#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 -0.34 0.20 1.61 1.04 -1.26 -5.19 113.70 109.77 1weo s SER 2 Ca 0.00 0.63 -0.22 0.00 0.48 0.00 0.00 55.95 56.84 1weo s SER 2 Cb 0.00 0.74 0.07 0.00 0.10 0.00 0.00 66.02 66.93 1weo s SER 2 CO 0.00 -0.11 1.00 -0.55 0.98 0.00 0.00 173.24 174.56 1weo s SER 3 N 0.40 -0.03 0.00 7.02 0.15 -1.26 -5.19 113.70 114.79 1weo s SER 3 Ca 0.02 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1weo s SER 3 Cb -0.05 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1weo s SER 3 CO -0.10 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 173.88 1weo n GLY 4 N -0.64 2.24 3.64 9.45 0.00 -1.26 -5.17 105.19 113.45 1weo n GLY 4 Ca -0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -0.72 -0.29 1.61 1.04 -1.26 -5.16 113.70 108.92 1weo s SER 5 Ca 0.00 1.18 -0.16 0.00 0.48 0.00 0.00 55.95 57.46 1weo s SER 5 Cb 0.00 1.28 0.16 0.00 0.10 0.00 0.00 66.02 67.56 1weo s SER 5 CO 0.00 -0.19 1.00 -0.55 0.98 0.00 0.00 173.24 174.48 1weo s SER 6 N 1.29 -0.52 0.07 7.02 0.15 -1.26 -5.18 113.70 115.27 1weo s SER 6 Ca -0.08 0.77 -0.01 0.00 0.70 0.00 0.00 55.95 57.33 1weo s SER 6 Cb -0.04 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1weo s SER 6 CO -0.15 -0.11 0.11 0.61 1.20 0.00 0.00 173.24 174.90 1weo n GLY 7 N 4.28 2.58 3.58 9.45 0.00 -1.26 -5.18 105.19 118.65 1weo n GLY 7 Ca -0.14 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.11 -1.48 0.15 1.61 0.04 -1.26 -4.92 135.00 127.02 1weo s PRO 8 Ca 0.05 -0.15 -0.32 0.00 0.04 0.00 0.00 61.00 60.62 1weo s PRO 8 Cb -0.00 -1.57 -0.11 0.00 0.04 0.00 0.00 34.50 32.85 1weo s PRO 8 CO 0.04 -3.87 1.78 1.63 0.04 0.00 0.00 177.00 176.62 1weo n LYS 9 N -4.85 2.73 -1.05 4.56 4.76 -1.26 -4.98 118.16 118.07 1weo n LYS 9 Ca 0.14 0.99 -0.30 0.00 -2.87 0.00 0.00 58.31 56.27 1weo n LYS 9 Cb 0.60 -2.86 0.26 0.00 -1.84 0.00 0.00 35.03 31.18 1weo n LYS 9 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1weo n PRO 10 N 4.87 -3.20 -1.53 1.97 -0.04 -1.26 -4.89 135.00 130.92 1weo n PRO 10 Ca 0.17 -1.77 -0.55 0.00 -0.04 0.00 0.00 63.50 61.31 1weo n PRO 10 Cb 0.36 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 1weo n PRO 10 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1weo n LEU 11 N 0.00 0.61 -2.89 1.53 -0.00 -1.26 -4.71 117.00 110.27 1weo n LEU 11 Ca 0.15 1.14 -0.32 0.00 -0.00 0.00 0.00 56.01 56.98 1weo n LEU 11 Cb 0.60 -1.04 -0.02 0.00 -0.00 0.00 0.00 43.42 42.95 1weo n LEU 11 CO 0.41 -1.65 0.03 0.29 -0.00 0.00 0.00 177.39 176.48 1weo n LYS 12 N 1.81 0.00 -1.07 1.96 4.76 -1.26 -4.42 118.16 119.93 1weo n LYS 12 Ca 0.19 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.19 1weo n LYS 12 Cb 0.15 -0.69 -0.07 0.00 -1.84 0.00 0.00 35.03 32.58 1weo n LYS 12 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1weo n ASN 13 N 1.28 0.72 -1.70 4.39 0.23 -1.26 -4.73 115.26 114.19 1weo n ASN 13 Ca 0.12 0.70 -0.08 0.00 -0.53 0.00 0.00 54.58 54.78 1weo n ASN 13 Cb 0.15 -0.59 0.02 0.00 -2.08 0.00 0.00 39.78 37.28 1weo n ASN 13 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1weo n LEU 14 N 3.32 5.90 -0.28 -4.53 4.32 -1.26 -4.69 117.00 119.79 1weo n LEU 14 Ca 0.25 -2.86 -0.07 0.00 -0.02 0.00 0.00 56.01 53.31 1weo n LEU 14 Cb -0.04 -1.09 -0.07 0.00 -1.62 0.00 0.00 43.42 40.61 1weo n LEU 14 CO 0.60 1.12 0.34 -0.90 -1.22 0.00 0.00 177.39 177.32 1weo n ASP 15 N 0.91 -0.70 0.00 -1.43 5.75 -1.26 -4.83 116.55 114.99 1weo n ASP 15 Ca 0.15 1.22 0.00 0.00 -0.01 0.00 0.00 54.79 56.15 1weo n ASP 15 Cb 0.54 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1weo n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1weo n GLY 16 N -1.16 0.67 0.61 6.12 0.00 -1.26 -4.96 105.19 105.20 1weo n GLY 16 Ca 0.01 0.00 0.44 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.77 1.61 6.02 -1.26 -4.30 117.38 117.68 1weo n GLN 17 Ca 0.00 0.95 -0.42 0.00 -0.01 0.00 0.00 57.00 57.52 1weo n GLN 17 Cb 0.00 -2.23 -0.03 0.00 1.02 0.00 0.00 30.24 29.00 1weo n GLN 17 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1weo s PHE 18 N -4.56 1.61 0.71 1.08 0.40 -1.26 -3.29 117.98 112.67 1weo s PHE 18 Ca -0.04 -0.21 -0.16 0.00 -0.60 0.00 0.00 56.93 55.91 1weo s PHE 18 Cb 0.22 -4.14 -0.06 0.00 0.51 0.00 0.00 43.02 39.55 1weo s PHE 18 CO 0.73 -4.98 0.37 0.00 0.70 0.00 0.00 175.22 172.03 1weo n GLU 20 N -0.25 0.48 -0.07 0.00 -0.58 -0.41 -3.40 120.64 116.40 1weo n GLU 20 Ca 0.09 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.84 1weo n GLU 20 Cb 0.50 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.93 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 -0.09 0.00 0.00 -3.67 2.04 -1.93 -3.33 117.51 110.53 1weo h ILE 21 Ca -0.44 0.00 -0.43 0.00 1.00 0.00 0.00 64.86 64.99 1weo h ILE 21 Cb 1.64 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 1weo h ILE 21 CO -0.10 0.00 -2.47 0.00 0.00 0.00 0.00 178.15 175.58 1weo n GLY 23 N 1.63 3.77 3.04 0.00 0.00 -1.22 -5.09 105.19 107.32 1weo n GLY 23 Ca -0.51 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.67 -4.63 1.61 8.00 -1.26 -3.67 116.55 114.93 1weo n ASP 24 Ca 0.00 0.92 -0.43 0.00 0.71 0.00 0.00 54.79 55.99 1weo n ASP 24 Cb 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 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 -0.90 3.77 -0.23 -1.24 0.74 -1.26 -1.75 119.66 118.79 1weo s GLN 25 Ca 0.56 1.67 -0.33 0.00 0.05 0.00 0.00 55.36 57.31 1weo s GLN 25 Cb -0.74 -4.05 -0.10 0.00 1.10 0.00 0.00 33.01 29.22 1weo s GLN 25 CO 0.53 -1.33 2.10 -0.89 -0.55 0.00 0.00 175.29 175.15 1weo n ILE 26 N 6.46 0.36 0.00 -2.34 5.41 -1.21 -4.85 119.36 123.20 1weo n ILE 26 Ca 0.19 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1weo n ILE 26 Cb 0.45 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 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 5.64 -2.80 3.71 7.39 0.00 -1.26 -4.85 105.19 113.01 1weo n GLY 27 Ca 0.32 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 2.84 0.82 0.99 1.43 -1.26 -3.97 118.68 119.53 1weo s LEU 28 Ca 0.00 -1.32 -0.10 0.00 -1.03 0.00 0.00 54.13 51.68 1weo s LEU 28 Cb 0.00 -1.07 0.13 0.00 0.03 0.00 0.00 46.19 45.28 1weo s LEU 28 CO 0.00 -0.61 1.15 0.42 0.23 0.00 0.00 176.35 177.55 1weo s THR 29 N -2.71 2.10 0.38 5.49 -4.23 0.13 -4.68 115.64 112.12 1weo s THR 29 Ca 0.31 -0.20 0.13 0.00 -1.18 0.00 0.00 61.69 60.75 1weo s THR 29 Cb 0.05 -2.90 0.35 0.00 1.34 0.00 0.00 72.50 71.34 1weo s THR 29 CO 0.17 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.67 1weo h VAL 30 N -1.06 0.73 0.00 2.29 2.07 -2.01 -2.65 116.25 115.62 1weo h VAL 30 Ca -0.43 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1weo h VAL 30 Cb 1.27 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1weo h VAL 30 CO 0.47 0.10 -0.32 -0.33 0.02 0.00 0.00 177.57 177.52 1weo h GLU 31 N 0.56 0.00 0.00 1.57 5.08 -2.04 -3.49 114.58 116.26 1weo h GLU 31 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1weo h GLU 31 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1weo h GLU 31 CO -0.22 0.78 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 1weo n GLY 32 N 1.60 0.57 3.57 -3.84 0.00 -1.00 -5.15 105.19 100.94 1weo n GLY 32 Ca -0.13 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.51 -4.70 1.61 8.00 -1.26 -4.10 116.55 115.59 1weo n ASP 33 Ca 0.00 0.41 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 1weo n ASP 33 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 39.70 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 -4.27 4.35 -0.87 0.64 1.98 -1.26 0.22 118.68 119.47 1weo s LEU 34 Ca 0.64 2.35 -0.25 0.00 -2.89 0.00 0.00 54.13 53.98 1weo s LEU 34 Cb -0.24 -3.57 -0.11 0.00 0.66 0.00 0.00 46.19 42.94 1weo s LEU 34 CO 0.61 -0.78 2.20 0.12 -1.89 0.00 0.00 176.35 176.60 1weo s PHE 35 N 2.13 1.43 -1.32 5.38 5.36 -1.25 -4.79 117.98 124.91 1weo s PHE 35 Ca 0.68 1.42 -0.17 0.00 -0.96 0.00 0.00 56.93 57.90 1weo s PHE 35 Cb -0.37 -3.69 0.06 0.00 -0.34 0.00 0.00 43.02 38.68 1weo s PHE 35 CO 0.30 -1.57 1.84 0.28 -1.46 0.00 0.00 175.22 174.60 1weo n VAL 36 N 8.42 3.79 -0.13 3.12 0.31 -1.26 -4.81 118.33 127.77 1weo n VAL 36 Ca 0.44 -3.84 -0.03 0.00 -0.01 0.00 0.00 64.34 60.90 1weo n VAL 36 Cb 0.45 -2.39 -0.03 0.00 -0.91 0.00 0.00 33.84 30.96 1weo n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1weo n ALA 37 N 8.13 -0.19 -2.85 3.52 0.00 -1.26 -3.98 120.51 123.88 1weo n ALA 37 Ca 0.49 0.26 -0.38 0.00 0.00 0.00 0.00 53.44 53.81 1weo n ALA 37 Cb 0.45 0.23 -0.12 0.00 0.00 0.00 0.00 19.45 20.01 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 4.99 4.66 0.03 0.00 2.85 -1.26 -3.76 115.26 122.77 1weo n ASN 39 Ca -0.14 -3.70 -0.00 0.00 -0.11 0.00 0.00 54.58 50.62 1weo n ASN 39 Cb 0.50 -0.82 -0.00 0.00 1.24 0.00 0.00 39.78 40.70 1weo n ASN 39 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1weo n GLU 40 N -1.06 0.02 -0.08 1.20 4.07 -1.26 -4.91 120.64 118.62 1weo n GLU 40 Ca 0.56 0.01 -0.16 0.00 -0.06 0.00 0.00 57.16 57.50 1weo n GLU 40 Cb 1.26 -0.38 -0.14 0.00 -0.06 0.00 0.00 31.44 32.12 1weo n GLU 40 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1weo n GLY 42 N 2.02 1.93 3.63 0.00 0.00 -1.25 -5.08 105.19 106.44 1weo n GLY 42 Ca -0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 2.69 -0.42 1.61 5.36 -1.26 -4.96 117.98 119.01 1weo s PHE 43 Ca 0.00 0.87 -0.28 0.00 -0.96 0.00 0.00 56.93 56.56 1weo s PHE 43 Cb 0.00 -3.90 -0.01 0.00 -0.34 0.00 0.00 43.02 38.77 1weo s PHE 43 CO 0.00 -1.71 1.74 -1.25 -1.46 0.00 0.00 175.22 172.54 1weo s PRO 44 N 4.15 3.21 -0.13 10.12 0.04 -1.26 -3.72 135.00 147.41 1weo s PRO 44 Ca 0.56 1.13 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1weo s PRO 44 Cb -0.17 -4.21 0.04 0.00 0.04 0.00 0.00 34.50 30.21 1weo s PRO 44 CO 0.23 -2.02 0.03 0.00 0.04 0.00 0.00 177.00 175.28 1weo s ALA 45 N 7.14 0.76 1.18 8.56 0.00 -1.26 -1.29 121.76 136.84 1weo s ALA 45 Ca 0.73 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 1weo s ALA 45 Cb -0.18 -0.94 0.22 0.00 0.00 0.00 0.00 23.12 22.22 1weo s ALA 45 CO 0.30 -0.82 0.50 0.00 0.00 0.00 0.00 175.76 175.74 1weo h ARG 47 N 0.00 -0.25 -0.24 0.00 2.43 -1.97 -2.05 114.38 112.30 1weo h ARG 47 Ca -0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1weo h ARG 47 Cb 0.76 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1weo h ARG 47 CO 0.14 0.09 0.00 -0.35 -1.51 0.00 0.00 179.97 178.34 1weo n PRO 48 N -5.04 0.49 0.00 0.20 -0.04 -1.26 -1.99 135.00 127.36 1weo n PRO 48 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1weo n PRO 48 Cb 0.24 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.06 0.00 5.03 -1.12 -3.25 116.97 117.69 1weo h TYR 50 Ca 0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1weo h TYR 50 Cb 0.89 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.14 1weo h TYR 50 CO 0.00 1.06 -0.40 0.93 -1.32 0.00 0.00 178.16 178.43 1weo h GLU 51 N -1.00 -0.53 -1.08 1.82 3.07 -1.65 -0.95 114.58 114.26 1weo h GLU 51 Ca -0.07 0.04 0.30 0.00 -0.50 0.00 0.00 59.36 59.13 1weo h GLU 51 Cb 1.03 0.12 -0.11 0.00 -0.84 0.00 0.00 28.75 28.95 1weo h GLU 51 CO -0.04 -0.35 0.68 -0.92 -1.40 0.00 0.00 179.01 176.98 1weo h TYR 52 N -0.55 0.70 -0.48 4.33 3.20 -1.77 0.15 116.97 122.56 1weo h TYR 52 Ca -0.00 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.98 1weo h TYR 52 Cb 0.56 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1weo h TYR 52 CO -0.44 -0.01 0.04 1.49 -1.64 0.00 0.00 178.16 177.60 1weo h GLU 53 N 0.35 0.16 0.00 1.82 4.57 -1.20 0.13 114.58 120.40 1weo h GLU 53 Ca 0.66 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 1weo h GLU 53 Cb 1.69 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 1weo h GLU 53 CO -0.37 0.10 0.00 0.00 -1.18 0.00 0.00 179.01 177.56 1weo h ARG 54 N 0.16 0.00 0.00 1.92 3.08 -0.54 -1.37 114.38 117.62 1weo h ARG 54 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1weo h ARG 54 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1weo h ARG 54 CO -0.36 0.00 0.00 -2.13 -1.07 0.00 0.00 179.97 176.41 1weo n ARG 55 N -2.58 0.00 -0.00 0.04 0.63 0.25 -4.73 116.66 110.27 1weo n ARG 55 Ca 0.04 0.19 0.05 0.00 -0.92 0.00 0.00 57.85 57.21 1weo n ARG 55 Cb 0.41 -0.71 -0.07 0.00 0.45 0.00 0.00 32.46 32.54 1weo n ARG 55 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1weo n GLU 56 N -1.07 2.00 0.00 -0.14 1.02 0.02 -5.00 120.64 117.47 1weo n GLU 56 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1weo n GLU 56 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.53 -3.06 0.15 0.62 0.00 -0.47 -4.93 105.19 99.02 1weo n GLY 57 Ca 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.08 0.00 -2.83 2.61 -2.24 -1.10 -4.89 114.28 105.76 1weo n THR 58 Ca 0.00 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 1weo n THR 58 Cb 0.00 1.08 0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.83 -3.49 -3.73 -0.78 6.02 -0.93 -5.02 117.38 108.62 1weo n GLN 59 Ca 0.04 0.56 -0.12 0.00 -0.01 0.00 0.00 57.00 57.47 1weo n GLN 59 Cb 0.27 -4.71 -0.11 0.00 1.02 0.00 0.00 30.24 26.71 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 -2.90 -0.42 0.06 1.08 0.01 -1.26 -4.26 114.94 107.25 1weo s ASN 60 Ca 0.23 0.78 -0.30 0.00 -0.71 0.00 0.00 52.86 52.86 1weo s ASN 60 Cb -0.10 0.76 -0.09 0.00 0.41 0.00 0.00 41.25 42.23 1weo s ASN 60 CO 0.28 -0.15 1.81 0.00 -1.51 0.00 0.00 177.10 177.53 1weo n PRO 62 N 6.49 0.49 -0.05 0.00 -0.04 -1.26 0.25 135.00 140.89 1weo n PRO 62 Ca 0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1weo n PRO 62 Cb 0.40 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.82 0.23 -0.00 0.54 7.27 -1.26 -4.82 117.38 118.52 1weo n GLN 63 Ca 0.07 0.08 0.01 0.00 0.07 0.00 0.00 57.00 57.23 1weo n GLN 63 Cb 0.03 -1.01 -0.01 0.00 2.41 0.00 0.00 30.24 31.66 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 -1.44 -5.00 -4.44 0.00 4.76 0.71 -4.91 118.16 107.83 1weo n LYS 65 Ca -0.00 0.65 -0.34 0.00 -2.87 0.00 0.00 58.31 55.75 1weo n LYS 65 Cb 0.03 -5.27 -0.11 0.00 -1.84 0.00 0.00 35.03 27.85 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 -3.62 4.04 0.04 -0.18 2.01 -1.26 -4.70 115.64 111.98 1weo s THR 66 Ca 0.02 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 1weo s THR 66 Cb -0.01 -2.71 -0.14 0.00 0.01 0.00 0.00 72.50 69.65 1weo s THR 66 CO 0.80 0.57 0.67 -2.11 -0.69 0.00 0.00 174.62 173.86 1weo n ARG 67 N 2.58 0.00 -0.70 4.92 1.85 -1.26 -4.11 116.66 119.94 1weo n ARG 67 Ca -0.18 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.54 1weo n ARG 67 Cb 0.53 -1.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.04 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 -3.78 -3.73 2.89 4.02 -1.26 -5.00 117.16 111.10 1weo n TYR 68 Ca 0.14 -0.49 -0.12 0.00 -0.01 0.00 0.00 57.90 57.42 1weo n TYR 68 Cb 0.09 -0.47 -0.12 0.00 -0.02 0.00 0.00 39.34 38.82 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 -4.21 0.30 -0.21 -0.72 0.00 -1.26 -5.12 119.74 108.52 1weo s LYS 69 Ca 0.32 0.55 -0.40 0.00 0.00 0.00 0.00 55.97 56.45 1weo s LYS 69 Cb -0.02 -0.00 -0.16 0.00 0.00 0.00 0.00 37.83 37.65 1weo s LYS 69 CO 0.23 -0.12 1.63 -2.13 0.00 0.00 0.00 175.35 174.96 1weo n ARG 70 N 3.81 1.04 -2.80 1.78 0.63 -1.26 -4.95 116.66 114.91 1weo n ARG 70 Ca -0.21 0.38 -0.15 0.00 -0.92 0.00 0.00 57.85 56.95 1weo n ARG 70 Cb 0.55 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.43 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 4.56 0.00 -0.02 6.15 4.77 -1.21 -5.06 117.00 126.20 1weo n LEU 71 Ca 0.25 -1.62 -0.16 0.00 -0.03 0.00 0.00 56.01 54.45 1weo n LEU 71 Cb 0.13 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1weo n LEU 71 CO 0.77 -0.45 0.34 0.03 -1.33 0.00 0.00 177.39 176.75 1weo h ARG 72 N 0.00 0.43 0.00 3.23 2.47 -2.01 -3.37 114.38 115.12 1weo h ARG 72 Ca -0.20 -0.39 -0.06 0.00 -1.26 0.00 0.00 59.98 58.07 1weo h ARG 72 Cb 0.72 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1weo h ARG 72 CO 0.31 1.04 -0.36 0.78 0.56 0.00 0.00 179.97 182.30 1weo h GLY 73 N -0.05 0.00 -6.52 0.04 0.00 -2.00 -3.44 103.07 91.10 1weo h GLY 73 Ca -0.05 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.71 1weo h GLY 73 CO 0.10 0.00 1.14 -1.35 0.00 0.00 0.00 176.54 176.43 1weo s SER 74 N -6.36 6.25 0.89 0.19 1.04 -1.26 -4.99 113.70 109.45 1weo s SER 74 Ca -0.21 1.24 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 1weo s SER 74 Cb -0.00 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.71 1weo s SER 74 CO 0.63 -1.43 1.09 -2.16 0.98 0.00 0.00 173.24 172.35 1weo s PRO 75 N 5.00 1.34 0.38 4.02 0.04 -1.26 -3.31 135.00 141.20 1weo s PRO 75 Ca 0.69 0.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1weo s PRO 75 Cb -0.20 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1weo s PRO 75 CO 0.31 -2.19 1.40 -2.13 0.04 0.00 0.00 177.00 174.43 1weo n ARG 76 N -3.85 2.41 -3.11 4.56 0.63 -1.26 -4.91 116.66 111.13 1weo n ARG 76 Ca 0.07 0.85 -0.10 0.00 -0.92 0.00 0.00 57.85 57.75 1weo n ARG 76 Cb 0.55 -2.54 -0.04 0.00 0.45 0.00 0.00 32.46 30.89 1weo n ARG 76 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1weo n VAL 77 N 0.29 0.00 -1.49 5.15 0.24 -1.26 -5.08 118.33 116.18 1weo n VAL 77 Ca 0.03 -1.21 -0.48 0.00 -2.04 0.00 0.00 64.34 60.64 1weo n VAL 77 Cb 0.38 0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 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 -0.33 1.29 0.00 7.34 4.71 -1.26 -2.80 120.64 129.59 1weo n GLU 78 Ca 0.03 0.34 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 1weo n GLU 78 Cb 0.31 -2.69 0.00 0.00 -1.01 0.00 0.00 31.44 28.05 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 6.33 3.24 3.67 0.62 0.00 -1.26 -5.10 105.19 112.69 1weo n GLY 79 Ca 0.39 -0.44 -0.51 0.00 0.00 0.00 0.00 46.02 45.46 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 2.78 -3.58 1.61 2.03 -1.12 -4.77 116.55 113.49 1weo n ASP 80 Ca 0.00 1.05 -0.47 0.00 0.52 0.00 0.00 54.79 55.89 1weo n ASP 80 Cb 0.00 -1.30 -0.06 0.00 -0.72 0.00 0.00 41.12 39.04 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 4.76 0.00 -0.64 -0.67 4.07 -1.26 -4.84 120.64 122.05 1weo n GLU 81 Ca 0.21 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.00 1weo n GLU 81 Cb 0.24 -1.19 0.19 0.00 -0.06 0.00 0.00 31.44 30.61 1weo n GLU 81 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1weo n ASP 82 N 1.20 -2.12 -3.61 4.31 5.75 -1.26 -5.04 116.55 115.77 1weo n ASP 82 Ca 0.16 -0.06 -0.05 0.00 -0.01 0.00 0.00 54.79 54.83 1weo n ASP 82 Cb 0.06 -1.07 -0.03 0.00 -1.03 0.00 0.00 41.12 39.05 1weo n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1weo s GLU 83 N -3.71 0.29 -0.92 0.11 2.12 -1.26 -5.09 118.70 110.24 1weo s GLU 83 Ca 0.59 -0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.61 1weo s GLU 83 Cb -0.16 0.14 -0.20 0.00 0.26 0.00 0.00 34.13 34.16 1weo s GLU 83 CO 0.66 -0.11 2.65 0.39 -0.54 0.00 0.00 175.26 178.31 1weo n GLU 84 N 0.29 0.16 -4.10 4.30 1.02 -1.26 -4.83 120.64 116.22 1weo n GLU 84 Ca -0.02 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 1weo n GLU 84 Cb 0.58 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1weo n GLU 84 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1weo s ASP 85 N 9.33 0.41 -0.02 1.62 -1.08 -1.26 -5.13 116.67 120.54 1weo s ASP 85 Ca 1.30 -1.28 -0.30 0.00 -0.52 0.00 0.00 52.55 51.75 1weo s ASP 85 Cb -1.09 0.56 -0.04 0.00 -1.46 0.00 0.00 42.92 40.89 1weo s ASP 85 CO 0.46 -1.11 1.24 -0.63 0.52 0.00 0.00 175.17 175.65 1weo s ILE 86 N -3.70 4.08 -0.26 4.11 1.09 -1.26 -5.00 121.20 120.26 1weo s ILE 86 Ca 0.31 1.45 -0.02 0.00 -1.10 0.00 0.00 60.65 61.28 1weo s ILE 86 Cb 0.02 -3.93 0.15 0.00 -1.06 0.00 0.00 42.46 37.63 1weo s ILE 86 CO 0.15 0.03 0.43 1.51 -0.10 0.00 0.00 174.94 176.95 1weo s ASP 87 N 1.46 -0.11 0.27 3.58 1.47 -1.26 -5.03 116.67 117.06 1weo s ASP 87 Ca 0.58 0.31 0.01 0.00 1.18 0.00 0.00 52.55 54.63 1weo s ASP 87 Cb -0.27 1.34 0.62 0.00 -0.34 0.00 0.00 42.92 44.27 1weo s ASP 87 CO 0.25 -0.30 1.72 0.77 0.68 0.00 0.00 175.17 178.29 1weo h SER 88 N 8.14 0.36 -1.22 2.11 4.64 -2.08 -3.45 113.55 122.05 1weo h SER 88 Ca -0.19 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1weo h SER 88 Cb 1.15 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1weo h SER 88 CO 0.27 0.08 0.02 0.61 -0.87 0.00 0.00 176.83 176.94 1weo n GLY 89 N -1.33 1.96 1.50 -0.77 0.00 -1.26 -5.18 105.19 100.11 1weo n GLY 89 Ca 0.19 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.05 -1.95 -3.94 1.61 -0.04 -1.26 -5.10 135.00 124.27 1weo n PRO 90 Ca -0.01 -0.75 -0.09 0.00 -0.04 0.00 0.00 63.50 62.61 1weo n PRO 90 Cb 0.06 -0.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.75 1weo n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1weo s SER 91 N -2.77 -0.07 -0.08 3.54 0.01 -1.26 -5.17 113.70 107.89 1weo s SER 91 Ca 0.30 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 1weo s SER 91 Cb -0.03 0.52 0.04 0.00 0.21 0.00 0.00 66.02 66.76 1weo s SER 91 CO 0.23 -1.02 0.20 -0.94 0.41 0.00 0.00 173.24 172.12 1weo s SER 92 N -2.98 -0.19 0.00 2.44 1.04 -1.26 -5.33 113.70 107.43 1weo s SER 92 Ca 0.18 0.41 0.02 0.00 0.48 0.00 0.00 55.95 57.05 1weo s SER 92 Cb 0.01 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1weo s SER 92 CO 0.04 -0.15 0.56 0.61 0.98 0.00 0.00 173.24 175.28