#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 -0.27 0.32 1.61 0.15 -1.26 -5.19 113.70 109.06 1weo s SER 2 Ca 0.00 0.50 -0.09 0.00 0.70 0.00 0.00 55.95 57.06 1weo s SER 2 Cb 0.00 0.65 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1weo s SER 2 CO 0.00 -0.08 0.55 -0.94 1.20 0.00 0.00 173.24 173.97 1weo s SER 3 N 0.38 0.37 0.00 5.45 1.04 -1.26 -5.14 113.70 114.55 1weo s SER 3 Ca 0.02 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1weo s SER 3 Cb -0.05 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1weo s SER 3 CO -0.11 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.38 1weo n GLY 4 N -0.50 2.52 2.93 7.32 0.00 -1.26 -5.13 105.19 111.07 1weo n GLY 4 Ca -0.02 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1weo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weo s SER 5 N 0.00 2.57 -0.42 1.61 0.01 -1.26 -5.01 113.70 111.20 1weo s SER 5 Ca 0.00 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1weo s SER 5 Cb 0.00 -0.97 0.25 0.00 0.21 0.00 0.00 66.02 65.51 1weo s SER 5 CO 0.00 -0.12 2.11 -1.54 0.41 0.00 0.00 173.24 174.09 1weo n SER 6 N 4.86 6.76 -0.64 2.44 3.41 -1.26 -4.90 113.62 124.30 1weo n SER 6 Ca -0.13 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 1weo n SER 6 Cb 0.49 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1weo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1weo n GLY 7 N 0.13 1.62 3.77 5.00 0.00 -1.26 -5.06 105.19 109.38 1weo n GLY 7 Ca 0.39 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 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 2.97 4.24 0.02 1.61 0.04 -1.26 -5.03 135.00 137.59 1weo s PRO 8 Ca 0.00 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 1weo s PRO 8 Cb 0.00 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 1weo s PRO 8 CO 0.00 -0.20 0.39 -1.59 0.04 0.00 0.00 177.00 175.63 1weo s LYS 9 N -2.00 3.83 0.83 4.56 0.00 -1.26 -5.08 119.74 120.61 1weo s LYS 9 Ca 0.52 0.29 -0.11 0.00 0.00 0.00 0.00 55.97 56.67 1weo s LYS 9 Cb -0.34 -3.14 0.09 0.00 0.00 0.00 0.00 37.83 34.44 1weo s LYS 9 CO 0.44 0.65 1.09 -1.25 0.00 0.00 0.00 175.35 176.28 1weo s PRO 10 N -1.37 1.79 0.96 1.78 0.04 -1.26 -4.99 135.00 131.95 1weo s PRO 10 Ca 0.26 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 1weo s PRO 10 Cb -0.15 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1weo s PRO 10 CO 0.14 -1.92 0.50 -0.11 0.04 0.00 0.00 177.00 175.66 1weo n LEU 11 N -3.69 0.17 -3.06 -3.56 7.94 -1.26 -4.80 117.00 108.73 1weo n LEU 11 Ca 0.08 0.31 -0.30 0.00 -1.11 0.00 0.00 56.01 54.98 1weo n LEU 11 Cb 0.54 -1.23 -0.00 0.00 0.53 0.00 0.00 43.42 43.25 1weo n LEU 11 CO 0.54 -3.38 -0.27 0.29 -1.11 0.00 0.00 177.39 173.47 1weo n LYS 12 N -2.16 0.00 -4.14 1.96 4.01 -1.26 -4.95 118.16 111.62 1weo n LYS 12 Ca 0.07 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.61 1weo n LYS 12 Cb 0.54 -0.71 -0.06 0.00 -0.51 0.00 0.00 35.03 34.29 1weo n LYS 12 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1weo s ASN 13 N -0.71 5.19 -0.34 4.39 -0.87 -1.26 -5.02 114.94 116.32 1weo s ASN 13 Ca 0.43 -0.27 -0.02 0.00 -1.57 0.00 0.00 52.86 51.43 1weo s ASN 13 Cb -0.48 -1.25 0.18 0.00 -0.02 0.00 0.00 41.25 39.68 1weo s ASN 13 CO 0.44 0.06 2.18 0.18 -2.57 0.00 0.00 177.10 177.39 1weo n LEU 14 N -0.39 6.46 0.25 0.60 4.32 -1.26 -4.54 117.00 122.45 1weo n LEU 14 Ca -0.09 -3.45 -0.14 0.00 -0.02 0.00 0.00 56.01 52.32 1weo n LEU 14 Cb 0.55 -1.10 -0.07 0.00 -1.62 0.00 0.00 43.42 41.19 1weo n LEU 14 CO 0.41 1.33 0.45 0.44 -1.22 0.00 0.00 177.39 178.80 1weo h ASP 15 N 1.78 -0.57 0.00 -1.43 5.19 -2.02 -3.48 116.42 115.90 1weo h ASP 15 Ca 0.31 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1weo h ASP 15 Cb 0.89 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1weo h ASP 15 CO 0.78 -0.19 0.00 0.61 -3.12 0.00 0.00 179.24 177.32 1weo n GLY 16 N -0.41 2.89 0.64 2.75 0.00 -1.26 -4.89 105.19 104.91 1weo n GLY 16 Ca -0.10 -0.70 0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.67 1.61 1.13 -1.26 -4.35 117.38 112.84 1weo n GLN 17 Ca 0.00 1.01 -0.44 0.00 -1.94 0.00 0.00 57.00 55.63 1weo n GLN 17 Cb 0.00 -2.36 -0.04 0.00 0.11 0.00 0.00 30.24 27.95 1weo n GLN 17 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1weo n PHE 18 N -3.68 2.46 -1.38 1.08 3.01 -1.26 -3.54 117.46 114.15 1weo n PHE 18 Ca 0.38 -0.26 -0.38 0.00 1.01 0.00 0.00 57.45 58.20 1weo n PHE 18 Cb 1.82 -2.76 0.03 0.00 -0.01 0.00 0.00 39.48 38.56 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 0.33 0.60 -0.06 0.00 -0.58 -0.40 -3.16 120.64 117.36 1weo n GLU 20 Ca 0.10 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1weo n GLU 20 Cb 0.48 -1.45 -0.09 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 0.00 0.00 0.01 -3.67 2.04 -1.93 -3.33 117.51 110.63 1weo h ILE 21 Ca -0.50 0.00 -0.42 0.00 1.00 0.00 0.00 64.86 64.95 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 -2.37 0.00 0.00 0.00 0.00 178.15 175.71 1weo n GLY 23 N 1.60 3.31 3.02 0.00 0.00 -1.19 -5.09 105.19 106.84 1weo n GLY 23 Ca -0.49 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 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 -5.35 -4.63 1.61 2.03 -1.26 -3.95 116.55 105.00 1weo n ASP 24 Ca 0.00 0.15 -0.41 0.00 0.52 0.00 0.00 54.79 55.05 1weo n ASP 24 Cb 0.00 -0.73 -0.05 0.00 -0.72 0.00 0.00 41.12 39.62 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 -2.06 4.09 -0.16 -0.67 0.74 -1.26 -0.73 119.66 119.61 1weo s GLN 25 Ca 0.40 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 56.21 1weo s GLN 25 Cb -0.13 -3.67 -0.07 0.00 1.10 0.00 0.00 33.01 30.24 1weo s GLN 25 CO 0.79 -0.53 2.13 -0.89 -0.55 0.00 0.00 175.29 176.25 1weo n ILE 26 N 5.31 0.45 0.00 -2.34 5.41 -1.23 -4.84 119.36 122.11 1weo n ILE 26 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1weo n ILE 26 Cb 0.48 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.06 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 5.45 -1.91 3.79 7.39 0.00 -1.26 -4.85 105.19 113.81 1weo n GLY 27 Ca 0.28 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 3.15 0.65 0.99 1.43 -1.26 -3.80 118.68 119.84 1weo s LEU 28 Ca 0.00 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1weo s LEU 28 Cb 0.00 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.67 1weo s LEU 28 CO 0.00 -0.62 0.96 0.42 0.23 0.00 0.00 176.35 177.34 1weo s THR 29 N -2.58 3.03 0.42 5.49 -4.23 0.13 -4.70 115.64 113.19 1weo s THR 29 Ca 0.42 -0.09 0.24 0.00 -1.18 0.00 0.00 61.69 61.08 1weo s THR 29 Cb 0.01 -3.25 0.44 0.00 1.34 0.00 0.00 72.50 71.04 1weo s THR 29 CO 0.24 -0.27 1.70 0.58 -0.54 0.00 0.00 174.62 176.32 1weo h VAL 30 N -0.39 0.32 0.00 2.29 2.07 -2.00 -1.20 116.25 117.33 1weo h VAL 30 Ca -0.45 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1weo h VAL 30 Cb 1.28 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1weo h VAL 30 CO 0.61 0.04 -0.23 -0.33 0.02 0.00 0.00 177.57 177.68 1weo h GLU 31 N 0.23 0.00 0.00 1.57 3.07 -2.03 -3.49 114.58 113.92 1weo h GLU 31 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1weo h GLU 31 Cb 2.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.97 1weo h GLU 31 CO -0.36 0.73 0.00 0.41 -1.40 0.00 0.00 179.01 178.39 1weo n GLY 32 N 1.62 0.83 3.50 -3.84 0.00 -0.45 -5.15 105.19 101.70 1weo n GLY 32 Ca -0.11 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.14 -4.72 1.61 9.92 -1.26 -4.07 116.55 116.88 1weo n ASP 33 Ca 0.00 0.19 -0.42 0.00 -0.53 0.00 0.00 54.79 54.03 1weo n ASP 33 Cb 0.00 -1.29 -0.03 0.00 -0.64 0.00 0.00 41.12 39.16 1weo n ASP 33 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1weo s LEU 34 N -4.58 4.38 -0.59 0.64 1.98 -1.26 0.17 118.68 119.42 1weo s LEU 34 Ca 0.63 2.38 -0.26 0.00 -2.89 0.00 0.00 54.13 53.99 1weo s LEU 34 Cb -0.22 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.01 1weo s LEU 34 CO 0.63 -0.65 1.97 0.12 -1.89 0.00 0.00 176.35 176.53 1weo s PHE 35 N 0.88 1.55 -0.96 5.38 5.36 -1.25 -4.77 117.98 124.17 1weo s PHE 35 Ca 0.63 0.94 -0.16 0.00 -0.96 0.00 0.00 56.93 57.38 1weo s PHE 35 Cb -0.38 -3.99 0.17 0.00 -0.34 0.00 0.00 43.02 38.48 1weo s PHE 35 CO 0.32 -2.34 1.08 0.08 -1.46 0.00 0.00 175.22 172.90 1weo s VAL 36 N 9.71 5.10 0.09 3.12 1.01 -1.26 -4.84 120.40 133.33 1weo s VAL 36 Ca 0.73 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1weo s VAL 36 Cb -0.13 -4.71 -0.13 0.00 0.00 0.00 0.00 36.38 31.41 1weo s VAL 36 CO 0.21 -1.38 1.48 0.00 0.00 0.00 0.00 175.10 175.41 1weo h ALA 37 N 8.15 -0.95 -2.92 5.51 0.00 -1.83 -3.43 119.26 123.79 1weo h ALA 37 Ca 0.17 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.36 1weo h ALA 37 Cb 0.99 0.83 -0.13 0.00 0.00 0.00 0.00 17.79 19.49 1weo h ALA 37 CO 1.03 -1.06 -0.69 0.00 0.00 0.00 0.00 179.25 178.53 1weo n ASN 39 N -0.06 2.46 -0.17 0.00 2.85 -1.26 -4.28 115.26 114.81 1weo n ASN 39 Ca -0.10 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.26 1weo n ASN 39 Cb 0.55 0.04 -0.07 0.00 1.24 0.00 0.00 39.78 41.55 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 -0.30 0.00 1.20 4.57 -1.99 -3.25 114.58 114.81 1weo h GLU 40 Ca 0.00 0.02 -0.39 0.00 -1.18 0.00 0.00 59.36 57.81 1weo h GLU 40 Cb 0.60 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 1weo h GLU 40 CO 0.00 -0.20 -2.47 0.00 -1.18 0.00 0.00 179.01 175.16 1weo n GLY 42 N 2.22 0.95 3.67 0.00 0.00 -1.23 -5.08 105.19 105.72 1weo n GLY 42 Ca -0.45 0.00 -0.42 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 -1.89 3.44 -0.46 1.61 5.36 -1.26 -4.99 117.98 119.79 1weo s PHE 43 Ca 0.00 1.36 -0.28 0.00 -0.96 0.00 0.00 56.93 57.05 1weo s PHE 43 Cb 0.00 -3.07 -0.02 0.00 -0.34 0.00 0.00 43.02 39.59 1weo s PHE 43 CO 0.00 -0.25 1.77 -1.25 -1.46 0.00 0.00 175.22 174.03 1weo s PRO 44 N 2.17 3.08 -0.14 10.12 0.04 -1.26 -3.85 135.00 145.16 1weo s PRO 44 Ca 0.41 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 1weo s PRO 44 Cb -0.17 -4.25 0.04 0.00 0.04 0.00 0.00 34.50 30.16 1weo s PRO 44 CO 0.13 -2.18 0.01 0.00 0.04 0.00 0.00 177.00 175.00 1weo s ALA 45 N 7.58 0.95 1.08 8.56 0.00 -1.26 -1.28 121.76 137.39 1weo s ALA 45 Ca 0.72 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1weo s ALA 45 Cb -0.17 -0.99 0.17 0.00 0.00 0.00 0.00 23.12 22.13 1weo s ALA 45 CO 0.28 -0.81 0.39 0.00 0.00 0.00 0.00 175.76 175.62 1weo h ARG 47 N 0.00 -0.19 -0.06 0.00 2.43 -1.97 -2.12 114.38 112.47 1weo h ARG 47 Ca -0.18 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1weo h ARG 47 Cb 0.60 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1weo h ARG 47 CO 0.11 0.19 0.00 -0.35 -1.51 0.00 0.00 179.97 178.41 1weo n PRO 48 N -4.99 0.49 -0.01 0.20 -0.04 -1.26 -1.64 135.00 127.75 1weo n PRO 48 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 1weo n PRO 48 Cb 0.24 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.52 -0.34 0.00 5.03 -1.12 -3.29 116.97 117.77 1weo h TYR 50 Ca -0.06 -0.38 0.03 0.00 2.58 0.00 0.00 58.73 60.91 1weo h TYR 50 Cb 1.09 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 39.32 1weo h TYR 50 CO 0.00 1.49 0.16 0.93 -1.32 0.00 0.00 178.16 179.42 1weo h GLU 51 N -0.28 0.32 -0.84 1.82 3.07 -1.56 -1.99 114.58 115.13 1weo h GLU 51 Ca -0.26 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.69 1weo h GLU 51 Cb 1.77 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 29.54 1weo h GLU 51 CO 0.10 0.21 0.54 -0.92 -1.40 0.00 0.00 179.01 177.55 1weo h TYR 52 N 0.33 0.83 -0.90 4.33 3.20 -1.77 -0.72 116.97 122.28 1weo h TYR 52 Ca 0.15 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.16 1weo h TYR 52 Cb 0.07 -0.27 -0.09 0.00 1.54 0.00 0.00 36.73 37.99 1weo h TYR 52 CO -0.11 0.37 0.52 1.49 -1.64 0.00 0.00 178.16 178.79 1weo h GLU 53 N 0.76 0.77 0.03 1.82 4.57 -1.42 0.37 114.58 121.49 1weo h GLU 53 Ca 0.39 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 58.29 1weo h GLU 53 Cb 0.50 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1weo h GLU 53 CO -0.16 0.51 -1.14 0.00 -1.18 0.00 0.00 179.01 177.04 1weo h ARG 54 N 0.80 0.07 0.01 1.92 3.08 -1.19 -1.11 114.38 117.95 1weo h ARG 54 Ca 0.46 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 1weo h ARG 54 Cb 0.53 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1weo h ARG 54 CO -0.30 1.01 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.52 1weo h ARG 55 N 0.02 -0.01 0.00 0.04 1.12 0.04 -3.42 114.38 112.17 1weo h ARG 55 Ca -0.07 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.58 1weo h ARG 55 Cb 1.85 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.77 1weo h ARG 55 CO 0.14 -0.01 -1.84 0.39 -3.11 0.00 0.00 179.97 175.55 1weo n GLU 56 N -2.04 1.97 0.00 0.20 1.02 -0.02 -4.97 120.64 116.82 1weo n GLU 56 Ca -0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1weo n GLU 56 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 2.26 -2.79 1.09 0.62 0.00 -0.40 -4.91 105.19 101.05 1weo n GLY 57 Ca -0.20 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.69 2.44 -3.31 2.61 -2.24 -0.94 -4.73 114.28 106.43 1weo n THR 58 Ca 0.00 -2.12 -0.23 0.00 -2.27 0.00 0.00 64.05 59.43 1weo n THR 58 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.69 -3.58 -4.42 -0.78 6.02 -0.57 -4.95 117.38 108.41 1weo n GLN 59 Ca 0.27 0.53 -0.22 0.00 -0.01 0.00 0.00 57.00 57.58 1weo n GLN 59 Cb 0.99 -5.26 -0.16 0.00 1.02 0.00 0.00 30.24 26.84 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 -2.71 1.34 0.24 1.08 0.01 -1.26 -2.52 114.94 111.12 1weo s ASN 60 Ca 0.38 -0.21 -0.31 0.00 -0.71 0.00 0.00 52.86 52.01 1weo s ASN 60 Cb -0.20 -0.48 -0.12 0.00 0.41 0.00 0.00 41.25 40.87 1weo s ASN 60 CO 0.47 0.04 1.67 0.00 -1.51 0.00 0.00 177.10 177.77 1weo n PRO 62 N 3.32 0.49 0.00 0.00 -0.04 -1.26 0.24 135.00 137.75 1weo n PRO 62 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1weo n PRO 62 Cb 0.36 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.00 -0.00 0.54 7.27 -1.26 -4.85 117.38 118.31 1weo n GLN 63 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1weo n GLN 63 Cb 0.03 -0.82 -0.00 0.00 2.41 0.00 0.00 30.24 31.86 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 -1.19 -4.49 -3.71 0.00 4.76 0.67 -4.82 118.16 109.38 1weo n LYS 65 Ca 0.00 0.63 -0.24 0.00 -2.87 0.00 0.00 58.31 55.82 1weo n LYS 65 Cb 0.01 -5.15 -0.02 0.00 -1.84 0.00 0.00 35.03 28.03 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 -3.63 5.20 0.10 -0.18 2.01 -1.26 -4.48 115.64 113.40 1weo s THR 66 Ca 0.07 -0.61 -0.31 0.00 0.31 0.00 0.00 61.69 61.15 1weo s THR 66 Cb -0.02 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 1weo s THR 66 CO 0.81 -0.32 1.88 0.00 -0.69 0.00 0.00 174.62 176.30 1weo s ARG 67 N -3.80 4.13 0.99 4.92 1.70 -1.26 -3.18 118.95 122.45 1weo s ARG 67 Ca 0.37 2.62 -0.16 0.00 -0.47 0.00 0.00 55.73 58.09 1weo s ARG 67 Cb -0.10 -3.77 0.20 0.00 -0.57 0.00 0.00 34.95 30.71 1weo s ARG 67 CO 0.31 -0.88 1.23 0.71 -1.08 0.00 0.00 175.30 175.58 1weo s TYR 68 N 3.26 1.63 -0.08 5.89 1.51 -1.05 -5.01 117.35 123.50 1weo s TYR 68 Ca 0.84 0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 57.33 1weo s TYR 68 Cb -0.45 -3.78 0.03 0.00 -0.11 0.00 0.00 41.96 37.65 1weo s TYR 68 CO 0.38 -2.80 0.22 -1.59 -1.11 0.00 0.00 175.55 170.64 1weo s LYS 69 N -5.64 0.23 -0.17 -0.62 0.00 -1.26 -5.10 119.74 107.17 1weo s LYS 69 Ca 0.70 0.36 -0.36 0.00 0.00 0.00 0.00 55.97 56.67 1weo s LYS 69 Cb -0.08 0.04 -0.13 0.00 0.00 0.00 0.00 37.83 37.67 1weo s LYS 69 CO 0.53 -0.07 1.89 -2.13 0.00 0.00 0.00 175.35 175.57 1weo n ARG 70 N 3.36 1.79 -1.97 1.78 0.63 -1.26 -4.96 116.66 116.03 1weo n ARG 70 Ca -0.17 0.64 -0.09 0.00 -0.92 0.00 0.00 57.85 57.31 1weo n ARG 70 Cb 0.57 -2.50 0.03 0.00 0.45 0.00 0.00 32.46 31.00 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 6.80 0.00 0.00 6.15 4.77 -1.25 -5.01 117.00 128.46 1weo n LEU 71 Ca 0.26 -1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.01 1weo n LEU 71 Cb 0.25 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1weo n LEU 71 CO 0.76 -0.57 0.70 0.08 -1.33 0.00 0.00 177.39 177.03 1weo h ARG 72 N 0.00 -0.30 0.00 3.23 0.11 -2.02 -3.30 114.38 112.09 1weo h ARG 72 Ca -0.12 0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1weo h ARG 72 Cb 0.55 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1weo h ARG 72 CO 0.18 -0.20 -0.04 0.78 0.10 0.00 0.00 179.97 180.79 1weo h GLY 73 N -0.31 0.00 -5.43 0.08 0.00 -2.00 -3.45 103.07 91.97 1weo h GLY 73 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.03 1weo h GLY 73 CO -0.30 0.00 1.35 1.44 0.00 0.00 0.00 176.54 179.03 1weo n SER 74 N -4.52 0.24 -4.23 0.19 7.64 -1.24 -4.85 113.62 106.84 1weo n SER 74 Ca -0.01 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.74 1weo n SER 74 Cb 0.02 -0.71 0.21 0.00 -1.01 0.00 0.00 64.21 62.72 1weo n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1weo s PRO 75 N 6.86 -0.49 0.57 1.43 0.04 -1.26 -3.92 135.00 138.23 1weo s PRO 75 Ca 1.05 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.09 1weo s PRO 75 Cb -0.99 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1weo s PRO 75 CO 0.39 -3.28 1.05 -2.13 0.04 0.00 0.00 177.00 173.06 1weo n ARG 76 N -4.51 1.10 -2.88 4.56 3.00 -1.26 -4.97 116.66 111.70 1weo n ARG 76 Ca 0.09 0.42 -0.08 0.00 -0.00 0.00 0.00 57.85 58.28 1weo n ARG 76 Cb 0.58 -2.23 -0.02 0.00 0.00 0.00 0.00 32.46 30.80 1weo n ARG 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1weo n VAL 77 N -1.44 0.00 -3.89 5.15 0.24 -1.26 -4.61 118.33 112.53 1weo n VAL 77 Ca 0.13 -0.99 -0.33 0.00 -2.04 0.00 0.00 64.34 61.11 1weo n VAL 77 Cb 0.46 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.30 -0.79 0.00 7.34 1.02 -1.26 -3.52 120.64 123.12 1weo n GLU 78 Ca 0.01 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1weo n GLU 78 Cb 0.30 -3.60 0.00 0.00 -0.02 0.00 0.00 31.44 28.13 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 -1.07 0.00 0.02 0.62 0.00 -1.25 -5.00 105.19 98.51 1weo n GLY 79 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.40 0.00 1.61 2.03 -1.23 -4.88 116.55 114.48 1weo n ASP 80 Ca 0.00 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1weo n ASP 80 Cb 0.00 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1weo n ASP 80 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1weo n GLU 81 N -2.90 1.40 -3.76 -0.67 2.13 -1.26 -5.04 120.64 110.54 1weo n GLU 81 Ca -0.03 -0.19 -0.17 0.00 0.66 0.00 0.00 57.16 57.44 1weo n GLU 81 Cb 0.11 -0.61 -0.06 0.00 0.27 0.00 0.00 31.44 31.14 1weo n GLU 81 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1weo n ASP 82 N -0.25 0.04 -3.67 4.31 5.68 -1.26 -5.18 116.55 116.22 1weo n ASP 82 Ca 0.00 -2.68 -0.15 0.00 -0.50 0.00 0.00 54.79 51.46 1weo n ASP 82 Cb 0.05 1.12 -0.08 0.00 -1.14 0.00 0.00 41.12 41.07 1weo n ASP 82 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1weo s GLU 83 N -3.10 0.76 0.05 0.11 2.12 -1.26 -3.77 118.70 113.61 1weo s GLU 83 Ca 0.26 0.28 -0.28 0.00 0.36 0.00 0.00 54.97 55.58 1weo s GLU 83 Cb 0.01 0.36 -0.15 0.00 0.26 0.00 0.00 34.13 34.61 1weo s GLU 83 CO 0.18 -0.18 0.69 -0.85 -0.54 0.00 0.00 175.26 174.56 1weo n GLU 84 N 1.74 0.00 -3.97 4.30 0.28 -1.26 -4.92 120.64 116.81 1weo n GLU 84 Ca -0.18 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.48 1weo n GLU 84 Cb 0.56 -1.04 -0.14 0.00 1.43 0.00 0.00 31.44 32.25 1weo n GLU 84 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1weo s ASP 85 N -0.25 4.51 0.06 -1.84 -1.08 -1.26 -5.07 116.67 111.74 1weo s ASP 85 Ca 0.64 -1.12 -0.24 0.00 -0.52 0.00 0.00 52.55 51.30 1weo s ASP 85 Cb -0.90 -1.65 -0.13 0.00 -1.46 0.00 0.00 42.92 38.78 1weo s ASP 85 CO 0.44 -0.19 0.58 2.30 0.52 0.00 0.00 175.17 178.83 1weo n ILE 86 N 4.60 0.58 -3.73 4.11 -5.35 -1.26 -4.94 119.36 113.37 1weo n ILE 86 Ca -0.15 -0.14 -0.27 0.00 -0.27 0.00 0.00 62.75 61.92 1weo n ILE 86 Cb 0.45 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.18 1weo n ILE 86 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1weo s ASP 87 N -0.29 2.69 -0.82 7.28 -1.08 -1.26 -5.09 116.67 118.10 1weo s ASP 87 Ca 0.55 -0.71 -0.24 0.00 -0.52 0.00 0.00 52.55 51.64 1weo s ASP 87 Cb -0.78 -0.55 0.06 0.00 -1.46 0.00 0.00 42.92 40.19 1weo s ASP 87 CO 0.39 -0.29 1.24 -0.55 0.52 0.00 0.00 175.17 176.48 1weo s SER 88 N 1.90 6.32 0.00 -0.34 0.15 -1.26 -4.74 113.70 115.72 1weo s SER 88 Ca 0.00 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1weo s SER 88 Cb -0.16 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1weo s SER 88 CO -0.08 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.41 1weo n GLY 89 N 5.80 0.37 3.70 9.45 0.00 -1.26 -5.17 105.19 118.08 1weo n GLY 89 Ca 0.12 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.87 -1.47 1.61 0.04 -1.26 -3.90 135.00 130.89 1weo s PRO 90 Ca 0.00 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1weo s PRO 90 Cb 0.00 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.83 1weo s PRO 90 CO 0.00 -2.47 1.03 0.45 0.04 0.00 0.00 177.00 176.05 1weo n SER 91 N -4.02 -5.02 -3.91 6.66 2.88 -1.26 -4.95 113.62 104.00 1weo n SER 91 Ca 0.06 -0.72 -0.30 0.00 -1.33 0.00 0.00 58.87 56.59 1weo n SER 91 Cb 0.56 -4.21 -0.14 0.00 -0.75 0.00 0.00 64.21 59.67 1weo n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1weo s SER 92 N -3.38 4.22 0.00 -3.46 0.15 -1.25 -5.31 113.70 104.67 1weo s SER 92 Ca 0.61 -3.00 0.11 0.00 0.70 0.00 0.00 55.95 54.37 1weo s SER 92 Cb -0.29 -1.54 0.09 0.00 -1.71 0.00 0.00 66.02 62.57 1weo s SER 92 CO 0.80 -0.23 0.84 0.61 1.20 0.00 0.00 173.24 176.47