 0.72 -3.94 4.30 4.07 -1.26 -4.85 120.64 127.83 1weo n GLU 84 Ca 0.21 0.22 -0.35 0.00 -0.06 0.00 0.00 57.16 57.18 1weo n GLU 84 Cb 0.46 -1.65 -0.14 0.00 -0.06 0.00 0.00 31.44 30.05 1weo n GLU 84 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1weo s ASP 85 N -6.81 4.36 1.11 4.31 2.15 -1.26 -5.11 116.67 115.41 1weo s ASP 85 Ca -0.25 -0.80 -0.17 0.00 0.43 0.00 0.00 52.55 51.76 1weo s ASP 85 Cb 0.07 -1.69 0.17 0.00 -0.30 0.00 0.00 42.92 41.18 1weo s ASP 85 CO 0.72 -0.12 0.26 2.30 -0.17 0.00 0.00 175.17 178.16 1weo n ILE 86 N 4.70 0.00 -1.09 4.11 -0.00 -1.26 -4.88 119.36 120.94 1weo n ILE 86 Ca -0.17 -0.14 -0.35 0.00 -0.00 0.00 0.00 62.75 62.10 1weo n ILE 86 Cb 0.48 -0.59 0.10 0.00 -0.00 0.00 0.00 39.64 39.62 1weo n ILE 86 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1weo n ASP 87 N -1.94 -1.05 -0.13 7.28 2.03 -1.26 -4.97 116.55 116.51 1weo n ASP 87 Ca 0.05 0.51 -0.26 0.00 0.52 0.00 0.00 54.79 55.61 1weo n ASP 87 Cb 0.49 -1.27 -0.10 0.00 -0.72 0.00 0.00 41.12 39.51 1weo n ASP 87 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1weo n SER 88 N -1.17 1.94 -3.39 1.67 2.88 -1.26 -4.98 113.62 109.30 1weo n SER 88 Ca 0.10 0.19 -0.08 0.00 -1.33 0.00 0.00 58.87 57.75 1weo n SER 88 Cb 0.51 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 1weo n SER 88 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1weo s GLY 89 N -5.76 -0.46 0.58 0.46 0.00 -1.26 -5.15 107.32 95.73 1weo s GLY 89 Ca -0.36 1.13 -0.18 0.00 0.00 0.00 0.00 44.72 45.31 1weo s GLY 89 CO 0.50 2.69 1.12 2.56 0.00 0.00 0.00 173.10 179.97 1weo s PRO 90 N 2.59 3.17 -0.03 2.90 0.04 -1.26 -5.05 135.00 137.36 1weo s PRO 90 Ca 0.11 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1weo s PRO 90 Cb -0.15 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1weo s PRO 90 CO -0.16 -0.98 -0.16 0.45 0.04 0.00 0.00 177.00 176.20 1weo s SER 91 N -2.05 3.94 -0.70 6.66 0.15 -1.26 -5.06 113.70 115.38 1weo s SER 91 Ca 0.71 -0.25 -0.26 0.00 0.70 0.00 0.00 55.95 56.84 1weo s SER 91 Cb -0.23 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.30 1weo s SER 91 CO 0.32 0.33 1.73 -0.55 1.20 0.00 0.00 173.24 176.26 1weo s SER 92 N -0.88 5.50 0.00 5.45 0.15 -1.26 -5.32 113.70 117.34 1weo s SER 92 Ca 0.12 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1weo s SER 92 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1weo s SER 92 CO 0.02 -2.27 0.00 0.61 1.20 0.00 0.00 173.24 172.79