#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 0.07 0.00 1.61 1.04 -1.26 -5.09 113.70 110.07 1weo s SER 2 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1weo s SER 2 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1weo s SER 2 CO 0.00 -0.93 0.00 -0.24 0.98 0.00 0.00 173.24 173.05 1weo n SER 3 N -0.27 1.02 0.00 7.02 2.88 -1.26 -5.11 113.62 117.90 1weo n SER 3 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1weo n SER 3 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1weo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1weo n GLY 4 N 3.06 -0.88 3.47 0.46 0.00 -1.26 -5.13 105.19 104.91 1weo n GLY 4 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.93 3.60 0.54 1.61 0.15 -1.26 -5.13 113.70 110.28 1weo s SER 5 Ca 0.00 -1.01 -0.17 0.00 0.70 0.00 0.00 55.95 55.47 1weo s SER 5 Cb 0.00 -0.31 -0.06 0.00 -1.71 0.00 0.00 66.02 63.94 1weo s SER 5 CO 0.00 0.04 1.03 -0.44 1.20 0.00 0.00 173.24 175.08 1weo s SER 6 N -3.46 6.16 0.02 5.45 0.01 -1.26 -4.89 113.70 115.73 1weo s SER 6 Ca 0.29 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1weo s SER 6 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1weo s SER 6 CO 0.15 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1weo n GLY 7 N -0.87 -1.56 0.00 3.44 0.00 -1.26 -4.87 105.19 100.07 1weo n GLY 7 Ca 0.08 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.71 0.00 -1.62 1.61 -0.04 -1.26 -4.81 135.00 127.17 1weo n PRO 8 Ca -0.00 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.98 1weo n PRO 8 Cb 0.03 -0.23 -0.04 0.00 -0.04 0.00 0.00 33.50 33.22 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 0.00 1.59 -2.07 0.54 4.76 -1.26 -4.93 118.16 116.80 1weo n LYS 9 Ca 0.00 0.57 -0.34 0.00 -2.87 0.00 0.00 58.31 55.67 1weo n LYS 9 Cb 0.00 -2.22 0.02 0.00 -1.84 0.00 0.00 35.03 30.99 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 0.20 3.14 0.12 1.97 0.04 -1.26 -4.99 135.00 134.23 1weo s PRO 10 Ca 0.77 1.53 0.02 0.00 0.04 0.00 0.00 61.00 63.35 1weo s PRO 10 Cb -0.80 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1weo s PRO 10 CO 0.46 -1.00 0.25 -1.17 0.04 0.00 0.00 177.00 175.58 1weo s LEU 11 N -4.21 4.30 -0.39 -3.56 2.96 -1.26 -4.97 118.68 111.55 1weo s LEU 11 Ca 0.71 0.18 -0.32 0.00 -0.22 0.00 0.00 54.13 54.48 1weo s LEU 11 Cb -0.23 -2.89 -0.14 0.00 0.50 0.00 0.00 46.19 43.43 1weo s LEU 11 CO 0.32 0.10 1.61 0.29 -1.32 0.00 0.00 176.35 177.35 1weo n LYS 12 N -0.23 0.00 -3.64 1.98 4.76 -1.26 -4.82 118.16 114.96 1weo n LYS 12 Ca -0.06 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.38 1weo n LYS 12 Cb 0.53 -1.11 -0.01 0.00 -1.84 0.00 0.00 35.03 32.60 1weo n LYS 12 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1weo s ASN 13 N 4.57 -0.08 -1.47 4.39 2.47 -1.26 -4.99 114.94 118.57 1weo s ASN 13 Ca 0.90 -0.17 -0.11 0.00 0.42 0.00 0.00 52.86 53.90 1weo s ASN 13 Cb -1.10 0.21 0.07 0.00 -1.45 0.00 0.00 41.25 38.97 1weo s ASN 13 CO 0.48 -0.38 0.82 0.18 -3.72 0.00 0.00 177.10 174.48 1weo n LEU 14 N -0.47 -2.39 0.07 3.21 4.77 -1.26 -4.88 117.00 116.05 1weo n LEU 14 Ca -0.08 -0.59 -0.21 0.00 -0.03 0.00 0.00 56.01 55.10 1weo n LEU 14 Cb 0.62 -2.56 -0.13 0.00 -2.33 0.00 0.00 43.42 39.02 1weo n LEU 14 CO 0.12 0.37 -0.01 -2.24 -1.33 0.00 0.00 177.39 174.30 1weo h ASP 15 N -1.76 0.74 0.00 -1.43 2.03 -1.98 -3.49 116.42 110.54 1weo h ASP 15 Ca -0.54 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 54.92 1weo h ASP 15 Cb 1.35 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1weo h ASP 15 CO 0.62 1.52 0.00 0.61 -1.03 0.00 0.00 179.24 180.96 1weo n GLY 16 N 1.42 1.43 0.65 7.15 0.00 -1.26 -4.97 105.19 109.60 1weo n GLY 16 Ca -0.14 -0.03 0.47 0.00 0.00 0.00 0.00 46.02 46.32 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 -6.24 1.61 1.08 -1.96 -3.39 115.11 106.20 1weo h GLN 17 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1weo h GLN 17 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1weo h GLN 17 CO 0.00 0.00 1.24 1.19 -0.95 0.00 0.00 178.83 180.31 1weo n PHE 18 N -4.02 2.31 -1.34 2.96 3.01 -1.26 -3.44 117.46 115.67 1weo n PHE 18 Ca 0.38 -0.17 -0.38 0.00 1.01 0.00 0.00 57.45 58.29 1weo n PHE 18 Cb 1.75 -2.73 0.03 0.00 -0.01 0.00 0.00 39.48 38.53 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 0.52 0.59 -0.03 0.00 -0.58 0.56 -3.34 120.64 118.36 1weo n GLU 20 Ca 0.10 0.12 -0.07 0.00 -0.42 0.00 0.00 57.16 56.89 1weo n GLU 20 Cb 0.48 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 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 0.01 -3.67 2.04 -1.93 -3.34 117.51 110.62 1weo h ILE 21 Ca -0.50 0.00 -0.40 0.00 1.00 0.00 0.00 64.86 64.96 1weo h ILE 21 Cb 1.79 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 1weo h ILE 21 CO -0.07 0.00 -2.27 0.00 0.00 0.00 0.00 178.15 175.81 1weo n GLY 23 N 1.62 3.96 2.42 0.00 0.00 -1.21 -5.09 105.19 106.89 1weo n GLY 23 Ca -0.47 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.66 -4.63 1.61 9.92 -1.26 -3.66 116.55 115.87 1weo n ASP 24 Ca 0.00 0.50 -0.43 0.00 -0.53 0.00 0.00 54.79 54.33 1weo n ASP 24 Cb 0.00 -0.63 -0.02 0.00 -0.64 0.00 0.00 41.12 39.83 1weo n ASP 24 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1weo s GLN 25 N -0.74 3.94 -0.73 -1.24 0.74 -1.26 -1.08 119.66 119.29 1weo s GLN 25 Ca 0.42 1.00 -0.26 0.00 0.05 0.00 0.00 55.36 56.58 1weo s GLN 25 Cb -0.38 -3.82 -0.15 0.00 1.10 0.00 0.00 33.01 29.76 1weo s GLN 25 CO 0.49 -1.08 2.47 -0.89 -0.55 0.00 0.00 175.29 175.72 1weo n ILE 26 N 6.20 -0.04 0.00 -2.34 5.41 -1.22 -4.86 119.36 122.51 1weo n ILE 26 Ca 0.13 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1weo n ILE 26 Cb 0.47 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 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 6.23 -3.02 3.72 7.39 0.00 -1.26 -4.71 105.19 113.54 1weo n GLY 27 Ca 0.49 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 3.49 0.00 0.99 1.43 -1.26 -3.57 118.68 119.75 1weo s LEU 28 Ca 0.00 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.48 1weo s LEU 28 Cb 0.00 -2.05 0.32 0.00 0.03 0.00 0.00 46.19 44.49 1weo s LEU 28 CO 0.00 0.01 1.00 0.35 0.23 0.00 0.00 176.35 177.94 1weo n THR 29 N -0.78 0.00 0.27 5.49 -2.24 0.34 -4.80 114.28 112.56 1weo n THR 29 Ca -0.08 -0.34 0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1weo n THR 29 Cb 0.57 -1.16 0.74 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.95 0.67 0.00 2.28 2.07 -2.00 -3.12 116.25 113.21 1weo h VAL 30 Ca -0.39 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 66.59 1weo h VAL 30 Cb 1.24 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1weo h VAL 30 CO 0.25 0.09 -0.97 -0.33 0.02 0.00 0.00 177.57 176.63 1weo h GLU 31 N 0.00 0.00 0.00 1.57 5.08 -2.03 -3.49 114.58 115.71 1weo h GLU 31 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1weo h GLU 31 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1weo h GLU 31 CO 0.01 0.79 0.00 0.41 -1.00 0.00 0.00 179.01 179.22 1weo n GLY 32 N 1.49 0.61 3.69 -3.84 0.00 -1.18 -5.15 105.19 100.82 1weo n GLY 32 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 3.44 0.24 1.61 1.11 -1.26 -4.34 116.67 117.46 1weo s ASP 33 Ca 0.00 2.29 -0.31 0.00 0.18 0.00 0.00 52.55 54.71 1weo s ASP 33 Cb 0.00 -2.58 -0.11 0.00 1.07 0.00 0.00 42.92 41.30 1weo s ASP 33 CO 0.00 -2.77 1.59 -0.22 1.18 0.00 0.00 175.17 174.96 1weo s LEU 34 N -5.97 4.36 -0.67 1.23 1.98 -1.26 -0.51 118.68 117.85 1weo s LEU 34 Ca 0.71 2.81 -0.26 0.00 -2.89 0.00 0.00 54.13 54.50 1weo s LEU 34 Cb -0.26 -3.61 0.04 0.00 0.66 0.00 0.00 46.19 43.01 1weo s LEU 34 CO 0.53 -0.87 1.14 0.12 -1.89 0.00 0.00 176.35 175.37 1weo s PHE 35 N 0.54 2.50 -0.67 5.38 5.36 -1.23 -4.74 117.98 125.12 1weo s PHE 35 Ca 0.67 -0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 56.48 1weo s PHE 35 Cb -0.46 -4.45 0.17 0.00 -0.34 0.00 0.00 43.02 37.94 1weo s PHE 35 CO 0.39 -1.80 0.51 0.54 -1.46 0.00 0.00 175.22 173.40 1weo s VAL 36 N 4.95 4.14 0.09 3.12 0.11 -1.26 -4.85 120.40 126.70 1weo s VAL 36 Ca 0.32 -2.83 -0.17 0.00 -2.93 0.00 0.00 61.98 56.37 1weo s VAL 36 Cb -0.11 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1weo s VAL 36 CO 0.16 -0.91 1.26 0.00 -3.33 0.00 0.00 175.10 172.28 1weo n ALA 37 N 3.62 -0.36 -3.12 1.54 0.00 -1.24 -4.31 120.51 116.63 1weo n ALA 37 Ca 0.09 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 1weo n ALA 37 Cb 0.40 0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 1weo n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1weo n ASN 39 N 3.52 2.02 -0.15 0.00 5.15 -1.26 -3.15 115.26 121.39 1weo n ASN 39 Ca -0.18 -0.06 -0.09 0.00 -0.60 0.00 0.00 54.58 53.65 1weo n ASN 39 Cb 0.53 0.20 -0.04 0.00 -0.53 0.00 0.00 39.78 39.94 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 -0.28 0.05 1.20 4.57 -1.96 -3.20 114.58 114.95 1weo h GLU 40 Ca -0.41 0.02 -0.38 0.00 -1.18 0.00 0.00 59.36 57.41 1weo h GLU 40 Cb 1.77 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 30.37 1weo h GLU 40 CO -0.03 -0.19 -2.28 0.00 -1.18 0.00 0.00 179.01 175.33 1weo n GLY 42 N 2.12 1.13 3.64 0.00 0.00 -1.20 -5.07 105.19 105.81 1weo n GLY 42 Ca -0.41 0.00 -0.43 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 -2.00 3.17 -0.65 1.61 5.36 -1.19 -4.97 117.98 119.31 1weo s PHE 43 Ca 0.00 1.15 -0.26 0.00 -0.96 0.00 0.00 56.93 56.85 1weo s PHE 43 Cb 0.00 -3.59 -0.02 0.00 -0.34 0.00 0.00 43.02 39.07 1weo s PHE 43 CO 0.00 -0.72 1.88 -1.25 -1.46 0.00 0.00 175.22 173.67 1weo s PRO 44 N 3.51 2.61 -0.14 10.12 0.04 -1.26 -3.64 135.00 146.25 1weo s PRO 44 Ca 0.43 0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 1weo s PRO 44 Cb -0.13 -4.47 0.04 0.00 0.04 0.00 0.00 34.50 29.98 1weo s PRO 44 CO 0.14 -2.82 -0.02 0.00 0.04 0.00 0.00 177.00 174.35 1weo s ALA 45 N 9.24 1.10 1.17 8.56 0.00 -1.26 -0.32 121.76 140.25 1weo s ALA 45 Ca 0.68 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 1weo s ALA 45 Cb -0.12 -1.00 0.21 0.00 0.00 0.00 0.00 23.12 22.21 1weo s ALA 45 CO 0.18 -0.74 0.46 0.00 0.00 0.00 0.00 175.76 175.66 1weo h ARG 47 N 0.00 -0.24 -0.13 0.00 2.43 -1.97 -2.48 114.38 111.99 1weo h ARG 47 Ca -0.21 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1weo h ARG 47 Cb 0.71 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1weo h ARG 47 CO 0.13 0.12 0.00 -0.35 -1.51 0.00 0.00 179.97 178.36 1weo n PRO 48 N -5.03 0.49 -0.01 0.20 -0.04 -1.26 -2.39 135.00 126.96 1weo n PRO 48 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1weo n PRO 48 Cb 0.24 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.24 0.00 5.03 -1.08 -3.24 116.97 117.39 1weo h TYR 50 Ca -0.06 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.29 1weo h TYR 50 Cb 1.11 0.02 -0.07 0.00 1.55 0.00 0.00 36.73 39.34 1weo h TYR 50 CO 0.00 0.56 -0.53 0.93 -1.32 0.00 0.00 178.16 177.80 1weo h GLU 51 N -0.94 -0.46 -0.70 1.82 5.08 -1.80 -2.34 114.58 115.24 1weo h GLU 51 Ca -0.01 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1weo h GLU 51 Cb 0.63 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 1weo h GLU 51 CO 0.01 -0.31 -0.56 -0.92 -1.00 0.00 0.00 179.01 176.23 1weo h TYR 52 N -0.48 -1.76 -1.57 4.33 3.20 -1.82 0.67 116.97 119.54 1weo h TYR 52 Ca 0.05 0.10 0.47 0.00 3.14 0.00 0.00 58.73 62.49 1weo h TYR 52 Cb 0.61 0.86 -0.08 0.00 1.54 0.00 0.00 36.73 39.67 1weo h TYR 52 CO -0.64 -0.43 1.11 -1.91 -1.64 0.00 0.00 178.16 174.64 1weo n GLU 53 N -5.32 -0.01 -0.08 1.82 4.07 -0.89 0.23 120.64 120.47 1weo n GLU 53 Ca -0.00 0.96 -0.12 0.00 -0.06 0.00 0.00 57.16 57.94 1weo n GLU 53 Cb 0.31 -2.13 -0.15 0.00 -0.06 0.00 0.00 31.44 29.41 1weo n GLU 53 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1weo n ARG 54 N -3.83 0.67 0.20 5.31 1.74 0.20 0.26 116.66 121.21 1weo n ARG 54 Ca 0.37 0.12 -0.08 0.00 -0.77 0.00 0.00 57.85 57.49 1weo n ARG 54 Cb 1.64 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 31.43 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 0.01 -0.50 0.00 5.56 1.12 0.63 -3.40 114.38 117.79 1weo h ARG 55 Ca -0.48 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.40 1weo h ARG 55 Cb 2.11 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 32.18 1weo h ARG 55 CO 0.03 -0.34 -1.57 0.39 -3.11 0.00 0.00 179.97 175.37 1weo n GLU 56 N -3.98 0.58 0.00 0.20 1.02 0.25 -5.00 120.64 113.71 1weo n GLU 56 Ca -0.06 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1weo n GLU 56 Cb 0.21 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.88 -1.86 0.13 0.62 0.00 -0.50 -4.97 105.19 100.49 1weo n GLY 57 Ca -0.04 -1.15 0.04 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.00 -2.57 2.61 -2.24 0.09 -4.78 114.28 107.40 1weo n THR 58 Ca 0.00 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1weo n THR 58 Cb 0.00 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.62 -1.70 -3.66 -0.78 6.02 0.14 -4.96 117.38 111.82 1weo n GLN 59 Ca 0.03 0.27 -0.16 0.00 -0.01 0.00 0.00 57.00 57.13 1weo n GLN 59 Cb 0.17 -3.76 -0.15 0.00 1.02 0.00 0.00 30.24 27.52 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 -2.95 0.66 -0.33 1.08 0.01 -1.26 -4.38 114.94 107.77 1weo s ASN 60 Ca 0.11 0.39 -0.44 0.00 -0.71 0.00 0.00 52.86 52.21 1weo s ASN 60 Cb -0.05 0.42 -0.19 0.00 0.41 0.00 0.00 41.25 41.84 1weo s ASN 60 CO 0.14 -0.25 1.53 0.00 -1.51 0.00 0.00 177.10 177.01 1weo n PRO 62 N 3.81 0.49 -0.03 0.00 -0.04 -1.26 0.26 135.00 138.22 1weo n PRO 62 Ca 0.27 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.69 1weo n PRO 62 Cb 0.02 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.78 0.15 0.00 0.54 7.27 -1.26 -4.84 117.38 118.46 1weo n GLN 63 Ca 0.06 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1weo n GLN 63 Cb 0.03 -1.08 0.00 0.00 2.41 0.00 0.00 30.24 31.60 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 -1.50 -6.05 -3.87 0.00 4.76 0.71 -4.90 118.16 107.30 1weo n LYS 65 Ca 0.00 0.76 -0.21 0.00 -2.87 0.00 0.00 58.31 55.99 1weo n LYS 65 Cb 0.09 -5.62 -0.03 0.00 -1.84 0.00 0.00 35.03 27.63 1weo n LYS 65 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1weo s THR 66 N -3.47 4.29 0.21 -0.18 2.01 -1.26 -4.69 115.64 112.55 1weo s THR 66 Ca 0.04 -1.23 -0.32 0.00 0.31 0.00 0.00 61.69 60.48 1weo s THR 66 Cb -0.02 -3.44 -0.13 0.00 0.01 0.00 0.00 72.50 68.92 1weo s THR 66 CO 0.76 -0.26 1.50 -2.11 -0.69 0.00 0.00 174.62 173.82 1weo n ARG 67 N -1.37 2.14 -1.42 4.92 1.85 -1.26 -3.90 116.66 117.60 1weo n ARG 67 Ca -0.05 0.76 -0.13 0.00 -1.00 0.00 0.00 57.85 57.44 1weo n ARG 67 Cb 0.58 -2.48 0.08 0.00 -1.05 0.00 0.00 32.46 29.59 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 2.60 -3.41 -3.71 2.89 4.01 -1.26 -5.01 117.16 113.26 1weo n TYR 68 Ca 0.14 -0.82 -0.13 0.00 -0.16 0.00 0.00 57.90 56.93 1weo n TYR 68 Cb 0.31 -0.42 -0.09 0.00 -0.31 0.00 0.00 39.34 38.82 1weo n TYR 68 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1weo s LYS 69 N -4.01 0.56 -0.32 -0.72 0.00 -1.26 -4.99 119.74 109.00 1weo s LYS 69 Ca 0.36 0.66 -0.34 0.00 0.00 0.00 0.00 55.97 56.64 1weo s LYS 69 Cb -0.02 0.27 -0.10 0.00 0.00 0.00 0.00 37.83 37.98 1weo s LYS 69 CO 0.24 -0.07 2.18 -2.13 0.00 0.00 0.00 175.35 175.57 1weo n ARG 70 N 2.81 1.24 -1.43 1.78 0.63 -1.26 -4.94 116.66 115.50 1weo n ARG 70 Ca -0.13 0.34 -0.15 0.00 -0.92 0.00 0.00 57.85 56.99 1weo n ARG 70 Cb 0.57 -2.58 0.10 0.00 0.45 0.00 0.00 32.46 30.99 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 9.96 0.00 0.39 6.15 4.77 -1.22 -4.97 117.00 132.08 1weo n LEU 71 Ca 0.39 -1.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.15 1weo n LEU 71 Cb 0.26 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1weo n LEU 71 CO 0.74 -0.92 0.50 0.03 -1.33 0.00 0.00 177.39 176.41 1weo h ARG 72 N 0.00 -0.96 -1.02 3.23 3.08 -2.04 -3.18 114.38 113.49 1weo h ARG 72 Ca -0.22 0.07 -0.58 0.00 0.07 0.00 0.00 59.98 59.32 1weo h ARG 72 Cb 0.71 0.22 -0.29 0.00 0.08 0.00 0.00 29.97 30.69 1weo h ARG 72 CO 0.19 -0.62 0.74 0.41 -1.07 0.00 0.00 179.97 179.62 1weo n GLY 73 N -1.08 5.07 2.68 0.04 0.00 -1.26 -4.80 105.19 105.84 1weo n GLY 73 Ca -0.13 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1weo n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weo s SER 74 N -1.44 3.85 0.39 1.61 0.15 -1.20 -4.90 113.70 112.16 1weo s SER 74 Ca 0.59 -1.51 -0.26 0.00 0.70 0.00 0.00 55.95 55.47 1weo s SER 74 Cb 0.48 -0.71 -0.09 0.00 -1.71 0.00 0.00 66.02 63.99 1weo s SER 74 CO 0.05 -0.42 1.19 -2.16 1.20 0.00 0.00 173.24 173.10 1weo s PRO 75 N 1.76 4.09 0.63 5.44 0.04 -1.26 -3.42 135.00 142.28 1weo s PRO 75 Ca 0.09 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 1weo s PRO 75 Cb -0.17 -2.74 -0.11 0.00 0.04 0.00 0.00 34.50 31.52 1weo s PRO 75 CO -0.28 -0.31 0.03 -2.13 0.04 0.00 0.00 177.00 174.35 1weo n ARG 76 N 0.18 0.15 -4.42 4.56 0.00 -1.26 -4.99 116.66 110.88 1weo n ARG 76 Ca 0.04 0.06 -0.23 0.00 -0.00 0.00 0.00 57.85 57.73 1weo n ARG 76 Cb 0.46 -1.30 -0.08 0.00 0.00 0.00 0.00 32.46 31.53 1weo n ARG 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1weo s VAL 77 N -1.93 0.42 -1.17 5.15 -7.23 -1.26 -5.08 120.40 109.30 1weo s VAL 77 Ca 0.58 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 1weo s VAL 77 Cb -0.41 -2.43 0.12 0.00 0.56 0.00 0.00 36.38 34.22 1weo s VAL 77 CO 0.65 0.00 1.49 -1.61 -0.31 0.00 0.00 175.10 175.32 1weo s GLU 78 N -3.69 3.93 0.00 4.82 2.02 -1.26 -3.78 118.70 120.74 1weo s GLU 78 Ca 0.30 -2.09 0.00 0.00 0.02 0.00 0.00 54.97 53.20 1weo s GLU 78 Cb 0.03 -5.24 0.00 0.00 0.10 0.00 0.00 34.13 29.03 1weo s GLU 78 CO 0.18 -1.98 0.00 0.41 0.02 0.00 0.00 175.26 173.88 1weo n GLY 79 N 5.07 0.03 0.13 -1.39 0.00 -1.26 -5.06 105.19 102.71 1weo n GLY 79 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 1weo n GLY 79 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1weo h ASP 80 N 0.00 0.60 -3.50 1.61 3.58 -1.96 -3.47 116.42 113.28 1weo h ASP 80 Ca 0.00 -0.93 -0.12 0.00 0.42 0.00 0.00 57.03 56.41 1weo h ASP 80 Cb 0.00 -0.20 -0.25 0.00 1.72 0.00 0.00 39.33 40.60 1weo h ASP 80 CO 0.00 1.57 -0.27 -0.70 -2.88 0.00 0.00 179.24 176.97 1weo s GLU 81 N -2.51 0.43 0.42 0.28 2.12 -1.26 -4.62 118.70 113.57 1weo s GLU 81 Ca -0.13 0.70 0.07 0.00 0.36 0.00 0.00 54.97 55.97 1weo s GLU 81 Cb 0.03 0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.45 1weo s GLU 81 CO 0.86 -0.12 0.09 -0.51 -0.54 0.00 0.00 175.26 175.05 1weo s ASP 82 N 0.90 4.14 0.05 -1.70 1.01 -1.26 -5.14 116.67 114.67 1weo s ASP 82 Ca -0.06 -1.28 0.00 0.00 0.71 0.00 0.00 52.55 51.93 1weo s ASP 82 Cb -0.06 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.51 1weo s ASP 82 CO -0.07 -0.55 0.17 -1.83 0.21 0.00 0.00 175.17 173.10 1weo s GLU 83 N -3.82 3.29 0.20 8.23 -1.05 -1.26 -5.04 118.70 119.24 1weo s GLU 83 Ca 0.35 -0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 54.39 1weo s GLU 83 Cb 0.06 -2.96 -0.16 0.00 -0.44 0.00 0.00 34.13 30.63 1weo s GLU 83 CO 0.19 0.61 0.74 -1.91 0.95 0.00 0.00 175.26 175.84 1weo n GLU 84 N 0.47 0.42 -4.22 -4.83 2.13 -1.26 -4.98 120.64 108.37 1weo n GLU 84 Ca -0.07 0.15 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 1weo n GLU 84 Cb 0.51 -1.32 -0.10 0.00 0.27 0.00 0.00 31.44 30.80 1weo n GLU 84 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1weo s ASP 85 N -0.72 0.65 -0.17 4.31 1.01 -1.26 -5.03 116.67 115.46 1weo s ASP 85 Ca 0.66 -1.30 0.01 0.00 0.71 0.00 0.00 52.55 52.63 1weo s ASP 85 Cb -0.90 0.25 0.21 0.00 1.01 0.00 0.00 42.92 43.49 1weo s ASP 85 CO 0.57 -0.73 1.46 2.30 0.21 0.00 0.00 175.17 178.98 1weo n ILE 86 N -0.26 1.92 -3.47 0.77 -6.64 -1.26 -4.76 119.36 105.66 1weo n ILE 86 Ca -0.02 -0.79 -0.43 0.00 -1.77 0.00 0.00 62.75 59.74 1weo n ILE 86 Cb 0.65 -0.94 -0.07 0.00 -1.44 0.00 0.00 39.64 37.84 1weo n ILE 86 CO 0.00 0.00 0.00 1.51 -1.77 0.00 0.00 176.55 176.29 1weo s ASP 87 N 0.32 5.96 0.32 7.28 -4.77 -1.26 -5.06 116.67 119.47 1weo s ASP 87 Ca 0.20 -2.14 0.10 0.00 -3.30 0.00 0.00 52.55 47.41 1weo s ASP 87 Cb 0.16 -2.08 -0.05 0.00 -1.09 0.00 0.00 42.92 39.86 1weo s ASP 87 CO 0.03 -0.67 -0.06 -0.94 0.70 0.00 0.00 175.17 174.23 1weo s SER 88 N 2.57 4.02 0.00 2.11 1.04 -1.26 -5.03 113.70 117.15 1weo s SER 88 Ca 0.09 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1weo s SER 88 Cb -0.23 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1weo s SER 88 CO -0.02 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1weo n GLY 89 N -0.85 1.03 3.56 7.32 0.00 -1.26 -5.01 105.19 109.98 1weo n GLY 89 Ca -0.05 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1weo n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weo s PRO 90 N -0.12 2.54 0.08 1.61 0.04 -1.26 -4.84 135.00 133.05 1weo s PRO 90 Ca 0.00 -0.45 -0.31 0.00 0.04 0.00 0.00 61.00 60.27 1weo s PRO 90 Cb 0.00 -5.10 -0.15 0.00 0.04 0.00 0.00 34.50 29.30 1weo s PRO 90 CO 0.00 -3.50 1.49 0.77 0.04 0.00 0.00 177.00 175.80 1weo h SER 91 N 11.00 -1.26 -3.34 6.66 0.02 -2.03 -3.41 113.55 121.19 1weo h SER 91 Ca 0.12 0.11 -0.67 0.00 -0.84 0.00 0.00 61.79 60.51 1weo h SER 91 Cb 0.99 0.42 -0.33 0.00 0.14 0.00 0.00 62.40 63.63 1weo h SER 91 CO 1.21 -0.58 -0.88 -0.55 -1.14 0.00 0.00 176.83 174.90 1weo s SER 92 N -4.14 3.01 0.00 3.07 0.15 -1.26 -5.35 113.70 109.18 1weo s SER 92 Ca -0.15 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1weo s SER 92 Cb 0.04 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1weo s SER 92 CO 0.53 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.73