#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 -0.10 0.33 1.61 0.01 -1.26 -5.19 113.70 109.09 1weo s SER 2 Ca 0.00 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.53 1weo s SER 2 Cb 0.00 0.68 -0.06 0.00 0.21 0.00 0.00 66.02 66.85 1weo s SER 2 CO 0.00 -1.31 0.07 -0.94 0.41 0.00 0.00 173.24 171.47 1weo s SER 3 N -3.06 2.25 -0.21 2.44 1.04 -1.26 -5.17 113.70 109.73 1weo s SER 3 Ca 0.15 -1.41 -0.27 0.00 0.48 0.00 0.00 55.95 54.89 1weo s SER 3 Cb -0.04 0.02 0.10 0.00 0.10 0.00 0.00 66.02 66.20 1weo s SER 3 CO 0.07 -0.66 0.91 -0.83 0.98 0.00 0.00 173.24 173.71 1weo s GLY 4 N -3.48 -0.32 -0.28 7.32 0.00 -1.26 -5.17 107.32 104.13 1weo s GLY 4 Ca 0.35 2.18 -0.19 0.00 0.00 0.00 0.00 44.72 47.06 1weo s GLY 4 CO 0.15 1.48 0.84 -0.45 0.00 0.00 0.00 173.10 175.13 1weo s SER 5 N -0.29 -0.69 0.37 1.64 0.15 -1.26 -5.18 113.70 108.44 1weo s SER 5 Ca -0.01 1.18 0.04 0.00 0.70 0.00 0.00 55.95 57.85 1weo s SER 5 Cb -0.03 1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 65.48 1weo s SER 5 CO -0.00 -0.19 0.08 -0.44 1.20 0.00 0.00 173.24 173.88 1weo s SER 6 N 1.05 2.72 0.00 5.45 0.01 -1.26 -5.11 113.70 116.57 1weo s SER 6 Ca -0.05 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.70 1weo s SER 6 Cb -0.05 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1weo s SER 6 CO -0.12 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1weo n GLY 7 N -0.82 2.00 3.68 3.44 0.00 -1.26 -5.15 105.19 107.07 1weo n GLY 7 Ca -0.05 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1weo n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weo s PRO 8 N -0.26 0.44 0.38 1.61 0.04 -1.26 -4.96 135.00 130.99 1weo s PRO 8 Ca 0.00 0.53 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 1weo s PRO 8 Cb 0.00 -1.74 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 1weo s PRO 8 CO 0.00 -2.73 1.36 1.63 0.04 0.00 0.00 177.00 177.31 1weo n LYS 9 N -4.17 2.28 -1.82 4.56 4.76 -1.26 -4.96 118.16 117.55 1weo n LYS 9 Ca 0.05 0.80 -0.33 0.00 -2.87 0.00 0.00 58.31 55.96 1weo n LYS 9 Cb 0.57 -2.47 0.04 0.00 -1.84 0.00 0.00 35.03 31.33 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 -2.06 2.87 0.53 1.97 0.04 -1.26 -5.01 135.00 132.08 1weo s PRO 10 Ca 0.56 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 1weo s PRO 10 Cb -0.52 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 1weo s PRO 10 CO 0.62 -1.20 1.09 -1.17 0.04 0.00 0.00 177.00 176.38 1weo s LEU 11 N -4.73 3.74 -0.51 -3.56 2.96 -1.26 -4.89 118.68 110.42 1weo s LEU 11 Ca 0.68 2.03 -0.26 0.00 -0.22 0.00 0.00 54.13 56.36 1weo s LEU 11 Cb -0.21 -4.57 -0.08 0.00 0.50 0.00 0.00 46.19 41.84 1weo s LEU 11 CO 0.40 -1.07 2.43 1.17 -1.32 0.00 0.00 176.35 177.95 1weo n LYS 12 N -1.32 1.01 -3.82 1.98 3.00 -1.26 -4.84 118.16 112.91 1weo n LYS 12 Ca 0.10 0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.33 1weo n LYS 12 Cb 0.52 -3.35 0.02 0.00 0.00 0.00 0.00 35.03 32.22 1weo n LYS 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1weo s ASN 13 N 12.01 0.11 -1.36 3.14 4.22 -1.26 -4.98 114.94 126.81 1weo s ASN 13 Ca 1.00 -1.23 -0.02 0.00 -2.14 0.00 0.00 52.86 50.47 1weo s ASN 13 Cb -0.23 0.85 -0.00 0.00 1.28 0.00 0.00 41.25 43.15 1weo s ASN 13 CO 0.27 -1.70 0.51 0.18 -2.04 0.00 0.00 177.10 174.32 1weo n LEU 14 N -0.54 -2.48 -0.30 3.54 4.77 -1.26 -4.85 117.00 115.88 1weo n LEU 14 Ca -0.08 -0.96 -0.08 0.00 -0.03 0.00 0.00 56.01 54.86 1weo n LEU 14 Cb 0.60 -2.34 -0.04 0.00 -2.33 0.00 0.00 43.42 39.31 1weo n LEU 14 CO 0.28 0.43 0.55 0.44 -1.33 0.00 0.00 177.39 177.76 1weo h ASP 15 N -1.85 -1.68 0.00 -1.43 3.32 -1.99 -3.46 116.42 109.34 1weo h ASP 15 Ca -0.63 0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1weo h ASP 15 Cb 1.37 0.78 0.00 0.00 0.22 0.00 0.00 39.33 41.70 1weo h ASP 15 CO 0.60 -0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.43 1weo n GLY 16 N -1.38 0.75 0.37 2.75 0.00 -1.26 -4.98 105.19 101.44 1weo n GLY 16 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1weo n GLY 16 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1weo h GLN 17 N 0.00 0.00 -6.42 1.61 4.20 -1.96 -3.40 115.11 109.14 1weo h GLN 17 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1weo h GLN 17 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1weo h GLN 17 CO 0.00 0.00 0.92 -0.06 -0.67 0.00 0.00 178.83 179.02 1weo s PHE 18 N -4.20 2.65 0.58 2.96 0.40 -1.26 -3.22 117.98 115.89 1weo s PHE 18 Ca -0.03 0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 56.69 1weo s PHE 18 Cb 0.08 -3.82 -0.08 0.00 0.51 0.00 0.00 43.02 39.71 1weo s PHE 18 CO 0.27 -3.19 0.54 0.00 0.70 0.00 0.00 175.22 173.54 1weo n GLU 20 N -0.13 0.59 -0.07 0.00 -0.58 -0.52 -3.06 120.64 116.87 1weo n GLU 20 Ca 0.12 0.14 -0.09 0.00 -0.42 0.00 0.00 57.16 56.91 1weo n GLU 20 Cb 0.48 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 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 -0.04 0.00 0.04 -3.67 2.04 -1.93 -3.30 117.51 110.64 1weo h ILE 21 Ca -0.54 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 64.94 1weo h ILE 21 Cb 1.81 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1weo h ILE 21 CO -0.10 0.00 -2.28 0.00 0.00 0.00 0.00 178.15 175.78 1weo n GLY 23 N 2.00 3.01 3.01 0.00 0.00 -1.17 -5.09 105.19 106.95 1weo n GLY 23 Ca -0.42 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 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 -5.33 -4.66 1.61 2.03 -1.26 -3.86 116.55 105.08 1weo n ASP 24 Ca 0.00 0.15 -0.41 0.00 0.52 0.00 0.00 54.79 55.04 1weo n ASP 24 Cb 0.00 -0.72 -0.04 0.00 -0.72 0.00 0.00 41.12 39.63 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1weo s GLN 25 N -2.05 4.26 -0.07 -0.67 0.74 -1.26 -0.44 119.66 120.17 1weo s GLN 25 Ca 0.40 0.94 -0.30 0.00 0.05 0.00 0.00 55.36 56.46 1weo s GLN 25 Cb -0.12 -3.59 -0.06 0.00 1.10 0.00 0.00 33.01 30.34 1weo s GLN 25 CO 0.79 -0.35 1.79 0.42 -0.55 0.00 0.00 175.29 177.40 1weo s ILE 26 N 2.24 3.38 0.00 -2.34 1.01 -1.20 -4.82 121.20 119.47 1weo s ILE 26 Ca 0.36 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1weo s ILE 26 Cb -0.16 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1weo s ILE 26 CO 0.11 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1weo n GLY 27 N 4.48 -2.74 3.65 6.18 0.00 -1.26 -4.76 105.19 110.74 1weo n GLY 27 Ca 0.19 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 2.62 0.00 0.99 1.43 -1.26 -3.33 118.68 119.12 1weo s LEU 28 Ca 0.00 -1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 51.59 1weo s LEU 28 Cb 0.00 -0.79 0.09 0.00 0.03 0.00 0.00 46.19 45.52 1weo s LEU 28 CO 0.00 -0.61 0.57 0.35 0.23 0.00 0.00 176.35 176.89 1weo n THR 29 N -1.05 0.00 0.25 5.49 -2.24 0.15 -4.53 114.28 112.35 1weo n THR 29 Ca -0.10 -0.66 0.10 0.00 -2.27 0.00 0.00 64.05 61.13 1weo n THR 29 Cb 0.67 -1.40 0.66 0.00 -2.10 0.00 0.00 70.33 68.16 1weo n THR 29 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1weo h VAL 30 N -0.87 0.77 0.00 2.28 2.07 -2.00 -3.15 116.25 115.36 1weo h VAL 30 Ca -0.19 -0.52 -0.25 0.00 0.82 0.00 0.00 66.70 66.57 1weo h VAL 30 Cb 0.60 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1weo h VAL 30 CO 0.17 0.13 -1.34 -0.62 0.02 0.00 0.00 177.57 175.92 1weo n GLU 31 N -3.91 0.57 0.00 1.57 -0.58 -1.26 -5.02 120.64 112.00 1weo n GLU 31 Ca -0.02 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1weo n GLU 31 Cb 0.23 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1weo n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1weo n GLY 32 N 1.43 0.90 3.60 0.62 0.00 -1.19 -5.15 105.19 105.41 1weo n GLY 32 Ca -0.33 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.01 -4.69 1.61 8.00 -1.26 -4.18 116.55 116.02 1weo n ASP 33 Ca 0.00 0.52 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 1weo n ASP 33 Cb 0.00 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 39.67 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 -3.92 4.37 -0.75 0.64 1.98 -1.26 0.33 118.68 120.06 1weo s LEU 34 Ca 0.68 2.55 -0.24 0.00 -2.89 0.00 0.00 54.13 54.23 1weo s LEU 34 Cb -0.28 -3.56 -0.16 0.00 0.66 0.00 0.00 46.19 42.85 1weo s LEU 34 CO 0.56 -0.92 2.42 0.33 -1.89 0.00 0.00 176.35 176.86 1weo n PHE 35 N 5.67 0.97 -2.92 5.38 7.35 -1.21 -4.75 117.46 127.94 1weo n PHE 35 Ca 0.16 0.10 -0.44 0.00 -0.76 0.00 0.00 57.45 56.51 1weo n PHE 35 Cb 0.40 -2.25 0.00 0.00 0.35 0.00 0.00 39.48 37.98 1weo n PHE 35 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1weo n VAL 36 N 7.79 4.26 -0.14 -2.13 0.31 -1.26 -4.77 118.33 122.38 1weo n VAL 36 Ca 0.50 -4.71 -0.07 0.00 -0.01 0.00 0.00 64.34 60.05 1weo n VAL 36 Cb 0.36 -2.46 -0.05 0.00 -0.91 0.00 0.00 33.84 30.77 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 7.06 -0.45 -3.20 3.52 0.00 -1.82 -3.40 119.26 120.97 1weo h ALA 37 Ca 0.32 0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.60 1weo h ALA 37 Cb 0.86 1.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.59 1weo h ALA 37 CO 1.26 -0.63 -0.60 0.00 0.00 0.00 0.00 179.25 179.29 1weo n ASN 39 N 1.48 3.89 -0.15 0.00 2.85 -1.26 -3.95 115.26 118.12 1weo n ASN 39 Ca -0.15 -0.01 -0.12 0.00 -0.11 0.00 0.00 54.58 54.20 1weo n ASN 39 Cb 0.53 -0.01 -0.07 0.00 1.24 0.00 0.00 39.78 41.47 1weo n ASN 39 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1weo h GLU 40 N 0.00 -0.33 0.02 1.20 4.22 -1.98 -3.25 114.58 114.46 1weo h GLU 40 Ca -0.04 0.02 -0.39 0.00 0.08 0.00 0.00 59.36 59.04 1weo h GLU 40 Cb 1.06 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1weo h GLU 40 CO -0.01 -0.22 -2.41 0.00 -2.18 0.00 0.00 179.01 174.19 1weo n GLY 42 N 2.21 1.81 3.66 0.00 0.00 -1.23 -5.06 105.19 106.58 1weo n GLY 42 Ca -0.44 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 2.62 -0.36 1.61 5.36 -1.26 -4.95 117.98 119.00 1weo s PHE 43 Ca 0.00 0.81 -0.28 0.00 -0.96 0.00 0.00 56.93 56.49 1weo s PHE 43 Cb 0.00 -3.63 -0.01 0.00 -0.34 0.00 0.00 43.02 39.04 1weo s PHE 43 CO 0.00 -2.21 1.70 -1.25 -1.46 0.00 0.00 175.22 172.01 1weo s PRO 44 N 3.70 3.37 -0.11 10.12 0.04 -1.26 -3.64 135.00 147.21 1weo s PRO 44 Ca 0.59 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 1weo s PRO 44 Cb -0.24 -4.16 0.04 0.00 0.04 0.00 0.00 34.50 30.18 1weo s PRO 44 CO 0.19 -1.82 0.05 0.00 0.04 0.00 0.00 177.00 175.46 1weo s ALA 45 N 6.60 0.53 1.03 8.56 0.00 -1.26 -1.44 121.76 135.78 1weo s ALA 45 Ca 0.75 -0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 1weo s ALA 45 Cb -0.20 -0.87 0.13 0.00 0.00 0.00 0.00 23.12 22.19 1weo s ALA 45 CO 0.33 -0.81 0.30 0.00 0.00 0.00 0.00 175.76 175.59 1weo h ARG 47 N 0.00 -0.23 -0.01 0.00 2.43 -1.96 -2.27 114.38 112.33 1weo h ARG 47 Ca -0.14 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1weo h ARG 47 Cb 0.47 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1weo h ARG 47 CO 0.08 0.14 0.00 -0.35 -1.51 0.00 0.00 179.97 178.34 1weo n PRO 48 N -5.01 0.49 -0.03 0.20 -0.04 -1.26 -1.85 135.00 127.50 1weo n PRO 48 Ca -0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 1weo n PRO 48 Cb 0.25 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.32 -0.32 0.00 5.03 -1.16 -3.21 116.97 117.64 1weo h TYR 50 Ca -0.14 -0.23 0.06 0.00 2.58 0.00 0.00 58.73 60.99 1weo h TYR 50 Cb 1.22 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 1weo h TYR 50 CO 0.01 1.28 -0.00 0.93 -1.32 0.00 0.00 178.16 179.05 1weo h GLU 51 N -0.60 0.08 -0.41 1.82 5.08 -1.62 -2.31 114.58 116.63 1weo h GLU 51 Ca -0.15 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1weo h GLU 51 Cb 1.44 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 1weo h GLU 51 CO 0.06 0.06 0.12 -0.92 -1.00 0.00 0.00 179.01 177.32 1weo h TYR 52 N 0.09 0.20 -1.37 4.33 3.20 -1.78 0.54 116.97 122.18 1weo h TYR 52 Ca 0.15 0.02 0.41 0.00 3.14 0.00 0.00 58.73 62.45 1weo h TYR 52 Cb 0.21 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.36 1weo h TYR 52 CO -0.23 0.06 0.94 1.49 -1.64 0.00 0.00 178.16 178.78 1weo h GLU 53 N 0.26 0.10 0.08 1.82 4.57 -1.41 0.26 114.58 120.27 1weo h GLU 53 Ca 0.19 -0.01 -0.36 0.00 -1.18 0.00 0.00 59.36 58.01 1weo h GLU 53 Cb 0.20 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1weo h GLU 53 CO -0.22 0.06 -2.04 0.54 -1.18 0.00 0.00 179.01 176.18 1weo n ARG 54 N -4.38 0.72 0.10 1.92 1.74 -0.44 -0.34 116.66 115.99 1weo n ARG 54 Ca 0.33 0.24 -0.09 0.00 -0.77 0.00 0.00 57.85 57.57 1weo n ARG 54 Cb 1.41 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 31.11 1weo n ARG 54 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1weo h ARG 55 N 0.05 -0.43 0.00 5.56 2.43 0.16 -3.39 114.38 118.75 1weo h ARG 55 Ca -0.43 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1weo h ARG 55 Cb 2.02 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1weo h ARG 55 CO 0.06 -0.29 -0.81 0.39 -1.51 0.00 0.00 179.97 177.81 1weo n GLU 56 N -3.96 1.12 0.00 0.20 -0.58 -0.53 -4.75 120.64 112.14 1weo n GLU 56 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1weo n GLU 56 Cb 0.22 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 2.08 -2.88 0.88 0.62 0.00 -0.63 -4.91 105.19 100.35 1weo n GLY 57 Ca 0.00 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.76 0.61 -3.20 2.61 -2.24 -0.85 -4.78 114.28 105.67 1weo n THR 58 Ca 0.00 -0.81 -0.23 0.00 -2.27 0.00 0.00 64.05 60.74 1weo n THR 58 Cb 0.00 0.83 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -4.81 -3.71 -0.78 6.02 0.54 -4.97 117.38 110.71 1weo n GLN 59 Ca 0.15 0.78 -0.18 0.00 -0.01 0.00 0.00 57.00 57.74 1weo n GLN 59 Cb 0.49 -5.62 -0.17 0.00 1.02 0.00 0.00 30.24 25.95 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 -2.79 0.73 0.00 1.08 0.01 -1.26 -3.57 114.94 109.14 1weo s ASN 60 Ca 0.37 0.08 -0.37 0.00 -0.71 0.00 0.00 52.86 52.23 1weo s ASN 60 Cb -0.17 -0.10 -0.15 0.00 0.41 0.00 0.00 41.25 41.24 1weo s ASN 60 CO 0.46 -0.21 1.54 0.00 -1.51 0.00 0.00 177.10 177.39 1weo n PRO 62 N 3.83 0.49 -0.03 0.00 -0.04 -1.26 0.23 135.00 138.21 1weo n PRO 62 Ca 0.20 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1weo n PRO 62 Cb 0.21 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.83 0.15 -0.00 0.54 7.27 -1.26 -4.84 117.38 118.40 1weo n GLN 63 Ca 0.08 0.05 0.01 0.00 0.07 0.00 0.00 57.00 57.21 1weo n GLN 63 Cb 0.04 -0.89 -0.01 0.00 2.41 0.00 0.00 30.24 31.78 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 -6.52 -3.65 0.00 4.01 0.61 -4.87 118.16 106.31 1weo n LYS 65 Ca -0.00 0.80 -0.35 0.00 -0.51 0.00 0.00 58.31 58.25 1weo n LYS 65 Cb 0.04 -5.74 -0.05 0.00 -0.51 0.00 0.00 35.03 28.76 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 -3.40 5.17 0.11 -0.18 2.01 -1.26 -4.57 115.64 113.52 1weo s THR 66 Ca 0.12 0.34 -0.36 0.00 0.31 0.00 0.00 61.69 62.10 1weo s THR 66 Cb -0.05 -3.62 -0.16 0.00 0.01 0.00 0.00 72.50 68.67 1weo s THR 66 CO 0.75 0.31 1.30 -2.11 -0.69 0.00 0.00 174.62 174.18 1weo n ARG 67 N 0.96 1.19 -3.21 4.92 1.85 -1.26 -3.66 116.66 117.44 1weo n ARG 67 Ca -0.09 0.43 -0.22 0.00 -1.00 0.00 0.00 57.85 56.97 1weo n ARG 67 Cb 0.52 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 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 0.32 3.21 0.39 2.89 1.51 -1.23 -5.00 117.35 119.44 1weo s TYR 68 Ca 0.81 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 57.00 1weo s TYR 68 Cb -0.92 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 38.75 1weo s TYR 68 CO 0.48 -0.18 0.16 -1.59 -1.11 0.00 0.00 175.55 173.30 1weo s LYS 69 N -4.39 1.88 -0.76 -0.62 0.00 -1.26 -5.09 119.74 109.50 1weo s LYS 69 Ca 0.46 -2.14 -0.24 0.00 0.00 0.00 0.00 55.97 54.05 1weo s LYS 69 Cb -0.10 -0.42 0.06 0.00 0.00 0.00 0.00 37.83 37.37 1weo s LYS 69 CO 0.35 -0.51 1.17 0.50 0.00 0.00 0.00 175.35 176.86 1weo s ARG 70 N -3.67 3.24 0.94 1.78 3.52 -1.26 -4.99 118.95 118.50 1weo s ARG 70 Ca 0.27 -0.68 -0.16 0.00 -0.13 0.00 0.00 55.73 55.03 1weo s ARG 70 Cb 0.03 -4.39 0.23 0.00 -1.56 0.00 0.00 34.95 29.26 1weo s ARG 70 CO 0.17 -2.00 0.86 1.28 -0.81 0.00 0.00 175.30 174.80 1weo n LEU 71 N 8.48 0.00 -0.10 -0.88 4.77 -1.25 -4.93 117.00 123.08 1weo n LEU 71 Ca 0.05 -0.92 -0.05 0.00 -0.03 0.00 0.00 56.01 55.07 1weo n LEU 71 Cb 0.48 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1weo n LEU 71 CO 0.66 -1.86 0.86 0.03 -1.33 0.00 0.00 177.39 175.75 1weo h ARG 72 N 0.00 0.11 0.00 3.23 -0.00 -2.02 -3.29 114.38 112.41 1weo h ARG 72 Ca -0.32 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.98 59.01 1weo h ARG 72 Cb 0.97 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.89 1weo h ARG 72 CO 0.21 0.07 -0.94 0.78 0.00 0.00 0.00 179.97 180.09 1weo h GLY 73 N 0.11 0.00 -6.38 0.04 0.00 -2.01 -3.46 103.07 91.38 1weo h GLY 73 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.05 1weo h GLY 73 CO -0.28 0.00 1.60 1.44 0.00 0.00 0.00 176.54 179.30 1weo n SER 74 N -4.51 0.27 -2.59 0.19 7.64 -1.24 -4.87 113.62 108.51 1weo n SER 74 Ca -0.23 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1weo n SER 74 Cb 0.53 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1weo n SER 74 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1weo n PRO 75 N 7.74 -0.87 -2.19 1.43 -0.04 -1.26 -3.92 135.00 135.89 1weo n PRO 75 Ca 0.60 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.69 1weo n PRO 75 Cb 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 1weo n PRO 75 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1weo s ARG 76 N -2.76 3.55 0.30 0.54 3.52 -1.26 -4.94 118.95 117.90 1weo s ARG 76 Ca 0.00 1.79 -0.04 0.00 -0.13 0.00 0.00 55.73 57.35 1weo s ARG 76 Cb 0.00 -2.27 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1weo s ARG 76 CO 0.00 -0.73 0.43 0.14 -0.81 0.00 0.00 175.30 174.33 1weo s VAL 77 N -1.57 0.00 -1.09 7.11 -7.23 -1.26 -4.99 120.40 111.37 1weo s VAL 77 Ca 0.67 -1.61 -0.22 0.00 -1.81 0.00 0.00 61.98 59.01 1weo s VAL 77 Cb -0.29 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 1weo s VAL 77 CO 0.34 0.00 1.76 -1.61 -0.31 0.00 0.00 175.10 175.28 1weo s GLU 78 N -3.41 3.16 0.00 4.82 2.02 -1.26 -3.50 118.70 120.52 1weo s GLU 78 Ca 0.30 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1weo s GLU 78 Cb 0.01 -5.30 0.00 0.00 0.10 0.00 0.00 34.13 28.94 1weo s GLU 78 CO 0.17 -2.94 0.00 0.41 0.02 0.00 0.00 175.26 172.92 1weo n GLY 79 N 6.29 0.02 0.27 -1.39 0.00 -1.26 -4.98 105.19 104.14 1weo n GLY 79 Ca 0.41 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.63 1weo n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1weo n ASP 80 N -0.40 0.15 -3.64 1.61 2.03 -1.23 -4.39 116.55 110.68 1weo n ASP 80 Ca 0.00 1.35 -0.06 0.00 0.52 0.00 0.00 54.79 56.60 1weo n ASP 80 Cb 0.00 -0.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.73 1weo n ASP 80 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1weo s GLU 81 N -5.40 0.56 0.47 -0.67 2.56 -1.26 -5.18 118.70 109.78 1weo s GLU 81 Ca -0.08 0.90 0.04 0.00 0.00 0.00 0.00 54.97 55.83 1weo s GLU 81 Cb 0.26 0.15 -0.04 0.00 2.00 0.00 0.00 34.13 36.51 1weo s GLU 81 CO 0.63 -0.11 0.04 -0.51 -0.56 0.00 0.00 175.26 174.75 1weo s ASP 82 N 1.22 4.09 -0.05 -1.70 1.01 -1.26 -5.01 116.67 114.95 1weo s ASP 82 Ca -0.07 -1.49 -0.02 0.00 0.71 0.00 0.00 52.55 51.68 1weo s ASP 82 Cb -0.04 0.10 -0.06 0.00 1.01 0.00 0.00 42.92 43.93 1weo s ASP 82 CO -0.14 -0.70 2.57 1.21 0.21 0.00 0.00 175.17 178.32 1weo n GLU 83 N -1.18 1.47 -3.04 8.23 2.13 -1.26 -4.63 120.64 122.37 1weo n GLU 83 Ca -0.12 -0.60 -0.13 0.00 0.66 0.00 0.00 57.16 56.98 1weo n GLU 83 Cb 0.67 -1.44 0.05 0.00 0.27 0.00 0.00 31.44 30.99 1weo n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1weo n GLU 84 N 1.68 -4.58 -3.19 5.31 4.07 -1.26 -4.96 120.64 117.71 1weo n GLU 84 Ca 0.19 0.53 -0.45 0.00 -0.06 0.00 0.00 57.16 57.37 1weo n GLU 84 Cb 0.65 -4.62 -0.01 0.00 -0.06 0.00 0.00 31.44 27.39 1weo n GLU 84 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1weo s ASP 85 N -3.55 6.93 -0.56 4.31 1.11 -1.26 -4.99 116.67 118.66 1weo s ASP 85 Ca 0.18 -2.83 -0.17 0.00 0.18 0.00 0.00 52.55 49.90 1weo s ASP 85 Cb -0.08 -2.28 0.12 0.00 1.07 0.00 0.00 42.92 41.75 1weo s ASP 85 CO 0.46 -0.63 0.59 -0.63 1.18 0.00 0.00 175.17 176.14 1weo s ILE 86 N 0.54 5.02 -0.25 0.77 -1.09 -1.26 -4.99 121.20 119.94 1weo s ILE 86 Ca 0.28 -1.24 -0.28 0.00 -2.23 0.00 0.00 60.65 57.18 1weo s ILE 86 Cb -0.08 -4.41 0.17 0.00 -1.58 0.00 0.00 42.46 36.56 1weo s ILE 86 CO -0.08 -0.98 1.25 -0.62 -1.23 0.00 0.00 174.94 173.28 1weo s ASP 87 N 3.58 -0.17 0.28 3.58 -1.08 -1.26 -5.18 116.67 116.43 1weo s ASP 87 Ca 0.07 0.23 0.01 0.00 -0.52 0.00 0.00 52.55 52.34 1weo s ASP 87 Cb -0.27 0.20 -0.04 0.00 -1.46 0.00 0.00 42.92 41.36 1weo s ASP 87 CO 0.05 -0.12 0.47 -0.44 0.52 0.00 0.00 175.17 175.64 1weo s SER 88 N -0.70 6.33 -0.09 -0.34 0.01 -1.26 -5.10 113.70 112.55 1weo s SER 88 Ca 0.05 0.37 -0.03 0.00 1.31 0.00 0.00 55.95 57.65 1weo s SER 88 Cb -0.02 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 1weo s SER 88 CO -0.07 -0.18 0.04 -0.83 0.41 0.00 0.00 173.24 172.61 1weo s GLY 89 N -3.76 1.93 -0.36 3.44 0.00 -1.26 -5.06 107.32 102.25 1weo s GLY 89 Ca 0.38 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 44.04 1weo s GLY 89 CO 0.32 -0.54 1.70 2.56 0.00 0.00 0.00 173.10 177.14 1weo s PRO 90 N -0.98 3.38 0.03 2.90 0.04 -1.26 -4.90 135.00 134.21 1weo s PRO 90 Ca 0.14 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 1weo s PRO 90 Cb -0.11 -4.16 -0.17 0.00 0.04 0.00 0.00 34.50 30.10 1weo s PRO 90 CO 0.03 -1.80 1.41 0.77 0.04 0.00 0.00 177.00 177.45 1weo h SER 91 N 12.36 -0.24 -5.97 6.66 0.02 -2.07 -3.47 113.55 120.85 1weo h SER 91 Ca -0.32 -0.18 -0.41 0.00 -0.84 0.00 0.00 61.79 60.04 1weo h SER 91 Cb 1.15 0.06 0.09 0.00 0.14 0.00 0.00 62.40 63.84 1weo h SER 91 CO 1.05 0.05 -0.73 -1.20 -1.14 0.00 0.00 176.83 174.86 1weo n SER 92 N -5.10 -4.85 0.00 3.07 7.64 -1.26 -5.35 113.62 107.78 1weo n SER 92 Ca -0.09 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1weo n SER 92 Cb 0.21 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 1weo n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64