#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 -5.19 113.70 109.11 1weo s SER 2 Ca 0.00 -0.29 -0.18 0.00 1.31 0.00 0.00 55.95 56.79 1weo s SER 2 Cb 0.00 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.59 1weo s SER 2 CO 0.00 -0.60 0.78 -0.44 0.41 0.00 0.00 173.24 173.40 1weo s SER 3 N -3.04 -0.09 -0.08 2.44 0.01 -1.26 -5.19 113.70 106.50 1weo s SER 3 Ca 0.15 -0.92 -0.32 0.00 1.31 0.00 0.00 55.95 56.16 1weo s SER 3 Cb 0.02 0.79 0.14 0.00 0.21 0.00 0.00 66.02 67.17 1weo s SER 3 CO -0.01 -1.53 1.36 -0.83 0.41 0.00 0.00 173.24 172.65 1weo s GLY 4 N -3.03 -0.44 -0.05 3.44 0.00 -1.26 -5.19 107.32 100.79 1weo s GLY 4 Ca 0.14 0.93 -0.31 0.00 0.00 0.00 0.00 44.72 45.48 1weo s GLY 4 CO 0.09 0.19 1.24 -0.45 0.00 0.00 0.00 173.10 174.18 1weo s SER 5 N -2.90 -0.09 0.22 1.64 0.15 -1.26 -5.19 113.70 106.26 1weo s SER 5 Ca 0.14 -0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.62 1weo s SER 5 Cb 0.06 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1weo s SER 5 CO -0.05 -0.33 0.26 -0.44 1.20 0.00 0.00 173.24 173.88 1weo s SER 6 N -2.76 0.09 0.00 5.45 0.01 -1.26 -5.11 113.70 110.11 1weo s SER 6 Ca 0.13 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1weo s SER 6 Cb 0.03 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1weo s SER 6 CO -0.04 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1weo n GLY 7 N -0.32 0.15 3.57 3.44 0.00 -1.26 -5.00 105.19 105.77 1weo n GLY 7 Ca 0.01 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.12 2.93 -0.02 1.61 0.04 -1.26 -4.95 135.00 133.23 1weo s PRO 8 Ca 0.00 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 61.79 1weo s PRO 8 Cb 0.00 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1weo s PRO 8 CO 0.00 -2.36 0.28 0.15 0.04 0.00 0.00 177.00 175.12 1weo s LYS 9 N 6.42 0.63 0.36 4.56 1.02 -1.26 -5.17 119.74 126.29 1weo s LYS 9 Ca 0.70 -0.20 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 1weo s LYS 9 Cb -0.16 0.28 0.09 0.00 -0.52 0.00 0.00 37.83 37.52 1weo s LYS 9 CO 0.26 -0.17 0.32 -0.35 -0.92 0.00 0.00 175.35 174.49 1weo n PRO 10 N 1.37 -1.65 -2.29 -1.68 -0.04 -1.26 -4.97 135.00 124.49 1weo n PRO 10 Ca -0.21 -0.51 -0.41 0.00 -0.04 0.00 0.00 63.50 62.33 1weo n PRO 10 Cb 0.56 -0.48 -0.03 0.00 -0.04 0.00 0.00 33.50 33.51 1weo n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1weo s LEU 11 N 0.00 4.44 0.40 1.53 2.96 -1.26 -5.04 118.68 121.71 1weo s LEU 11 Ca 0.21 2.35 0.08 0.00 -0.22 0.00 0.00 54.13 56.54 1weo s LEU 11 Cb -0.02 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1weo s LEU 11 CO 0.16 -0.44 0.17 -0.54 -1.32 0.00 0.00 176.35 174.38 1weo s LYS 12 N -0.41 2.25 0.98 1.98 3.01 -1.26 -5.10 119.74 121.19 1weo s LYS 12 Ca 0.54 -1.78 -0.15 0.00 -1.01 0.00 0.00 55.97 53.56 1weo s LYS 12 Cb -0.35 -2.02 -0.06 0.00 -1.01 0.00 0.00 37.83 34.39 1weo s LYS 12 CO 0.39 -0.07 -0.26 -1.71 0.51 0.00 0.00 175.35 174.21 1weo n ASN 13 N -1.22 -4.09 -1.94 2.83 2.85 -1.26 -4.80 115.26 107.63 1weo n ASN 13 Ca -0.01 0.23 -0.17 0.00 -0.11 0.00 0.00 54.58 54.52 1weo n ASN 13 Cb 0.64 -0.96 0.02 0.00 1.24 0.00 0.00 39.78 40.72 1weo n ASN 13 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1weo n LEU 14 N 1.20 6.37 -0.33 1.20 4.77 -1.26 -4.67 117.00 124.29 1weo n LEU 14 Ca 0.02 -3.33 0.14 0.00 -0.03 0.00 0.00 56.01 52.82 1weo n LEU 14 Cb 0.56 -1.09 0.28 0.00 -2.33 0.00 0.00 43.42 40.84 1weo n LEU 14 CO 0.52 1.28 0.76 -0.67 -1.33 0.00 0.00 177.39 177.95 1weo n ASP 15 N 0.53 -0.10 0.00 -1.43 -0.08 -1.26 -4.82 116.55 109.39 1weo n ASP 15 Ca 0.30 1.62 0.00 0.00 -1.51 0.00 0.00 54.79 55.20 1weo n ASP 15 Cb 0.58 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.44 1weo n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1weo n GLY 16 N -1.47 4.00 0.44 0.27 0.00 -1.26 -4.96 105.19 102.21 1weo n GLY 16 Ca 0.23 -0.94 0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.68 1.61 6.02 -1.26 -4.33 117.38 117.72 1weo n GLN 17 Ca 0.00 0.87 -0.45 0.00 -0.01 0.00 0.00 57.00 57.41 1weo n GLN 17 Cb 0.00 -1.85 -0.04 0.00 1.02 0.00 0.00 30.24 29.37 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 -3.79 2.45 -1.56 1.08 3.01 -1.26 -3.52 117.46 113.86 1weo n PHE 18 Ca 0.32 0.05 -0.38 0.00 1.01 0.00 0.00 57.45 58.45 1weo n PHE 18 Cb 1.34 -2.65 0.05 0.00 -0.01 0.00 0.00 39.48 38.21 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 -0.68 0.72 0.15 0.00 -0.58 -0.56 -2.96 120.64 116.73 1weo n GLU 20 Ca 0.13 0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.77 1weo n GLU 20 Cb 0.47 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 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 -3.36 117.51 110.59 1weo h ILE 21 Ca -0.55 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 64.99 1weo h ILE 21 Cb 2.08 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1weo h ILE 21 CO -0.02 0.00 -2.17 0.00 0.00 0.00 0.00 178.15 175.96 1weo n GLY 23 N 2.28 3.49 2.49 0.00 0.00 -1.16 -5.07 105.19 107.22 1weo n GLY 23 Ca -0.38 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.25 -4.64 1.61 8.00 -1.26 -3.52 116.55 115.49 1weo n ASP 24 Ca 0.00 0.77 -0.43 0.00 0.71 0.00 0.00 54.79 55.84 1weo n ASP 24 Cb 0.00 -0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 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 3.91 -0.11 -1.24 0.74 -1.26 -1.16 119.66 119.81 1weo s GLN 25 Ca 0.46 1.55 -0.31 0.00 0.05 0.00 0.00 55.36 57.12 1weo s GLN 25 Cb -0.63 -3.95 -0.08 0.00 1.10 0.00 0.00 33.01 29.45 1weo s GLN 25 CO 0.43 -1.13 2.06 -0.89 -0.55 0.00 0.00 175.29 175.20 1weo n ILE 26 N 6.15 0.54 0.00 -2.34 5.41 -1.23 -4.86 119.36 123.03 1weo n ILE 26 Ca 0.17 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1weo n ILE 26 Cb 0.45 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 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 5.11 0.63 3.75 7.39 0.00 -1.26 -4.84 105.19 115.97 1weo n GLY 27 Ca 0.26 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 3.53 0.99 0.99 1.43 -1.26 -3.39 118.68 120.97 1weo s LEU 28 Ca 0.00 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1weo s LEU 28 Cb 0.00 -2.05 0.19 0.00 0.03 0.00 0.00 46.19 44.35 1weo s LEU 28 CO 0.00 -0.04 1.15 0.42 0.23 0.00 0.00 176.35 178.10 1weo s THR 29 N -2.23 1.92 0.37 5.49 -4.23 0.12 -4.78 115.64 112.30 1weo s THR 29 Ca 0.33 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.95 1weo s THR 29 Cb -0.07 -2.69 0.34 0.00 1.34 0.00 0.00 72.50 71.42 1weo s THR 29 CO 0.23 0.00 1.86 1.62 -0.54 0.00 0.00 174.62 177.78 1weo h VAL 30 N -1.81 0.77 0.11 2.29 3.04 -1.99 -2.45 116.25 116.22 1weo h VAL 30 Ca -0.49 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 1weo h VAL 30 Cb 1.31 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1weo h VAL 30 CO 0.53 0.11 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.81 1weo h GLU 31 N 0.60 -0.15 0.00 4.17 5.08 -2.03 -3.48 114.58 118.77 1weo h GLU 31 Ca 0.47 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1weo h GLU 31 Cb 0.89 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1weo h GLU 31 CO -0.21 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1weo n GLY 32 N 0.79 0.00 3.16 -3.84 0.00 -0.92 -5.17 105.19 99.21 1weo n GLY 32 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 1.70 0.02 1.61 1.01 -1.26 -4.81 116.67 114.93 1weo s ASP 33 Ca 0.00 -0.51 -0.39 0.00 0.71 0.00 0.00 52.55 52.36 1weo s ASP 33 Cb 0.00 -0.09 -0.20 0.00 1.01 0.00 0.00 42.92 43.64 1weo s ASP 33 CO 0.00 0.01 1.06 -0.11 0.21 0.00 0.00 175.17 176.34 1weo n LEU 34 N 1.71 0.04 -4.49 1.23 -0.00 -1.26 0.16 117.00 114.39 1weo n LEU 34 Ca -0.19 1.16 -0.43 0.00 -0.00 0.00 0.00 56.01 56.55 1weo n LEU 34 Cb 0.54 -0.94 -0.05 0.00 -0.00 0.00 0.00 43.42 42.98 1weo n LEU 34 CO 0.22 -1.91 0.60 0.12 -0.00 0.00 0.00 177.39 176.43 1weo s PHE 35 N -0.02 2.88 -0.55 1.96 2.19 -1.22 -4.68 117.98 118.54 1weo s PHE 35 Ca 0.89 -0.25 -0.08 0.00 0.33 0.00 0.00 56.93 57.82 1weo s PHE 35 Cb -1.23 -3.90 0.14 0.00 -1.31 0.00 0.00 43.02 36.72 1weo s PHE 35 CO 0.56 -1.26 0.41 0.54 1.83 0.00 0.00 175.22 177.31 1weo s VAL 36 N 3.47 4.20 0.12 3.12 0.11 -1.26 -4.78 120.40 125.37 1weo s VAL 36 Ca 0.24 -2.19 -0.31 0.00 -2.93 0.00 0.00 61.98 56.79 1weo s VAL 36 Cb -0.15 -3.74 -0.11 0.00 -1.53 0.00 0.00 36.38 30.85 1weo s VAL 36 CO 0.16 -0.83 1.52 0.00 -3.33 0.00 0.00 175.10 172.61 1weo h ALA 37 N 7.98 -0.79 -3.37 1.54 0.00 -1.78 -3.40 119.26 119.45 1weo h ALA 37 Ca -0.11 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.11 1weo h ALA 37 Cb 1.04 1.07 -0.33 0.00 0.00 0.00 0.00 17.79 19.57 1weo h ALA 37 CO 0.80 -1.02 -0.87 0.00 0.00 0.00 0.00 179.25 178.15 1weo n ASN 39 N 3.53 2.04 -0.13 0.00 5.15 -1.26 -3.07 115.26 121.51 1weo n ASN 39 Ca -0.19 -0.05 -0.13 0.00 -0.60 0.00 0.00 54.58 53.61 1weo n ASN 39 Cb 0.53 0.31 -0.08 0.00 -0.53 0.00 0.00 39.78 40.01 1weo n ASN 39 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1weo h GLU 40 N 0.00 -0.37 0.09 1.20 4.39 -1.98 -3.18 114.58 114.74 1weo h GLU 40 Ca -0.39 0.03 -0.37 0.00 0.34 0.00 0.00 59.36 58.96 1weo h GLU 40 Cb 1.75 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.45 1weo h GLU 40 CO -0.02 -0.25 -2.13 0.00 -1.16 0.00 0.00 179.01 175.46 1weo n GLY 42 N 2.06 1.25 3.60 0.00 0.00 -1.20 -5.08 105.19 105.82 1weo n GLY 42 Ca -0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 3.10 -0.25 1.61 5.36 -1.18 -5.00 117.98 119.62 1weo s PHE 43 Ca 0.00 0.72 -0.29 0.00 -0.96 0.00 0.00 56.93 56.40 1weo s PHE 43 Cb 0.00 -3.54 -0.02 0.00 -0.34 0.00 0.00 43.02 39.11 1weo s PHE 43 CO 0.00 -0.78 1.63 -1.25 -1.46 0.00 0.00 175.22 173.36 1weo s PRO 44 N 3.33 3.70 -0.08 10.12 0.04 -1.26 -3.40 135.00 147.45 1weo s PRO 44 Ca 0.36 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 1weo s PRO 44 Cb -0.12 -4.06 0.04 0.00 0.04 0.00 0.00 34.50 30.39 1weo s PRO 44 CO 0.18 -1.40 0.04 0.00 0.04 0.00 0.00 177.00 175.85 1weo s ALA 45 N 5.49 0.49 1.30 8.56 0.00 -1.26 -1.50 121.76 134.84 1weo s ALA 45 Ca 0.72 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.46 1weo s ALA 45 Cb -0.24 -0.77 0.25 0.00 0.00 0.00 0.00 23.12 22.36 1weo s ALA 45 CO 0.30 -0.63 0.55 0.00 0.00 0.00 0.00 175.76 175.98 1weo h ARG 47 N 0.00 -0.30 -0.20 0.00 9.65 -1.97 -2.50 114.38 119.06 1weo h ARG 47 Ca -0.25 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1weo h ARG 47 Cb 0.85 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 1weo h ARG 47 CO 0.15 0.03 0.00 -0.35 2.80 0.00 0.00 179.97 182.60 1weo n PRO 48 N -5.07 0.49 -0.01 0.20 -0.04 -1.26 -2.52 135.00 126.79 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 0.25 -1.10 -0.01 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 -0.26 0.12 0.00 5.03 -1.15 -2.84 116.97 117.86 1weo h TYR 50 Ca -0.05 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1weo h TYR 50 Cb 1.09 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.44 1weo h TYR 50 CO 0.00 0.10 -0.23 0.93 -1.32 0.00 0.00 178.16 177.64 1weo h GLU 51 N -0.93 -0.37 -0.71 1.82 3.07 -1.82 -2.35 114.58 113.29 1weo h GLU 51 Ca -0.03 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1weo h GLU 51 Cb 0.48 0.08 -0.11 0.00 -0.84 0.00 0.00 28.75 28.37 1weo h GLU 51 CO 0.05 -0.24 -0.53 -0.92 -1.40 0.00 0.00 179.01 175.96 1weo h TYR 52 N -0.38 -1.65 -1.37 4.33 3.20 -1.80 0.96 116.97 120.25 1weo h TYR 52 Ca -0.01 0.10 0.41 0.00 3.14 0.00 0.00 58.73 62.37 1weo h TYR 52 Cb 0.36 0.82 -0.10 0.00 1.54 0.00 0.00 36.73 39.35 1weo h TYR 52 CO -0.28 -0.43 0.93 1.49 -1.64 0.00 0.00 178.16 178.23 1weo h GLU 53 N -0.18 0.10 0.00 1.82 4.81 -1.34 1.62 114.58 121.40 1weo h GLU 53 Ca 0.15 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1weo h GLU 53 Cb 0.52 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1weo h GLU 53 CO -0.78 0.07 -1.33 0.54 -0.73 0.00 0.00 179.01 176.78 1weo n ARG 54 N -4.43 0.62 -0.05 1.92 1.74 0.24 -0.17 116.66 116.53 1weo n ARG 54 Ca 0.34 0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.45 1weo n ARG 54 Cb 1.41 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 31.10 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 0.00 0.00 0.00 5.56 1.12 0.88 -3.42 114.38 118.52 1weo h ARG 55 Ca -0.03 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.69 1weo h ARG 55 Cb 1.08 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.01 1weo h ARG 55 CO 0.01 0.00 -1.90 0.39 -3.11 0.00 0.00 179.97 175.35 1weo n GLU 56 N -4.54 1.11 0.00 0.20 1.02 0.22 -4.94 120.64 113.70 1weo n GLU 56 Ca -0.03 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1weo n GLU 56 Cb 0.10 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.87 -2.13 0.42 0.62 0.00 -0.49 -4.95 105.19 100.53 1weo n GLY 57 Ca -0.15 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 44.84 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 0.43 -3.55 2.61 -2.24 -0.32 -4.83 114.28 106.38 1weo n THR 58 Ca 0.00 -0.72 -0.25 0.00 -2.27 0.00 0.00 64.05 60.82 1weo n THR 58 Cb 0.00 0.89 0.06 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.41 -6.92 -3.73 -0.78 6.02 0.76 -4.98 117.38 108.16 1weo n GLN 59 Ca 0.07 0.79 -0.13 0.00 -0.01 0.00 0.00 57.00 57.72 1weo n GLN 59 Cb 0.29 -5.78 -0.14 0.00 1.02 0.00 0.00 30.24 25.63 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 -3.19 -0.18 0.01 1.08 0.01 -1.26 -4.22 114.94 107.18 1weo s ASN 60 Ca 0.55 0.44 -0.34 0.00 -0.71 0.00 0.00 52.86 52.81 1weo s ASN 60 Cb -0.25 0.33 -0.12 0.00 0.41 0.00 0.00 41.25 41.62 1weo s ASN 60 CO 0.68 -0.16 1.79 0.00 -1.51 0.00 0.00 177.10 177.89 1weo n PRO 62 N 5.61 0.49 -0.05 0.00 -0.04 -1.26 0.26 135.00 140.01 1weo n PRO 62 Ca 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1weo n PRO 62 Cb 0.30 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.77 0.22 0.00 0.54 7.27 -1.26 -4.82 117.38 118.55 1weo n GLN 63 Ca 0.06 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.22 1weo n GLN 63 Cb 0.03 -0.95 0.00 0.00 2.41 0.00 0.00 30.24 31.73 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 -1.02 -2.38 -4.22 0.00 4.76 0.72 -4.89 118.16 111.12 1weo n LYS 65 Ca 0.00 0.39 -0.35 0.00 -2.87 0.00 0.00 58.31 55.48 1weo n LYS 65 Cb 0.00 -4.24 -0.09 0.00 -1.84 0.00 0.00 35.03 28.86 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 -3.77 4.58 0.06 -0.18 2.01 -1.26 -4.69 115.64 112.39 1weo s THR 66 Ca 0.19 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1weo s THR 66 Cb -0.08 -2.97 -0.16 0.00 0.01 0.00 0.00 72.50 69.30 1weo s THR 66 CO 0.89 0.57 0.73 -2.11 -0.69 0.00 0.00 174.62 174.00 1weo n ARG 67 N 2.51 0.00 -1.59 4.92 1.85 -1.26 -4.17 116.66 118.92 1weo n ARG 67 Ca -0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.52 1weo n ARG 67 Cb 0.53 -1.10 0.09 0.00 -1.05 0.00 0.00 32.46 30.93 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 0.80 -3.39 -3.76 2.89 4.01 -1.26 -5.01 117.16 111.44 1weo n TYR 68 Ca 0.16 -0.95 -0.13 0.00 -0.16 0.00 0.00 57.90 56.82 1weo n TYR 68 Cb 0.12 -0.50 -0.12 0.00 -0.31 0.00 0.00 39.34 38.53 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 -4.25 0.27 -0.58 -0.72 0.00 -1.26 -5.09 119.74 108.10 1weo s LYS 69 Ca 0.42 0.43 -0.30 0.00 0.00 0.00 0.00 55.97 56.51 1weo s LYS 69 Cb -0.02 0.05 -0.13 0.00 0.00 0.00 0.00 37.83 37.73 1weo s LYS 69 CO 0.28 -0.08 2.42 -2.13 0.00 0.00 0.00 175.35 175.84 1weo n ARG 70 N 3.43 0.77 -0.87 1.78 0.63 -1.26 -4.92 116.66 116.23 1weo n ARG 70 Ca -0.17 0.10 -0.13 0.00 -0.92 0.00 0.00 57.85 56.72 1weo n ARG 70 Cb 0.56 -2.58 0.09 0.00 0.45 0.00 0.00 32.46 30.98 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 12.41 0.00 -0.06 6.15 4.77 -0.98 -4.94 117.00 134.34 1weo n LEU 71 Ca 0.46 -0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 1weo n LEU 71 Cb 0.30 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 1weo n LEU 71 CO 0.79 -0.92 0.54 0.03 -1.33 0.00 0.00 177.39 176.50 1weo h ARG 72 N 0.00 0.45 -0.35 3.23 2.47 -2.00 -3.19 114.38 114.99 1weo h ARG 72 Ca -0.19 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1weo h ARG 72 Cb 0.53 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1weo h ARG 72 CO 0.14 0.86 0.00 0.41 0.56 0.00 0.00 179.97 181.93 1weo n GLY 73 N 0.32 1.33 2.98 0.04 0.00 -1.26 -4.76 105.19 103.83 1weo n GLY 73 Ca -0.06 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1weo n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weo s SER 74 N -1.46 4.51 1.22 1.61 1.04 -1.21 -4.90 113.70 114.51 1weo s SER 74 Ca 0.37 -1.86 -0.18 0.00 0.48 0.00 0.00 55.95 54.76 1weo s SER 74 Cb 0.21 -1.45 0.27 0.00 0.10 0.00 0.00 66.02 65.14 1weo s SER 74 CO 0.30 -0.34 0.95 -0.81 0.98 0.00 0.00 173.24 174.31 1weo n PRO 75 N 4.41 -2.88 -1.30 4.02 -0.04 -1.26 -2.33 135.00 135.62 1weo n PRO 75 Ca -0.01 -1.52 -0.33 0.00 -0.04 0.00 0.00 63.50 61.60 1weo n PRO 75 Cb 0.42 -1.43 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -5.16 2.06 0.33 0.54 6.06 -1.26 -4.83 118.95 116.69 1weo s ARG 76 Ca 0.62 1.50 0.06 0.00 -2.50 0.00 0.00 55.73 55.41 1weo s ARG 76 Cb -0.06 -1.85 -0.03 0.00 0.06 0.00 0.00 34.95 33.07 1weo s ARG 76 CO 0.47 -1.85 0.29 0.14 -2.50 0.00 0.00 175.30 171.86 1weo s VAL 77 N -2.41 0.00 -0.48 7.11 -7.23 -1.26 -5.05 120.40 111.08 1weo s VAL 77 Ca 0.68 -1.96 -0.43 0.00 -1.81 0.00 0.00 61.98 58.46 1weo s VAL 77 Cb -0.23 -2.52 -0.18 0.00 0.56 0.00 0.00 36.38 34.01 1weo s VAL 77 CO 0.50 0.00 2.09 -0.62 -0.31 0.00 0.00 175.10 176.76 1weo n GLU 78 N -0.61 0.15 0.00 4.82 4.71 -1.26 -2.89 120.64 125.56 1weo n GLU 78 Ca 0.07 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1weo n GLU 78 Cb 0.62 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 1weo n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1weo n GLY 79 N 7.03 0.89 3.76 0.62 0.00 -1.26 -5.13 105.19 111.11 1weo n GLY 79 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 7.41 -0.29 1.61 2.15 -1.14 -5.04 116.67 121.36 1weo s ASP 80 Ca 0.00 1.98 -0.08 0.00 0.43 0.00 0.00 52.55 54.87 1weo s ASP 80 Cb 0.00 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 1weo s ASP 80 CO 0.00 -0.02 0.12 -1.61 -0.17 0.00 0.00 175.17 173.49 1weo s GLU 81 N -1.62 3.34 0.14 4.34 2.02 -1.26 -4.91 118.70 120.75 1weo s GLU 81 Ca 0.46 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1weo s GLU 81 Cb -0.24 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.52 1weo s GLU 81 CO 0.31 -0.38 0.00 -0.25 0.02 0.00 0.00 175.26 174.96 1weo n ASP 82 N 4.94 0.54 -4.71 -0.19 9.92 -1.26 -5.09 116.55 120.71 1weo n ASP 82 Ca -0.14 0.22 -0.33 0.00 -0.53 0.00 0.00 54.79 54.01 1weo n ASP 82 Cb 0.49 -0.06 0.12 0.00 -0.64 0.00 0.00 41.12 41.04 1weo n ASP 82 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1weo s GLU 83 N -2.00 1.73 0.94 -1.24 2.12 -1.26 -4.93 118.70 114.06 1weo s GLU 83 Ca 0.00 1.64 -0.15 0.00 0.36 0.00 0.00 54.97 56.82 1weo s GLU 83 Cb 0.00 -1.80 -0.06 0.00 0.26 0.00 0.00 34.13 32.53 1weo s GLU 83 CO 0.00 -2.12 -0.15 0.39 -0.54 0.00 0.00 175.26 172.84 1weo n GLU 84 N -3.34 -0.11 -1.08 4.30 1.02 -1.26 -4.81 120.64 115.36 1weo n GLU 84 Ca 0.13 -0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 1weo n GLU 84 Cb 0.51 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1weo n GLU 84 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1weo n ASP 85 N 1.03 6.44 -4.68 1.62 5.68 -1.26 -4.92 116.55 120.45 1weo n ASP 85 Ca 0.03 -3.09 -0.39 0.00 -0.50 0.00 0.00 54.79 50.84 1weo n ASP 85 Cb 0.54 -1.12 -0.06 0.00 -1.14 0.00 0.00 41.12 39.34 1weo n ASP 85 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1weo s ILE 86 N -2.18 5.08 -0.08 2.12 -1.09 -1.26 -5.04 121.20 118.75 1weo s ILE 86 Ca 0.41 1.14 -0.30 0.00 -2.23 0.00 0.00 60.65 59.67 1weo s ILE 86 Cb 0.29 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1weo s ILE 86 CO -0.07 0.19 1.07 1.51 -1.23 0.00 0.00 174.94 176.41 1weo s ASP 87 N 1.00 7.19 -0.28 3.58 -4.77 -1.26 -5.01 116.67 117.12 1weo s ASP 87 Ca 0.29 1.64 -0.17 0.00 -3.30 0.00 0.00 52.55 51.01 1weo s ASP 87 Cb -0.16 -2.56 0.11 0.00 -1.09 0.00 0.00 42.92 39.22 1weo s ASP 87 CO 0.11 -0.48 0.84 -0.55 0.70 0.00 0.00 175.17 175.79 1weo s SER 88 N 1.21 -0.71 0.12 2.11 0.15 -1.26 -5.12 113.70 110.20 1weo s SER 88 Ca 0.51 1.16 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1weo s SER 88 Cb -0.21 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1weo s SER 88 CO 0.20 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1weo n GLY 89 N 3.82 -4.15 3.70 9.45 0.00 -1.26 -4.91 105.19 111.84 1weo n GLY 89 Ca -0.19 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.76 4.31 0.29 1.61 0.04 -1.26 -5.03 135.00 132.20 1weo s PRO 90 Ca 0.00 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.14 1weo s PRO 90 Cb 0.00 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1weo s PRO 90 CO 0.00 -0.50 0.30 0.45 0.04 0.00 0.00 177.00 177.29 1weo s SER 91 N 1.48 5.66 0.27 6.66 0.15 -1.26 -5.13 113.70 121.52 1weo s SER 91 Ca 0.64 -0.26 0.12 0.00 0.70 0.00 0.00 55.95 57.15 1weo s SER 91 Cb -0.34 -1.32 -0.05 0.00 -1.71 0.00 0.00 66.02 62.59 1weo s SER 91 CO 0.29 -0.20 -0.20 -0.55 1.20 0.00 0.00 173.24 173.78 1weo s SER 92 N -3.96 3.52 0.00 5.45 0.15 -1.26 -5.28 113.70 112.31 1weo s SER 92 Ca 0.37 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1weo s SER 92 Cb -0.08 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1weo s SER 92 CO 0.27 0.03 0.25 0.61 1.20 0.00 0.00 173.24 175.60