#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 0.08 1.61 0.01 -1.26 -5.15 113.70 108.90 1weo s SER 2 Ca 0.00 0.28 -0.19 0.00 1.31 0.00 0.00 55.95 57.35 1weo s SER 2 Cb 0.00 0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 1weo s SER 2 CO 0.00 -0.14 0.58 -0.44 0.41 0.00 0.00 173.24 173.65 1weo s SER 3 N 1.08 7.06 -0.53 2.44 0.01 -1.26 -4.53 113.70 117.98 1weo s SER 3 Ca -0.08 1.26 -0.22 0.00 1.31 0.00 0.00 55.95 58.22 1weo s SER 3 Cb -0.11 -2.36 0.03 0.00 0.21 0.00 0.00 66.02 63.79 1weo s SER 3 CO -0.05 0.26 0.64 0.61 0.41 0.00 0.00 173.24 175.10 1weo n GLY 4 N 1.63 -0.70 3.55 3.44 0.00 -1.26 -5.02 105.19 106.83 1weo n GLY 4 Ca -0.10 1.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.96 1weo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weo s SER 5 N -2.24 -0.80 0.26 1.61 1.04 -1.26 -5.17 113.70 107.13 1weo s SER 5 Ca 0.24 1.14 0.09 0.00 0.48 0.00 0.00 55.95 57.91 1weo s SER 5 Cb -0.04 1.75 -0.04 0.00 0.10 0.00 0.00 66.02 67.79 1weo s SER 5 CO 0.83 -0.17 -0.02 -0.55 0.98 0.00 0.00 173.24 174.32 1weo s SER 6 N 2.30 4.50 0.00 7.02 0.15 -1.26 -5.07 113.70 121.34 1weo s SER 6 Ca -0.06 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1weo s SER 6 Cb -0.07 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 1weo s SER 6 CO -0.18 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1weo n GLY 7 N -0.79 6.95 3.56 9.45 0.00 -1.26 -5.04 105.19 118.05 1weo n GLY 7 Ca -0.07 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 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 1.23 2.55 0.22 1.61 0.04 -1.26 -4.93 135.00 134.46 1weo s PRO 8 Ca 0.00 -0.23 -0.28 0.00 0.04 0.00 0.00 61.00 60.53 1weo s PRO 8 Cb 0.00 -5.02 -0.17 0.00 0.04 0.00 0.00 34.50 29.35 1weo s PRO 8 CO 0.00 -3.35 0.55 1.63 0.04 0.00 0.00 177.00 175.87 1weo n LYS 9 N 8.87 0.13 -1.07 4.56 5.02 -1.26 -4.93 118.16 129.48 1weo n LYS 9 Ca 0.39 0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 56.42 1weo n LYS 9 Cb 0.47 -1.09 0.25 0.00 -0.02 0.00 0.00 35.03 34.65 1weo n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1weo s PRO 10 N -1.06 -1.57 -0.44 1.97 0.04 -1.26 -4.97 135.00 127.71 1weo s PRO 10 Ca 0.63 -0.20 0.04 0.00 0.04 0.00 0.00 61.00 61.52 1weo s PRO 10 Cb -0.89 -1.57 0.55 0.00 0.04 0.00 0.00 34.50 32.64 1weo s PRO 10 CO 0.57 -3.92 1.75 -0.11 0.04 0.00 0.00 177.00 175.32 1weo n LEU 11 N -4.88 6.01 -4.43 -3.56 7.94 -1.26 -5.02 117.00 111.80 1weo n LEU 11 Ca 0.15 -3.92 -0.29 0.00 -1.11 0.00 0.00 56.01 50.84 1weo n LEU 11 Cb 0.60 -0.77 0.25 0.00 0.53 0.00 0.00 43.42 44.03 1weo n LEU 11 CO 0.42 1.31 0.31 0.29 -1.11 0.00 0.00 177.39 178.60 1weo n LYS 12 N -1.05 -2.37 -3.96 1.96 4.76 -1.26 -5.01 118.16 111.21 1weo n LYS 12 Ca 0.51 -0.67 -0.31 0.00 -2.87 0.00 0.00 58.31 54.98 1weo n LYS 12 Cb 1.20 -2.08 -0.15 0.00 -1.84 0.00 0.00 35.03 32.15 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 -2.29 3.98 -1.04 4.39 2.47 -1.26 -5.02 114.94 116.16 1weo s ASN 13 Ca 0.66 -1.24 -0.04 0.00 0.42 0.00 0.00 52.86 52.66 1weo s ASN 13 Cb -0.23 -1.25 0.16 0.00 -1.45 0.00 0.00 41.25 38.47 1weo s ASN 13 CO 0.66 -0.23 2.35 0.18 -3.72 0.00 0.00 177.10 176.33 1weo n LEU 14 N 4.62 7.55 0.24 3.21 4.32 -1.26 -4.72 117.00 130.96 1weo n LEU 14 Ca -0.12 -4.79 -0.16 0.00 -0.02 0.00 0.00 56.01 50.92 1weo n LEU 14 Cb 0.44 -1.28 -0.08 0.00 -1.62 0.00 0.00 43.42 40.88 1weo n LEU 14 CO 0.18 1.97 0.74 -0.78 -1.22 0.00 0.00 177.39 178.28 1weo h ASP 15 N 4.07 -0.47 0.00 -1.43 3.58 -2.00 -3.48 116.42 116.69 1weo h ASP 15 Ca 0.60 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1weo h ASP 15 Cb 0.38 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1weo h ASP 15 CO 1.29 -0.33 0.00 0.61 -2.88 0.00 0.00 179.24 177.92 1weo n GLY 16 N -1.33 3.59 0.67 -0.78 0.00 -1.26 -4.97 105.19 101.11 1weo n GLY 16 Ca -0.11 -0.51 0.51 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.01 -1.69 1.61 6.02 -1.26 -4.37 117.38 117.68 1weo n GLN 17 Ca 0.00 1.11 -0.42 0.00 -0.01 0.00 0.00 57.00 57.68 1weo n GLN 17 Cb 0.00 -2.49 -0.03 0.00 1.02 0.00 0.00 30.24 28.74 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 -4.06 2.61 -1.58 1.08 3.01 -1.26 -3.34 117.46 113.92 1weo n PHE 18 Ca 0.44 -0.15 -0.38 0.00 1.01 0.00 0.00 57.45 58.37 1weo n PHE 18 Cb 1.93 -2.73 0.05 0.00 -0.01 0.00 0.00 39.48 38.72 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 -0.82 0.62 -0.08 0.00 -0.58 -0.34 -3.02 120.64 116.43 1weo n GLU 20 Ca 0.13 0.17 -0.09 0.00 -0.42 0.00 0.00 57.16 56.95 1weo n GLU 20 Cb 0.47 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 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 -0.24 0.00 0.02 -3.67 2.04 -1.93 -3.32 117.51 110.41 1weo h ILE 21 Ca -0.60 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 64.87 1weo h ILE 21 Cb 1.81 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1weo h ILE 21 CO -0.17 0.00 -2.24 0.00 0.00 0.00 0.00 178.15 175.74 1weo n GLY 23 N 1.73 3.61 2.31 0.00 0.00 -1.17 -5.08 105.19 106.59 1weo n GLY 23 Ca -0.45 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.53 -4.62 1.61 8.00 -1.26 -3.61 116.55 114.14 1weo n ASP 24 Ca 0.00 0.48 -0.43 0.00 0.71 0.00 0.00 54.79 55.55 1weo n ASP 24 Cb 0.00 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.47 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 -0.71 3.84 -0.23 -1.24 0.74 -1.26 -0.80 119.66 120.00 1weo s GLN 25 Ca 0.41 0.82 -0.36 0.00 0.05 0.00 0.00 55.36 56.27 1weo s GLN 25 Cb -0.36 -3.86 -0.13 0.00 1.10 0.00 0.00 33.01 29.76 1weo s GLN 25 CO 0.47 -1.22 1.93 -0.89 -0.55 0.00 0.00 175.29 175.02 1weo n ILE 26 N 6.50 0.38 0.00 -2.34 5.41 -1.21 -4.86 119.36 123.24 1weo n ILE 26 Ca 0.13 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1weo n ILE 26 Cb 0.48 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 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 4.95 -0.04 3.86 7.39 0.00 -1.26 -4.83 105.19 115.26 1weo n GLY 27 Ca 0.29 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 3.24 0.78 0.99 1.43 -1.26 -3.69 118.68 120.17 1weo s LEU 28 Ca 0.00 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.14 1weo s LEU 28 Cb 0.00 -1.82 0.10 0.00 0.03 0.00 0.00 46.19 44.50 1weo s LEU 28 CO 0.00 -0.72 1.10 0.42 0.23 0.00 0.00 176.35 177.39 1weo s THR 29 N -2.54 2.16 0.45 5.49 -4.23 0.13 -4.67 115.64 112.43 1weo s THR 29 Ca 0.45 -0.22 0.25 0.00 -1.18 0.00 0.00 61.69 61.00 1weo s THR 29 Cb -0.02 -2.94 0.45 0.00 1.34 0.00 0.00 72.50 71.33 1weo s THR 29 CO 0.26 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.71 1weo h VAL 30 N -0.88 0.47 0.01 2.29 2.07 -1.99 -2.09 116.25 116.13 1weo h VAL 30 Ca -0.44 -0.08 -0.26 0.00 0.82 0.00 0.00 66.70 66.75 1weo h VAL 30 Cb 1.29 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1weo h VAL 30 CO 0.53 0.04 -1.40 -0.62 0.02 0.00 0.00 177.57 176.15 1weo n GLU 31 N -4.46 0.59 0.00 1.57 -0.58 -1.26 -5.02 120.64 111.47 1weo n GLU 31 Ca 0.25 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 1weo n GLU 31 Cb 1.02 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 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 1.48 1.42 3.23 0.62 0.00 -0.79 -5.15 105.19 106.00 1weo n GLY 32 Ca -0.33 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.19 -4.70 1.61 8.00 -1.26 -3.76 116.55 113.25 1weo n ASP 33 Ca 0.00 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1weo n ASP 33 Cb 0.00 -0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 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 2.22 4.35 -0.80 0.64 1.98 -1.26 0.19 118.68 126.00 1weo s LEU 34 Ca 0.50 2.24 -0.26 0.00 -2.89 0.00 0.00 54.13 53.72 1weo s LEU 34 Cb -0.13 -3.58 0.03 0.00 0.66 0.00 0.00 46.19 43.17 1weo s LEU 34 CO 0.70 -0.68 1.42 0.12 -1.89 0.00 0.00 176.35 176.02 1weo s PHE 35 N 1.65 2.25 -0.87 5.38 5.36 -1.24 -4.77 117.98 125.73 1weo s PHE 35 Ca 0.65 -0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 56.48 1weo s PHE 35 Cb -0.35 -4.56 0.22 0.00 -0.34 0.00 0.00 43.02 37.99 1weo s PHE 35 CO 0.29 -2.06 0.75 0.54 -1.46 0.00 0.00 175.22 173.29 1weo s VAL 36 N 6.13 4.34 0.01 3.12 0.11 -1.26 -4.81 120.40 128.05 1weo s VAL 36 Ca 0.43 -3.76 -0.03 0.00 -2.93 0.00 0.00 61.98 55.70 1weo s VAL 36 Cb -0.06 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.07 1weo s VAL 36 CO 0.09 -1.07 0.63 0.00 -3.33 0.00 0.00 175.10 171.42 1weo n ALA 37 N 2.47 -0.05 -2.80 1.54 0.00 -1.25 -4.17 120.51 116.25 1weo n ALA 37 Ca 0.20 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 1weo n ALA 37 Cb 0.37 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 2.80 3.24 -0.04 0.00 2.85 -1.26 -3.62 115.26 119.23 1weo n ASN 39 Ca -0.18 -0.04 -0.05 0.00 -0.11 0.00 0.00 54.58 54.20 1weo n ASN 39 Cb 0.53 0.02 -0.04 0.00 1.24 0.00 0.00 39.78 41.53 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 -0.17 0.21 1.20 4.57 -1.96 -3.18 114.58 115.25 1weo h GLU 40 Ca -0.21 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.64 1weo h GLU 40 Cb 1.36 0.04 0.02 0.00 -0.16 0.00 0.00 28.75 30.00 1weo h GLU 40 CO -0.02 -0.11 -1.65 0.00 -1.18 0.00 0.00 179.01 176.04 1weo n GLY 42 N 1.81 1.33 3.61 0.00 0.00 -1.21 -5.07 105.19 105.67 1weo n GLY 42 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 3.03 -0.40 1.61 5.36 -1.24 -4.99 117.98 119.36 1weo s PHE 43 Ca 0.00 0.82 -0.28 0.00 -0.96 0.00 0.00 56.93 56.51 1weo s PHE 43 Cb 0.00 -3.82 -0.01 0.00 -0.34 0.00 0.00 43.02 38.84 1weo s PHE 43 CO 0.00 -0.92 1.73 -1.25 -1.46 0.00 0.00 175.22 173.32 1weo s PRO 44 N 3.71 3.25 -0.13 10.12 0.04 -1.26 -3.52 135.00 147.21 1weo s PRO 44 Ca 0.41 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.60 1weo s PRO 44 Cb -0.11 -4.20 0.04 0.00 0.04 0.00 0.00 34.50 30.27 1weo s PRO 44 CO 0.21 -1.96 0.02 0.00 0.04 0.00 0.00 177.00 175.30 1weo s ALA 45 N 7.00 0.83 1.29 8.56 0.00 -1.26 -1.20 121.76 136.97 1weo s ALA 45 Ca 0.73 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.13 1weo s ALA 45 Cb -0.19 -0.94 0.30 0.00 0.00 0.00 0.00 23.12 22.30 1weo s ALA 45 CO 0.31 -0.77 0.68 0.00 0.00 0.00 0.00 175.76 175.97 1weo h ARG 47 N 0.00 -0.11 -0.25 0.00 2.43 -1.96 -2.18 114.38 112.32 1weo h ARG 47 Ca -0.31 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1weo h ARG 47 Cb 1.04 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1weo h ARG 47 CO 0.18 0.27 0.00 -0.35 -1.51 0.00 0.00 179.97 178.56 1weo n PRO 48 N -4.96 0.49 0.00 0.20 -0.04 -1.26 -2.19 135.00 127.24 1weo n PRO 48 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1weo n PRO 48 Cb 0.22 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.00 -0.35 0.00 5.03 -1.16 -3.14 116.97 117.34 1weo h TYR 50 Ca 0.00 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.36 1weo h TYR 50 Cb 0.85 0.00 -0.08 0.00 1.55 0.00 0.00 36.73 39.05 1weo h TYR 50 CO 0.00 0.49 -0.52 0.93 -1.32 0.00 0.00 178.16 177.75 1weo h GLU 51 N -1.00 -0.40 -0.61 1.82 3.07 -1.69 -0.84 114.58 114.92 1weo h GLU 51 Ca -0.00 0.03 0.12 0.00 -0.50 0.00 0.00 59.36 59.01 1weo h GLU 51 Cb 0.50 0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 28.40 1weo h GLU 51 CO 0.00 -0.27 0.07 -0.92 -1.40 0.00 0.00 179.01 176.49 1weo h TYR 52 N -0.41 0.09 -1.32 4.33 3.20 -1.77 0.18 116.97 121.27 1weo h TYR 52 Ca 0.09 0.04 0.38 0.00 3.14 0.00 0.00 58.73 62.38 1weo h TYR 52 Cb 0.61 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1weo h TYR 52 CO -0.67 -0.10 0.93 1.49 -1.64 0.00 0.00 178.16 178.17 1weo h GLU 53 N 0.19 0.07 0.00 1.82 4.57 -1.10 1.07 114.58 121.20 1weo h GLU 53 Ca 0.33 -0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.32 1weo h GLU 53 Cb 0.52 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1weo h GLU 53 CO -0.47 0.05 -1.35 0.00 -1.18 0.00 0.00 179.01 176.05 1weo h ARG 54 N 0.07 0.00 0.11 1.92 3.08 -0.43 -1.41 114.38 117.72 1weo h ARG 54 Ca 0.67 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.71 1weo h ARG 54 Cb 2.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.51 1weo h ARG 54 CO -0.11 0.36 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.01 1weo h ARG 55 N 0.00 -0.14 0.00 0.04 1.12 0.20 -3.42 114.38 112.18 1weo h ARG 55 Ca -0.16 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.68 1weo h ARG 55 Cb 1.63 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.62 1weo h ARG 55 CO 0.06 -0.09 -1.57 0.39 -3.11 0.00 0.00 179.97 175.64 1weo n GLU 56 N -2.94 0.72 0.00 0.20 1.02 -0.11 -5.01 120.64 114.51 1weo n GLU 56 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1weo n GLU 56 Cb 0.06 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.94 -3.27 0.46 0.62 0.00 -0.87 -4.94 105.19 99.13 1weo n GLY 57 Ca -0.05 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.89 0.00 -3.05 2.61 -2.24 -0.93 -4.80 114.28 104.98 1weo n THR 58 Ca 0.00 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1weo n THR 58 Cb 0.00 1.24 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.31 -4.75 -3.71 -0.78 6.02 -0.59 -5.01 117.38 108.87 1weo n GLN 59 Ca 0.07 0.66 -0.16 0.00 -0.01 0.00 0.00 57.00 57.56 1weo n GLN 59 Cb 0.34 -5.07 -0.16 0.00 1.02 0.00 0.00 30.24 26.37 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 -2.99 0.47 -0.01 1.08 0.01 -1.26 -4.22 114.94 108.01 1weo s ASN 60 Ca 0.33 0.18 -0.33 0.00 -0.71 0.00 0.00 52.86 52.32 1weo s ASN 60 Cb -0.14 0.05 -0.12 0.00 0.41 0.00 0.00 41.25 41.45 1weo s ASN 60 CO 0.40 -0.19 1.83 0.00 -1.51 0.00 0.00 177.10 177.63 1weo n PRO 62 N 6.02 0.49 -0.02 0.00 -0.04 -1.26 0.27 135.00 140.46 1weo n PRO 62 Ca 0.21 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1weo n PRO 62 Cb 0.31 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.72 0.11 0.00 0.54 7.27 -1.26 -4.85 117.38 118.47 1weo n GLN 63 Ca 0.05 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1weo n GLN 63 Cb 0.02 -1.05 0.00 0.00 2.41 0.00 0.00 30.24 31.63 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 -1.00 -4.36 -3.56 0.00 4.76 0.75 -4.89 118.16 109.86 1weo n LYS 65 Ca 0.00 0.64 -0.20 0.00 -2.87 0.00 0.00 58.31 55.88 1weo n LYS 65 Cb 0.00 -5.16 -0.01 0.00 -1.84 0.00 0.00 35.03 28.02 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 -3.60 4.47 0.13 -0.18 2.01 -1.26 -4.65 115.64 112.55 1weo s THR 66 Ca 0.09 -0.91 -0.31 0.00 0.31 0.00 0.00 61.69 60.87 1weo s THR 66 Cb -0.02 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 1weo s THR 66 CO 0.81 -0.25 1.70 0.00 -0.69 0.00 0.00 174.62 176.19 1weo s ARG 67 N -4.17 4.17 0.86 4.92 1.70 -1.26 -3.91 118.95 121.27 1weo s ARG 67 Ca 0.42 2.46 -0.14 0.00 -0.47 0.00 0.00 55.73 58.00 1weo s ARG 67 Cb -0.09 -3.43 0.21 0.00 -0.57 0.00 0.00 34.95 31.07 1weo s ARG 67 CO 0.31 -0.75 0.78 0.66 -1.08 0.00 0.00 175.30 175.23 1weo n TYR 68 N 5.04 -3.65 -3.71 5.89 4.02 -1.26 -5.05 117.16 118.45 1weo n TYR 68 Ca 0.16 -0.71 -0.12 0.00 -0.01 0.00 0.00 57.90 57.22 1weo n TYR 68 Cb 0.39 -0.80 -0.10 0.00 -0.02 0.00 0.00 39.34 38.80 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 -4.77 0.45 -0.02 -0.72 0.00 -1.26 -5.12 119.74 108.30 1weo s LYS 69 Ca 0.50 0.68 -0.32 0.00 0.00 0.00 0.00 55.97 56.83 1weo s LYS 69 Cb -0.05 0.12 -0.10 0.00 0.00 0.00 0.00 37.83 37.80 1weo s LYS 69 CO 0.38 -0.10 1.93 -2.13 0.00 0.00 0.00 175.35 175.43 1weo n ARG 70 N 3.49 2.54 -3.34 1.78 0.63 -1.26 -4.97 116.66 115.53 1weo n ARG 70 Ca -0.18 0.93 -0.22 0.00 -0.92 0.00 0.00 57.85 57.47 1weo n ARG 70 Cb 0.56 -2.83 0.02 0.00 0.45 0.00 0.00 32.46 30.66 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 7.04 0.00 -0.05 6.15 4.77 -1.19 -5.01 117.00 128.71 1weo n LEU 71 Ca 0.21 -2.47 -0.13 0.00 -0.03 0.00 0.00 56.01 53.60 1weo n LEU 71 Cb 0.35 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1weo n LEU 71 CO 0.70 -0.59 0.61 0.03 -1.33 0.00 0.00 177.39 176.81 1weo h ARG 72 N 0.00 0.31 -0.00 3.23 3.08 -2.01 -3.16 114.38 115.83 1weo h ARG 72 Ca -0.29 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1weo h ARG 72 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1weo h ARG 72 CO 0.45 0.70 -0.27 0.41 -1.07 0.00 0.00 179.97 180.18 1weo n GLY 73 N 0.17 -0.95 3.28 0.04 0.00 -1.26 -4.72 105.19 101.77 1weo n GLY 73 Ca -0.06 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.68 5.57 0.99 1.61 0.15 -1.19 -4.97 113.70 113.18 1weo s SER 74 Ca 0.21 -1.35 -0.12 0.00 0.70 0.00 0.00 55.95 55.38 1weo s SER 74 Cb 0.19 -1.96 0.19 0.00 -1.71 0.00 0.00 66.02 62.72 1weo s SER 74 CO 0.56 -0.46 1.09 -2.16 1.20 0.00 0.00 173.24 173.47 1weo s PRO 75 N 1.43 0.47 0.48 5.44 0.04 -1.26 -3.17 135.00 138.43 1weo s PRO 75 Ca 0.02 0.54 -0.22 0.00 0.04 0.00 0.00 61.00 61.38 1weo s PRO 75 Cb -0.22 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1weo s PRO 75 CO 0.03 -2.71 1.14 0.50 0.04 0.00 0.00 177.00 176.00 1weo s ARG 76 N -4.96 3.67 0.32 4.56 3.52 -1.26 -4.90 118.95 119.90 1weo s ARG 76 Ca 0.65 1.69 0.05 0.00 -0.13 0.00 0.00 55.73 57.99 1weo s ARG 76 Cb -0.19 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1weo s ARG 76 CO 0.58 -0.60 0.17 1.33 -0.81 0.00 0.00 175.30 175.96 1weo n VAL 77 N -0.72 0.00 -0.95 7.11 0.24 -1.26 -5.03 118.33 117.72 1weo n VAL 77 Ca 0.08 -2.02 -0.11 0.00 -2.04 0.00 0.00 64.34 60.26 1weo n VAL 77 Cb 0.49 0.84 -0.16 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.68 1.91 -2.11 7.34 1.02 -1.26 -3.64 120.64 123.22 1weo n GLU 78 Ca -0.00 -0.92 -0.03 0.00 -0.02 0.00 0.00 57.16 56.19 1weo n GLU 78 Cb 0.51 -1.92 0.07 0.00 -0.02 0.00 0.00 31.44 30.08 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 2.43 1.45 0.44 0.62 0.00 -1.26 -4.94 105.19 103.93 1weo n GLY 79 Ca 0.39 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.03 2.24 -3.63 1.61 2.03 -1.24 -4.98 116.55 111.55 1weo n ASP 80 Ca -0.20 -3.47 -0.04 0.00 0.52 0.00 0.00 54.79 51.60 1weo n ASP 80 Cb 0.80 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.65 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 -3.05 0.60 0.46 -0.67 2.12 -1.26 -5.12 118.70 111.78 1weo s GLU 81 Ca 0.36 1.18 -0.20 0.00 0.36 0.00 0.00 54.97 56.67 1weo s GLU 81 Cb 0.33 0.35 -0.10 0.00 0.26 0.00 0.00 34.13 34.97 1weo s GLU 81 CO -0.01 -0.15 0.99 0.16 -0.54 0.00 0.00 175.26 175.71 1weo s ASP 82 N 1.99 6.66 -0.21 -1.70 1.47 -1.26 -5.06 116.67 118.56 1weo s ASP 82 Ca -0.08 1.79 -0.30 0.00 1.18 0.00 0.00 52.55 55.13 1weo s ASP 82 Cb -0.07 -2.55 0.15 0.00 -0.34 0.00 0.00 42.92 40.12 1weo s ASP 82 CO -0.19 -0.56 1.16 -0.70 0.68 0.00 0.00 175.17 175.56 1weo s GLU 83 N -3.25 0.36 -0.18 2.11 2.12 -1.26 -5.15 118.70 113.45 1weo s GLU 83 Ca 0.64 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 56.01 1weo s GLU 83 Cb -0.12 0.17 0.06 0.00 0.26 0.00 0.00 34.13 34.49 1weo s GLU 83 CO 0.17 -0.12 0.04 -2.00 -0.54 0.00 0.00 175.26 172.82 1weo s GLU 84 N -1.19 0.54 -0.86 4.30 2.56 -1.26 -5.03 118.70 117.76 1weo s GLU 84 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.97 54.66 1weo s GLU 84 Cb -0.01 -1.98 0.35 0.00 2.00 0.00 0.00 34.13 34.49 1weo s GLU 84 CO -0.03 -0.62 2.02 -3.47 -0.56 0.00 0.00 175.26 172.60 1weo n ASP 85 N 5.10 7.52 -4.89 -1.70 2.03 -1.26 -4.99 116.55 118.36 1weo n ASP 85 Ca -0.08 -3.82 -0.32 0.00 0.52 0.00 0.00 54.79 51.09 1weo n ASP 85 Cb 0.48 -1.08 -0.05 0.00 -0.72 0.00 0.00 41.12 39.75 1weo n ASP 85 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1weo s ILE 86 N -5.00 5.11 0.12 5.18 -4.36 -1.26 -5.02 121.20 115.97 1weo s ILE 86 Ca 0.51 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 61.05 1weo s ILE 86 Cb 0.42 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 40.51 1weo s ILE 86 CO -0.39 0.02 0.00 0.47 0.24 0.00 0.00 174.94 175.27 1weo n ASP 87 N 0.05 0.75 -3.40 4.36 8.00 -1.26 -5.06 116.55 119.98 1weo n ASP 87 Ca -0.02 0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 1weo n ASP 87 Cb 0.52 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 1weo n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1weo s SER 88 N -5.70 0.88 0.00 -2.24 0.15 -1.26 -5.13 113.70 100.40 1weo s SER 88 Ca 0.00 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1weo s SER 88 Cb 0.00 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1weo s SER 88 CO 0.00 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1weo n GLY 89 N 5.34 0.81 1.95 9.45 0.00 -1.26 -5.13 105.19 116.35 1weo n GLY 89 Ca -0.04 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 1weo n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1weo n PRO 90 N -1.28 -2.21 -3.25 1.61 -0.04 -1.26 -4.96 135.00 123.61 1weo n PRO 90 Ca 0.00 -0.97 -0.46 0.00 -0.04 0.00 0.00 63.50 62.03 1weo n PRO 90 Cb 0.00 -0.91 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1weo n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1weo s SER 91 N -3.15 6.86 -0.04 3.54 0.15 -1.26 -4.99 113.70 114.81 1weo s SER 91 Ca 0.40 -2.77 -0.08 0.00 0.70 0.00 0.00 55.95 54.20 1weo s SER 91 Cb -0.04 -2.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1weo s SER 91 CO 0.30 -0.61 0.20 -0.44 1.20 0.00 0.00 173.24 173.89 1weo s SER 92 N 2.27 -0.13 0.00 5.45 0.01 -1.26 -5.26 113.70 114.78 1weo s SER 92 Ca 0.24 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1weo s SER 92 Cb -0.09 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1weo s SER 92 CO -0.08 -0.21 0.02 0.61 0.41 0.00 0.00 173.24 173.98