#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 -0.19 0.19 1.61 0.01 -1.26 -5.19 113.70 108.87 1weo s SER 2 Ca 0.00 -0.18 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 1weo s SER 2 Cb 0.00 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.61 1weo s SER 2 CO 0.00 -0.58 0.84 -0.94 0.41 0.00 0.00 173.24 172.97 1weo s SER 3 N -2.72 -0.25 0.04 2.44 1.04 -1.26 -5.19 113.70 107.80 1weo s SER 3 Ca 0.11 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1weo s SER 3 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1weo s SER 3 CO -0.03 -1.05 -0.00 -0.83 0.98 0.00 0.00 173.24 172.31 1weo s GLY 4 N -2.88 0.34 -0.01 7.32 0.00 -1.26 -5.17 107.32 105.66 1weo s GLY 4 Ca 0.10 -0.90 -0.15 0.00 0.00 0.00 0.00 44.72 43.77 1weo s GLY 4 CO 0.02 -1.01 0.32 -0.56 0.00 0.00 0.00 173.10 171.87 1weo s SER 5 N -2.37 -0.20 0.46 1.64 0.01 -1.26 -5.17 113.70 106.80 1weo s SER 5 Ca -0.02 0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.40 1weo s SER 5 Cb 0.01 0.32 0.02 0.00 0.21 0.00 0.00 66.02 66.57 1weo s SER 5 CO -0.07 -0.45 0.63 -0.44 0.41 0.00 0.00 173.24 173.32 1weo s SER 6 N -1.34 5.56 0.00 2.44 0.01 -1.26 -5.09 113.70 114.03 1weo s SER 6 Ca -0.13 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1weo s SER 6 Cb -0.05 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1weo s SER 6 CO 0.04 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1weo n GLY 7 N -1.99 1.54 0.00 3.44 0.00 -1.26 -4.97 105.19 101.94 1weo n GLY 7 Ca 0.07 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1weo n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1weo n PRO 8 N 0.00 0.49 -1.03 1.61 -0.04 -1.26 -4.89 135.00 129.88 1weo n PRO 8 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1weo n PRO 8 Cb 0.00 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 1weo n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1weo n LYS 9 N -0.85 0.00 -1.11 0.54 4.76 -1.26 -4.90 118.16 115.34 1weo n LYS 9 Ca 0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.23 1weo n LYS 9 Cb 0.04 -0.93 0.22 0.00 -1.84 0.00 0.00 35.03 32.51 1weo n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1weo s PRO 10 N -0.23 -0.73 0.20 1.97 0.04 -1.26 -5.07 135.00 129.92 1weo s PRO 10 Ca 0.57 0.11 0.08 0.00 0.04 0.00 0.00 61.00 61.80 1weo s PRO 10 Cb -0.81 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1weo s PRO 10 CO 0.40 -3.42 -0.00 -1.17 0.04 0.00 0.00 177.00 172.84 1weo s LEU 11 N -6.80 3.27 -0.09 -3.56 2.96 -1.26 -5.13 118.68 108.07 1weo s LEU 11 Ca 0.69 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1weo s LEU 11 Cb -0.13 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1weo s LEU 11 CO 0.57 0.07 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.80 1weo s LYS 12 N -3.13 2.99 -0.49 1.98 2.47 -1.26 -5.09 119.74 117.21 1weo s LYS 12 Ca 0.28 -0.65 -0.20 0.00 -1.56 0.00 0.00 55.97 53.85 1weo s LYS 12 Cb -0.09 -2.56 0.05 0.00 -1.46 0.00 0.00 37.83 33.77 1weo s LYS 12 CO 0.19 0.45 0.65 -0.80 0.16 0.00 0.00 175.35 175.99 1weo s ASN 13 N -0.25 6.25 -0.27 1.43 0.01 -1.26 -4.93 114.94 115.93 1weo s ASN 13 Ca 0.02 -0.71 -0.01 0.00 -0.71 0.00 0.00 52.86 51.45 1weo s ASN 13 Cb -0.13 -2.31 0.19 0.00 0.41 0.00 0.00 41.25 39.42 1weo s ASN 13 CO 0.03 -0.88 1.97 0.18 -1.51 0.00 0.00 177.10 176.89 1weo n LEU 14 N 6.28 6.19 -0.33 0.60 7.99 -1.26 -4.68 117.00 131.79 1weo n LEU 14 Ca -0.05 -3.12 -0.09 0.00 -0.01 0.00 0.00 56.01 52.74 1weo n LEU 14 Cb 0.46 -1.04 -0.08 0.00 -0.11 0.00 0.00 43.42 42.65 1weo n LEU 14 CO 0.54 1.16 0.48 0.44 -1.51 0.00 0.00 177.39 178.51 1weo h ASP 15 N 1.33 -1.78 0.00 -1.43 3.32 -2.00 -3.46 116.42 112.40 1weo h ASP 15 Ca 0.25 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1weo h ASP 15 Cb 0.99 0.78 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1weo h ASP 15 CO 0.64 -0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 1weo n GLY 16 N -1.22 4.00 0.59 2.75 0.00 -1.26 -4.97 105.19 105.08 1weo n GLY 16 Ca 0.01 -0.61 0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.90 1.61 6.02 -1.26 -4.27 117.38 117.58 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 -0.06 -1.01 0.00 0.00 177.06 175.99 1weo s PHE 18 N -4.51 2.04 0.70 1.08 0.40 -1.26 -3.17 117.98 113.25 1weo s PHE 18 Ca -0.04 0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.24 1weo s PHE 18 Cb 0.22 -4.01 -0.07 0.00 0.51 0.00 0.00 43.02 39.67 1weo s PHE 18 CO 0.72 -4.21 0.33 0.00 0.70 0.00 0.00 175.22 172.76 1weo n GLU 20 N -0.10 0.66 0.03 0.00 -0.58 -0.25 -3.33 120.64 117.08 1weo n GLU 20 Ca 0.09 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.81 1weo n GLU 20 Cb 0.50 -1.42 -0.07 0.00 -0.57 0.00 0.00 31.44 29.87 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 0.00 0.00 0.00 -3.67 2.04 -1.93 -3.35 117.51 110.60 1weo h ILE 21 Ca -0.47 0.00 -0.44 0.00 1.00 0.00 0.00 64.86 64.95 1weo h ILE 21 Cb 1.78 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1weo h ILE 21 CO -0.06 0.00 -2.53 0.00 0.00 0.00 0.00 178.15 175.56 1weo n GLY 23 N 1.56 3.90 2.47 0.00 0.00 -1.21 -5.08 105.19 106.83 1weo n GLY 23 Ca -0.52 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1weo n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1weo n ASP 24 N 0.00 -1.93 -4.61 1.61 8.00 -1.26 -3.56 116.55 114.80 1weo n ASP 24 Ca 0.00 0.65 -0.43 0.00 0.71 0.00 0.00 54.79 55.72 1weo n ASP 24 Cb 0.00 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 40.41 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1weo s GLN 25 N -0.74 3.66 -0.20 -1.24 0.74 -1.26 -1.31 119.66 119.31 1weo s GLN 25 Ca 0.45 1.14 -0.36 0.00 0.05 0.00 0.00 55.36 56.64 1weo s GLN 25 Cb -0.51 -4.01 -0.12 0.00 1.10 0.00 0.00 33.01 29.47 1weo s GLN 25 CO 0.46 -1.45 1.93 -0.89 -0.55 0.00 0.00 175.29 174.79 1weo n ILE 26 N 6.82 0.42 0.00 -2.34 5.41 -1.19 -4.86 119.36 123.62 1weo n ILE 26 Ca 0.17 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1weo n ILE 26 Cb 0.47 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 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 4.88 -1.62 3.71 7.39 0.00 -1.26 -4.85 105.19 113.44 1weo n GLY 27 Ca 0.28 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 3.14 0.72 0.99 1.43 -1.26 -3.85 118.68 119.85 1weo s LEU 28 Ca 0.00 -0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 52.10 1weo s LEU 28 Cb 0.00 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1weo s LEU 28 CO 0.00 -0.36 1.03 0.42 0.23 0.00 0.00 176.35 177.67 1weo s THR 29 N -2.51 2.24 0.34 5.49 -4.23 0.48 -4.74 115.64 112.71 1weo s THR 29 Ca 0.38 -0.26 0.14 0.00 -1.18 0.00 0.00 61.69 60.77 1weo s THR 29 Cb 0.00 -2.98 0.33 0.00 1.34 0.00 0.00 72.50 71.19 1weo s THR 29 CO 0.22 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.53 1weo h VAL 30 N -0.66 0.26 0.08 2.29 2.07 -2.01 -0.18 116.25 118.11 1weo h VAL 30 Ca -0.44 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1weo h VAL 30 Cb 1.31 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1weo h VAL 30 CO 0.59 0.05 -0.56 -0.33 0.02 0.00 0.00 177.57 177.34 1weo h GLU 31 N 0.27 0.17 0.00 1.57 4.39 -2.04 -3.48 114.58 115.45 1weo h GLU 31 Ca 0.73 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1weo h GLU 31 Cb 1.67 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 1weo h GLU 31 CO -0.64 1.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.76 1weo n GLY 32 N 1.64 1.13 3.50 -3.84 0.00 -0.08 -5.14 105.19 102.39 1weo n GLY 32 Ca -0.14 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1weo n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1weo n ASP 33 N 0.00 -1.23 -4.69 1.61 8.00 -1.26 -3.93 116.55 115.04 1weo n ASP 33 Ca 0.00 0.40 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 1weo n ASP 33 Cb 0.00 -1.29 -0.03 0.00 -0.02 0.00 0.00 41.12 39.78 1weo n ASP 33 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1weo s LEU 34 N -2.49 4.38 -0.79 0.64 1.98 -1.26 -0.39 118.68 120.74 1weo s LEU 34 Ca 0.61 2.60 -0.26 0.00 -2.89 0.00 0.00 54.13 54.20 1weo s LEU 34 Cb -0.24 -3.57 -0.10 0.00 0.66 0.00 0.00 46.19 42.95 1weo s LEU 34 CO 0.63 -0.92 2.23 0.12 -1.89 0.00 0.00 176.35 176.52 1weo s PHE 35 N 2.49 1.38 -0.99 5.38 5.36 -1.25 -4.81 117.98 125.54 1weo s PHE 35 Ca 0.76 1.45 -0.21 0.00 -0.96 0.00 0.00 56.93 57.96 1weo s PHE 35 Cb -0.42 -3.68 0.08 0.00 -0.34 0.00 0.00 43.02 38.66 1weo s PHE 35 CO 0.33 -1.75 1.33 0.08 -1.46 0.00 0.00 175.22 173.75 1weo s VAL 36 N 12.73 4.25 0.19 3.12 1.01 -1.26 -4.77 120.40 135.68 1weo s VAL 36 Ca 0.84 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1weo s VAL 36 Cb -0.11 -4.95 0.11 0.00 0.00 0.00 0.00 36.38 31.43 1weo s VAL 36 CO 0.07 -1.77 1.75 0.00 0.00 0.00 0.00 175.10 175.16 1weo h ALA 37 N 9.36 0.69 -3.56 5.51 0.00 -1.81 -3.43 119.26 126.03 1weo h ALA 37 Ca 0.19 0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.71 1weo h ALA 37 Cb 1.01 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.61 1weo h ALA 37 CO 1.30 -0.18 -0.79 0.00 0.00 0.00 0.00 179.25 179.58 1weo n ASN 39 N 1.40 2.59 -0.25 0.00 2.85 -1.26 -4.15 115.26 116.43 1weo n ASN 39 Ca -0.20 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.14 1weo n ASN 39 Cb 0.54 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.46 1weo n ASN 39 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1weo h GLU 40 N 0.00 -0.23 0.04 1.20 4.39 -2.00 -3.13 114.58 114.85 1weo h GLU 40 Ca 0.00 0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.35 1weo h GLU 40 Cb 0.82 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 1weo h GLU 40 CO 0.00 -0.15 -2.22 0.00 -1.16 0.00 0.00 179.01 175.48 1weo n GLY 42 N 2.02 1.19 3.64 0.00 0.00 -1.19 -5.07 105.19 105.78 1weo n GLY 42 Ca -0.36 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.06 3.27 -0.40 1.61 5.36 -1.26 -4.99 117.98 119.50 1weo s PHE 43 Ca 0.00 1.12 -0.28 0.00 -0.96 0.00 0.00 56.93 56.81 1weo s PHE 43 Cb 0.00 -3.19 -0.01 0.00 -0.34 0.00 0.00 43.02 39.47 1weo s PHE 43 CO 0.00 -0.49 1.73 -1.25 -1.46 0.00 0.00 175.22 173.75 1weo s PRO 44 N 3.02 3.24 -0.15 10.12 0.04 -1.26 -3.66 135.00 146.35 1weo s PRO 44 Ca 0.37 1.16 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1weo s PRO 44 Cb -0.15 -4.20 0.04 0.00 0.04 0.00 0.00 34.50 30.24 1weo s PRO 44 CO 0.09 -1.97 -0.02 0.00 0.04 0.00 0.00 177.00 175.14 1weo s ALA 45 N 7.03 1.17 1.19 8.56 0.00 -1.26 -1.09 121.76 137.36 1weo s ALA 45 Ca 0.73 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 1weo s ALA 45 Cb -0.19 -1.04 0.25 0.00 0.00 0.00 0.00 23.12 22.15 1weo s ALA 45 CO 0.31 -0.79 0.57 0.00 0.00 0.00 0.00 175.76 175.85 1weo h ARG 47 N 0.00 -0.19 -0.15 0.00 2.43 -1.98 -2.00 114.38 112.50 1weo h ARG 47 Ca -0.26 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1weo h ARG 47 Cb 0.88 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1weo h ARG 47 CO 0.16 0.14 0.00 -0.35 -1.51 0.00 0.00 179.97 178.41 1weo n PRO 48 N -5.02 0.49 -0.00 0.20 -0.04 -1.26 -2.14 135.00 127.23 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 0.22 -1.08 -0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.05 -0.06 0.00 5.03 -1.17 -3.24 116.97 117.59 1weo h TYR 50 Ca -0.01 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.31 1weo h TYR 50 Cb 1.01 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.24 1weo h TYR 50 CO 0.00 0.88 -0.23 0.93 -1.32 0.00 0.00 178.16 178.42 1weo h GLU 51 N -0.79 -0.32 -1.04 1.82 3.07 -1.68 -0.97 114.58 114.68 1weo h GLU 51 Ca -0.01 0.02 0.27 0.00 -0.50 0.00 0.00 59.36 59.15 1weo h GLU 51 Cb 0.89 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 28.80 1weo h GLU 51 CO 0.01 -0.21 0.69 -0.92 -1.40 0.00 0.00 179.01 177.18 1weo h TYR 52 N -0.33 0.51 -0.74 4.33 3.20 -1.77 0.21 116.97 122.38 1weo h TYR 52 Ca 0.08 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1weo h TYR 52 Cb 0.44 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1weo h TYR 52 CO -0.30 0.05 0.41 1.49 -1.64 0.00 0.00 178.16 178.18 1weo h GLU 53 N 0.31 0.71 0.05 1.82 4.57 -1.19 0.17 114.58 121.02 1weo h GLU 53 Ca 0.57 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 58.48 1weo h GLU 53 Cb 1.61 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 30.02 1weo h GLU 53 CO -0.23 0.47 -1.08 0.00 -1.18 0.00 0.00 179.01 177.00 1weo h ARG 54 N 0.74 0.10 0.03 1.92 3.08 -0.63 -1.23 114.38 118.38 1weo h ARG 54 Ca 0.34 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1weo h ARG 54 Cb 0.25 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1weo h ARG 54 CO -0.21 1.08 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.66 1weo h ARG 55 N 0.03 -0.03 0.00 0.04 1.12 -0.42 -3.42 114.38 111.69 1weo h ARG 55 Ca -0.05 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.53 1weo h ARG 55 Cb 1.83 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 31.75 1weo h ARG 55 CO 0.16 -0.02 -2.10 0.39 -3.11 0.00 0.00 179.97 175.29 1weo n GLU 56 N -2.13 0.94 0.00 0.20 1.02 0.36 -5.00 120.64 116.03 1weo n GLU 56 Ca -0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1weo n GLU 56 Cb 0.01 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1weo n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1weo n GLY 57 N 2.32 -2.44 1.29 0.62 0.00 0.10 -4.90 105.19 102.19 1weo n GLY 57 Ca -0.31 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.30 2.62 -4.22 2.61 -2.24 -1.00 -4.70 114.28 105.05 1weo n THR 58 Ca 0.00 -2.51 -0.37 0.00 -2.27 0.00 0.00 64.05 58.91 1weo n THR 58 Cb 0.00 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.03 -2.90 -3.76 -0.78 6.02 -0.71 -4.93 117.38 109.30 1weo n GLN 59 Ca 0.35 0.35 -0.24 0.00 -0.01 0.00 0.00 57.00 57.46 1weo n GLN 59 Cb 1.11 -5.07 -0.17 0.00 1.02 0.00 0.00 30.24 27.13 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 -3.24 1.77 0.13 1.08 0.01 -1.26 -3.11 114.94 110.31 1weo s ASN 60 Ca 0.75 -0.19 -0.35 0.00 -0.71 0.00 0.00 52.86 52.35 1weo s ASN 60 Cb -0.41 -0.45 -0.16 0.00 0.41 0.00 0.00 41.25 40.65 1weo s ASN 60 CO 0.92 -0.21 1.39 0.00 -1.51 0.00 0.00 177.10 177.68 1weo n PRO 62 N 2.64 0.48 -0.01 0.00 -0.04 -1.26 0.25 135.00 137.08 1weo n PRO 62 Ca 0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1weo n PRO 62 Cb 0.23 -1.29 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.79 0.03 0.00 0.54 7.27 -1.26 -4.85 117.38 118.31 1weo n GLN 63 Ca 0.07 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1weo n GLN 63 Cb 0.03 -0.99 0.00 0.00 2.41 0.00 0.00 30.24 31.69 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 -1.12 -5.73 -3.80 0.00 4.01 0.71 -4.83 118.16 107.40 1weo n LYS 65 Ca 0.00 0.72 -0.34 0.00 -0.51 0.00 0.00 58.31 58.17 1weo n LYS 65 Cb 0.00 -5.49 -0.05 0.00 -0.51 0.00 0.00 35.03 28.98 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 -3.52 5.34 0.05 -0.18 2.01 -1.26 -4.49 115.64 113.59 1weo s THR 66 Ca 0.06 0.08 -0.38 0.00 0.31 0.00 0.00 61.69 61.76 1weo s THR 66 Cb -0.03 -3.55 -0.17 0.00 0.01 0.00 0.00 72.50 68.76 1weo s THR 66 CO 0.78 0.36 1.32 -2.11 -0.69 0.00 0.00 174.62 174.28 1weo n ARG 67 N 1.09 0.94 -1.91 4.92 1.85 -1.26 -3.62 116.66 118.67 1weo n ARG 67 Ca -0.11 0.34 -0.30 0.00 -1.00 0.00 0.00 57.85 56.78 1weo n ARG 67 Cb 0.53 -1.96 0.18 0.00 -1.05 0.00 0.00 32.46 30.16 1weo n ARG 67 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1weo s TYR 68 N 0.59 1.74 -0.08 2.89 1.51 -1.18 -5.00 117.35 117.81 1weo s TYR 68 Ca 0.87 0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 57.23 1weo s TYR 68 Cb -1.02 -4.04 0.02 0.00 -0.11 0.00 0.00 41.96 36.82 1weo s TYR 68 CO 0.50 -2.57 0.22 -1.59 -1.11 0.00 0.00 175.55 171.00 1weo s LYS 69 N -5.85 0.25 -0.27 -0.62 0.00 -1.26 -5.06 119.74 106.93 1weo s LYS 69 Ca 0.73 0.33 -0.37 0.00 0.00 0.00 0.00 55.97 56.66 1weo s LYS 69 Cb -0.05 0.09 -0.13 0.00 0.00 0.00 0.00 37.83 37.75 1weo s LYS 69 CO 0.53 -0.05 1.97 -2.13 0.00 0.00 0.00 175.35 175.67 1weo n ARG 70 N 3.12 1.36 -2.59 1.78 0.63 -1.26 -4.95 116.66 114.75 1weo n ARG 70 Ca -0.14 0.46 -0.16 0.00 -0.92 0.00 0.00 57.85 57.09 1weo n ARG 70 Cb 0.58 -2.39 0.05 0.00 0.45 0.00 0.00 32.46 31.15 1weo n ARG 70 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1weo n LEU 71 N 7.63 0.00 -0.13 6.15 4.77 -1.24 -5.01 117.00 129.18 1weo n LEU 71 Ca 0.32 -1.99 -0.04 0.00 -0.03 0.00 0.00 56.01 54.27 1weo n LEU 71 Cb 0.21 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1weo n LEU 71 CO 0.77 -0.66 0.85 0.03 -1.33 0.00 0.00 177.39 177.05 1weo h ARG 72 N 0.00 0.11 0.00 3.23 -0.00 -2.02 -3.34 114.38 112.37 1weo h ARG 72 Ca -0.22 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 1weo h ARG 72 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.93 1weo h ARG 72 CO 0.31 0.07 -0.05 0.78 0.00 0.00 0.00 179.97 181.09 1weo h GLY 73 N 0.12 0.00 -5.86 0.04 0.00 -2.00 -3.45 103.07 91.92 1weo h GLY 73 Ca 0.21 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.07 1weo h GLY 73 CO -0.34 0.00 1.40 -1.14 0.00 0.00 0.00 176.54 176.46 1weo n SER 74 N -2.53 0.32 -3.52 0.19 3.41 -1.25 -4.86 113.62 105.37 1weo n SER 74 Ca -0.01 0.24 -0.29 0.00 -0.26 0.00 0.00 58.87 58.55 1weo n SER 74 Cb 0.02 -0.77 0.24 0.00 -0.26 0.00 0.00 64.21 63.45 1weo n SER 74 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1weo n PRO 75 N 6.94 -3.10 -1.73 4.33 -0.04 -1.26 -3.59 135.00 136.55 1weo n PRO 75 Ca 0.53 -1.70 -0.38 0.00 -0.04 0.00 0.00 63.50 61.91 1weo n PRO 75 Cb 0.01 -1.59 0.05 0.00 -0.04 0.00 0.00 33.50 31.93 1weo n PRO 75 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1weo n ARG 76 N -4.75 1.45 -3.64 0.54 0.63 -1.26 -4.93 116.66 104.69 1weo n ARG 76 Ca 0.15 0.54 -0.13 0.00 -0.92 0.00 0.00 57.85 57.49 1weo n ARG 76 Cb 0.57 -2.53 -0.03 0.00 0.45 0.00 0.00 32.46 30.91 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 -1.37 0.00 -0.83 5.15 0.24 -1.26 -5.03 118.33 115.23 1weo n VAL 77 Ca 0.12 -1.60 -0.08 0.00 -2.04 0.00 0.00 64.34 60.75 1weo n VAL 77 Cb 0.46 0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.49 1.62 -2.29 7.34 1.02 -1.26 -3.62 120.64 122.96 1weo n GLU 78 Ca 0.02 -0.70 -0.01 0.00 -0.02 0.00 0.00 57.16 56.44 1weo n GLU 78 Cb 0.49 -1.60 0.09 0.00 -0.02 0.00 0.00 31.44 30.40 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1weo n GLY 79 N 1.95 1.02 3.31 0.62 0.00 -1.26 -5.15 105.19 105.68 1weo n GLY 79 Ca 0.26 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.75 1.16 -0.28 1.61 2.15 -1.24 -4.97 116.67 114.36 1weo s ASP 80 Ca 0.06 -1.41 0.10 0.00 0.43 0.00 0.00 52.55 51.74 1weo s ASP 80 Cb 0.30 0.21 0.51 0.00 -0.30 0.00 0.00 42.92 43.64 1weo s ASP 80 CO -0.09 -0.76 1.47 1.21 -0.17 0.00 0.00 175.17 176.83 1weo n GLU 81 N -0.47 2.02 -4.65 4.34 2.13 -1.26 -4.99 120.64 117.76 1weo n GLU 81 Ca 0.00 -3.12 -0.32 0.00 0.66 0.00 0.00 57.16 54.38 1weo n GLU 81 Cb 0.66 -1.83 -0.12 0.00 0.27 0.00 0.00 31.44 30.42 1weo n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1weo s ASP 82 N -2.40 4.27 -0.04 4.31 1.11 -1.26 -5.13 116.67 117.54 1weo s ASP 82 Ca 0.44 -0.20 0.05 0.00 0.18 0.00 0.00 52.55 53.03 1weo s ASP 82 Cb 0.40 -0.92 -0.02 0.00 1.07 0.00 0.00 42.92 43.44 1weo s ASP 82 CO 0.02 0.31 -0.19 -1.61 1.18 0.00 0.00 175.17 174.87 1weo s GLU 83 N -1.13 2.34 -0.22 8.23 0.41 -1.26 -5.02 118.70 122.05 1weo s GLU 83 Ca 0.14 -0.79 -0.26 0.00 -0.41 0.00 0.00 54.97 53.65 1weo s GLU 83 Cb -0.11 -2.24 0.07 0.00 -1.78 0.00 0.00 34.13 30.07 1weo s GLU 83 CO 0.04 0.60 0.69 -2.00 -0.49 0.00 0.00 175.26 174.10 1weo s GLU 84 N -0.68 0.86 -0.03 1.61 2.56 -1.26 -5.13 118.70 116.64 1weo s GLU 84 Ca 0.11 0.81 -0.30 0.00 0.00 0.00 0.00 54.97 55.59 1weo s GLU 84 Cb -0.10 0.42 -0.06 0.00 2.00 0.00 0.00 34.13 36.39 1weo s GLU 84 CO -0.00 -0.15 1.59 -0.51 -0.56 0.00 0.00 175.26 175.63 1weo s ASP 85 N 0.03 6.70 0.96 -1.70 1.11 -1.26 -5.00 116.67 117.52 1weo s ASP 85 Ca -0.02 2.23 -0.15 0.00 0.18 0.00 0.00 52.55 54.78 1weo s ASP 85 Cb -0.04 -2.54 0.18 0.00 1.07 0.00 0.00 42.92 41.59 1weo s ASP 85 CO 0.03 -0.88 1.22 0.27 1.18 0.00 0.00 175.17 176.99 1weo s ILE 86 N 3.51 1.93 -0.01 0.77 -4.36 -1.26 -4.90 121.20 116.88 1weo s ILE 86 Ca 0.71 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 61.06 1weo s ILE 86 Cb -0.33 -2.86 -0.15 0.00 1.25 0.00 0.00 42.46 40.37 1weo s ILE 86 CO 0.29 0.00 2.94 -0.90 0.24 0.00 0.00 174.94 177.51 1weo n ASP 87 N -3.85 5.33 -4.07 4.36 5.68 -1.26 -4.73 116.55 118.01 1weo n ASP 87 Ca 0.11 -2.47 -0.34 0.00 -0.50 0.00 0.00 54.79 51.59 1weo n ASP 87 Cb 0.60 -1.30 -0.07 0.00 -1.14 0.00 0.00 41.12 39.21 1weo n ASP 87 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1weo n SER 88 N 2.04 -1.03 -3.73 -1.12 2.88 -1.26 -4.87 113.62 106.53 1weo n SER 88 Ca 0.26 -1.06 -0.13 0.00 -1.33 0.00 0.00 58.87 56.60 1weo n SER 88 Cb 0.74 -1.35 -0.10 0.00 -0.75 0.00 0.00 64.21 62.75 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 -3.19 -0.30 1.06 0.46 0.00 -1.26 -5.17 107.32 98.92 1weo s GLY 89 Ca 0.55 1.07 -0.14 0.00 0.00 0.00 0.00 44.72 46.21 1weo s GLY 89 CO 0.87 0.90 1.10 2.56 0.00 0.00 0.00 173.10 178.53 1weo s PRO 90 N 0.01 -0.06 -0.65 2.90 0.04 -1.26 -5.01 135.00 130.98 1weo s PRO 90 Ca -0.02 0.35 -0.08 0.00 0.04 0.00 0.00 61.00 61.29 1weo s PRO 90 Cb -0.03 -1.70 0.17 0.00 0.04 0.00 0.00 34.50 32.98 1weo s PRO 90 CO 0.01 -3.02 0.52 -1.54 0.04 0.00 0.00 177.00 173.01 1weo s SER 91 N -3.56 5.84 0.78 6.66 1.04 -1.26 -5.07 113.70 118.14 1weo s SER 91 Ca 0.67 -2.55 -0.17 0.00 0.48 0.00 0.00 55.95 54.38 1weo s SER 91 Cb -0.17 -2.01 -0.11 0.00 0.10 0.00 0.00 66.02 63.83 1weo s SER 91 CO 0.57 -0.52 -0.20 -0.24 0.98 0.00 0.00 173.24 173.83 1weo n SER 92 N 4.02 -3.93 0.00 7.02 2.88 -1.26 -5.31 113.62 117.04 1weo n SER 92 Ca 0.05 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1weo n SER 92 Cb 0.41 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1weo n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42