#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9pcy s GLU 2 N 0.00 3.35 -0.30 3.23 2.12 -1.26 -0.83 118.70 125.01 9pcy s GLU 2 Ca 0.00 -0.25 -0.12 0.00 0.36 0.00 0.00 54.97 54.96 9pcy s GLU 2 Cb 0.00 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 9pcy s GLU 2 CO 0.00 -1.31 0.23 0.08 -0.54 0.00 0.00 175.26 173.72 9pcy s VAL 3 N 3.56 5.28 -0.19 3.70 1.01 0.70 -4.64 120.40 129.83 9pcy s VAL 3 Ca 0.29 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 9pcy s VAL 3 Cb -0.13 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 9pcy s VAL 3 CO 0.20 0.16 0.94 -0.76 0.00 0.00 0.00 175.10 175.64 9pcy s LEU 4 N 1.80 4.15 -0.95 3.92 1.43 0.55 -0.51 118.68 129.07 9pcy s LEU 4 Ca 0.08 1.30 -0.20 0.00 -1.03 0.00 0.00 54.13 54.28 9pcy s LEU 4 Cb -0.16 -3.40 0.11 0.00 0.03 0.00 0.00 46.19 42.77 9pcy s LEU 4 CO 0.11 -0.53 1.20 -0.76 0.23 0.00 0.00 176.35 176.60 9pcy s LEU 5 N 2.62 4.71 0.00 1.79 1.43 0.50 -0.83 118.68 128.91 9pcy s LEU 5 Ca 0.42 -1.92 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 9pcy s LEU 5 Cb -0.16 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.62 9pcy s LEU 5 CO 0.10 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.13 9pcy n GLY 6 N 5.80 2.71 2.64 -3.19 0.00 0.24 -1.07 105.19 112.31 9pcy n GLY 6 Ca 0.26 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 9pcy n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 9pcy n SER 7 N 0.00 2.07 0.00 1.61 3.41 -0.60 -4.62 113.62 115.50 9pcy n SER 7 Ca 0.00 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 9pcy n SER 7 Cb 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 9pcy n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 9pcy n GLY 8 N -0.21 0.74 1.69 5.00 0.00 -1.26 -4.57 105.19 106.58 9pcy n GLY 8 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 9pcy n GLY 8 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 9pcy n ASP 9 N 1.89 4.87 0.00 1.61 5.75 -1.26 -4.73 116.55 124.68 9pcy n ASP 9 Ca 0.00 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.46 9pcy n ASP 9 Cb 0.00 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 38.98 9pcy n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 9pcy n GLY 10 N 1.84 1.80 3.35 6.12 0.00 -1.26 -4.92 105.19 112.12 9pcy n GLY 10 Ca 0.12 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.61 9pcy n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 9pcy n SER 11 N 0.87 0.63 -3.67 1.61 2.88 -1.26 -4.27 113.62 110.40 9pcy n SER 11 Ca 0.00 0.48 -0.43 0.00 -1.33 0.00 0.00 58.87 57.59 9pcy n SER 11 Cb 0.00 -0.92 -0.03 0.00 -0.75 0.00 0.00 64.21 62.51 9pcy n SER 11 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 9pcy n LEU 12 N 8.72 5.47 -4.09 2.46 4.77 -1.26 -1.56 117.00 131.51 9pcy n LEU 12 Ca 0.59 -3.51 -0.12 0.00 -0.03 0.00 0.00 56.01 52.94 9pcy n LEU 12 Cb -0.00 -1.38 -0.11 0.00 -2.33 0.00 0.00 43.42 39.60 9pcy n LEU 12 CO 0.90 0.37 -0.39 0.68 -1.33 0.00 0.00 177.39 177.61 9pcy s VAL 13 N 4.11 0.53 -0.13 4.08 -7.23 -1.26 -3.90 120.40 116.59 9pcy s VAL 13 Ca 0.52 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 59.13 9pcy s VAL 13 Cb 0.14 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 9pcy s VAL 13 CO 0.02 -0.57 0.63 -0.36 -0.31 0.00 0.00 175.10 174.51 9pcy s PHE 14 N -2.16 3.48 -0.22 2.82 0.40 -1.26 -0.59 117.98 120.44 9pcy s PHE 14 Ca -0.03 1.05 0.02 0.00 -0.60 0.00 0.00 56.93 57.37 9pcy s PHE 14 Cb -0.05 -2.76 0.04 0.00 0.51 0.00 0.00 43.02 40.77 9pcy s PHE 14 CO -0.02 -0.01 -0.14 0.08 0.70 0.00 0.00 175.22 175.83 9pcy s VAL 15 N 1.24 2.03 0.46 -0.44 1.01 -0.01 -1.53 120.40 123.17 9pcy s VAL 15 Ca 0.32 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 9pcy s VAL 15 Cb -0.16 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 9pcy s VAL 15 CO 0.13 0.21 1.08 -2.16 0.00 0.00 0.00 175.10 174.37 9pcy s PRO 16 N 1.22 3.84 0.11 2.72 0.04 -1.26 -0.33 135.00 141.34 9pcy s PRO 16 Ca -0.03 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.56 9pcy s PRO 16 Cb -0.17 -2.29 -0.18 0.00 0.04 0.00 0.00 34.50 31.90 9pcy s PRO 16 CO -0.08 -0.43 1.25 0.77 0.04 0.00 0.00 177.00 178.55 9pcy h SER 17 N 1.91 0.27 -3.93 6.66 0.02 -1.61 -3.46 113.55 113.41 9pcy h SER 17 Ca -0.49 -0.26 -0.25 0.00 -0.84 0.00 0.00 61.79 59.95 9pcy h SER 17 Cb 1.23 -0.08 -0.27 0.00 0.14 0.00 0.00 62.40 63.41 9pcy h SER 17 CO 0.60 1.16 -0.73 -0.70 -1.14 0.00 0.00 176.83 176.02 9pcy s GLU 18 N -2.84 0.16 0.14 3.45 2.56 -1.26 -0.36 118.70 120.56 9pcy s GLU 18 Ca -0.02 -0.13 -0.25 0.00 0.00 0.00 0.00 54.97 54.57 9pcy s GLU 18 Cb 0.09 -0.11 0.07 0.00 2.00 0.00 0.00 34.13 36.18 9pcy s GLU 18 CO 0.85 0.03 1.02 -0.59 -0.56 0.00 0.00 175.26 176.01 9pcy s PHE 19 N -0.21 -0.06 -0.02 5.30 -0.71 -1.24 -5.01 117.98 116.02 9pcy s PHE 19 Ca -0.01 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 55.65 9pcy s PHE 19 Cb -0.02 0.65 -0.00 0.00 -1.21 0.00 0.00 43.02 42.44 9pcy s PHE 19 CO -0.00 -0.79 -0.08 -1.12 -1.34 0.00 0.00 175.22 171.88 9pcy s SER 20 N -3.08 1.04 0.04 1.98 0.01 -1.26 -0.44 113.70 111.99 9pcy s SER 20 Ca 0.15 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.25 9pcy s SER 20 Cb -0.01 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 9pcy s SER 20 CO 0.02 0.08 -0.03 0.68 0.41 0.00 0.00 173.24 174.40 9pcy s VAL 21 N 0.03 0.18 0.49 3.43 -7.23 0.34 -4.92 120.40 112.71 9pcy s VAL 21 Ca -0.00 -1.37 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 9pcy s VAL 21 Cb -0.06 -0.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 9pcy s VAL 21 CO -0.00 -0.75 1.01 -2.16 -0.31 0.00 0.00 175.10 172.89 9pcy s PRO 22 N -2.70 3.89 -0.01 4.82 0.04 -1.26 -0.62 135.00 139.16 9pcy s PRO 22 Ca -0.04 1.21 -0.37 0.00 0.04 0.00 0.00 61.00 61.84 9pcy s PRO 22 Cb -0.01 -2.12 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 9pcy s PRO 22 CO -0.05 -0.33 1.53 0.43 0.04 0.00 0.00 177.00 178.61 9pcy n SER 23 N -1.08 2.21 0.00 6.66 7.64 0.40 -1.32 113.62 128.12 9pcy n SER 23 Ca 0.08 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.05 9pcy n SER 23 Cb 0.53 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 9pcy n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 9pcy n GLY 24 N 3.26 0.35 3.76 0.23 0.00 0.25 -4.93 105.19 108.11 9pcy n GLY 24 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 9pcy n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 9pcy s GLU 25 N -0.84 4.15 -0.63 1.61 2.56 -0.43 -4.67 118.70 120.45 9pcy s GLU 25 Ca 0.00 2.51 -0.18 0.00 0.00 0.00 0.00 54.97 57.30 9pcy s GLU 25 Cb 0.00 -3.02 0.12 0.00 2.00 0.00 0.00 34.13 33.22 9pcy s GLU 25 CO 0.00 -0.54 0.73 0.15 -0.56 0.00 0.00 175.26 175.04 9pcy s LYS 26 N -1.04 3.12 0.15 4.30 1.02 -1.26 -1.86 119.74 124.17 9pcy s LYS 26 Ca 0.59 -1.45 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 9pcy s LYS 26 Cb -0.46 -4.33 -0.07 0.00 -0.52 0.00 0.00 37.83 32.45 9pcy s LYS 26 CO 0.52 -1.54 0.89 0.42 -0.92 0.00 0.00 175.35 174.73 9pcy s ILE 27 N 2.46 4.37 -0.32 2.17 1.01 0.11 -4.22 121.20 126.78 9pcy s ILE 27 Ca 0.13 1.95 0.04 0.00 0.00 0.00 0.00 60.65 62.76 9pcy s ILE 27 Cb -0.22 -4.26 0.09 0.00 0.01 0.00 0.00 42.46 38.08 9pcy s ILE 27 CO 0.04 0.42 0.01 -0.69 0.00 0.00 0.00 174.94 174.72 9pcy s VAL 28 N -0.62 2.19 -0.51 2.92 1.01 -0.01 -0.96 120.40 124.43 9pcy s VAL 28 Ca 0.42 -2.13 -0.23 0.00 0.00 0.00 0.00 61.98 60.04 9pcy s VAL 28 Cb -0.24 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.64 9pcy s VAL 28 CO 0.29 -0.46 0.83 -0.36 0.00 0.00 0.00 175.10 175.40 9pcy s PHE 29 N 0.98 2.90 -0.20 5.22 0.08 0.40 -0.21 117.98 127.16 9pcy s PHE 29 Ca 0.06 -0.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.97 9pcy s PHE 29 Cb -0.19 -3.85 -0.04 0.00 -0.57 0.00 0.00 43.02 38.37 9pcy s PHE 29 CO -0.08 -1.18 0.08 0.21 -0.10 0.00 0.00 175.22 174.15 9pcy s LYS 30 N 3.50 3.97 -0.28 0.44 2.20 0.34 -0.48 119.74 129.41 9pcy s LYS 30 Ca 0.27 -0.34 -0.28 0.00 -0.36 0.00 0.00 55.97 55.26 9pcy s LYS 30 Cb -0.14 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 9pcy s LYS 30 CO 0.19 0.21 2.13 -0.80 -0.36 0.00 0.00 175.35 176.72 9pcy s ASN 31 N 0.56 5.44 -0.00 1.43 -0.87 0.15 -0.37 114.94 121.28 9pcy s ASN 31 Ca 0.04 1.62 -0.00 0.00 -1.57 0.00 0.00 52.86 52.95 9pcy s ASN 31 Cb -0.13 -2.51 -0.00 0.00 -0.02 0.00 0.00 41.25 38.59 9pcy s ASN 31 CO 0.01 -2.01 -0.00 -3.20 -2.57 0.00 0.00 177.10 169.32 9pcy n ASN 32 N 11.85 0.01 -3.80 -1.22 2.85 -0.23 -0.63 115.26 124.08 9pcy n ASN 32 Ca 0.29 0.15 -0.09 0.00 -0.11 0.00 0.00 54.58 54.82 9pcy n ASN 32 Cb 0.47 -0.50 -0.04 0.00 1.24 0.00 0.00 39.78 40.94 9pcy n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 9pcy s ALA 33 N -3.00 -0.79 -1.63 5.20 0.00 -1.01 -4.76 121.76 115.78 9pcy s ALA 33 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 9pcy s ALA 33 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.01 9pcy s ALA 33 CO 0.00 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.35 9pcy n GLY 34 N -0.35 1.04 3.74 0.00 0.00 -1.26 -3.96 105.19 104.41 9pcy n GLY 34 Ca -0.08 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 9pcy n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 9pcy s PHE 35 N -2.67 2.43 0.80 1.61 -0.12 -1.26 -4.79 117.98 113.97 9pcy s PHE 35 Ca 0.00 1.10 -0.11 0.00 -0.05 0.00 0.00 56.93 57.87 9pcy s PHE 35 Cb 0.00 -3.21 0.07 0.00 -0.63 0.00 0.00 43.02 39.25 9pcy s PHE 35 CO 0.00 -2.35 1.09 -1.25 -0.05 0.00 0.00 175.22 172.65 9pcy s PRO 36 N -5.05 2.08 0.22 1.99 0.04 -1.26 -5.12 135.00 127.89 9pcy s PRO 36 Ca 0.63 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 9pcy s PRO 36 Cb -0.17 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 9pcy s PRO 36 CO 0.56 -1.74 0.42 -1.01 0.04 0.00 0.00 177.00 175.27 9pcy s HIS 37 N -2.93 0.35 0.37 0.56 3.76 -1.13 -4.92 115.29 111.34 9pcy s HIS 37 Ca 0.61 -0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 54.66 9pcy s HIS 37 Cb -0.17 0.12 0.05 0.00 1.11 0.00 0.00 32.58 33.69 9pcy s HIS 37 CO 0.56 -0.90 0.76 0.54 -0.85 0.00 0.00 174.74 174.85 9pcy s ASN 38 N -3.00 0.02 -0.10 1.40 4.22 -1.26 -0.11 114.94 116.11 9pcy s ASN 38 Ca 0.21 -1.09 -0.01 0.00 -2.14 0.00 0.00 52.86 49.82 9pcy s ASN 38 Cb 0.01 0.82 0.03 0.00 1.28 0.00 0.00 41.25 43.39 9pcy s ASN 38 CO 0.06 -1.62 -0.04 -0.69 -2.04 0.00 0.00 177.10 172.77 9pcy s VAL 39 N -2.59 0.74 -0.19 3.54 1.01 -1.26 -4.14 120.40 117.51 9pcy s VAL 39 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 9pcy s VAL 39 Cb -0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 9pcy s VAL 39 CO 0.11 0.29 -0.10 -0.69 0.00 0.00 0.00 175.10 174.71 9pcy s VAL 40 N 1.82 2.95 -0.14 2.92 1.01 0.52 -0.45 120.40 129.02 9pcy s VAL 40 Ca 0.05 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 9pcy s VAL 40 Cb -0.13 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 9pcy s VAL 40 CO -0.07 0.48 0.74 -0.36 0.00 0.00 0.00 175.10 175.88 9pcy s PHE 41 N 1.18 3.46 -0.45 5.22 0.08 -1.26 -0.52 117.98 125.68 9pcy s PHE 41 Ca 0.02 1.17 -0.27 0.00 0.12 0.00 0.00 56.93 57.97 9pcy s PHE 41 Cb -0.14 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 9pcy s PHE 41 CO -0.04 -0.12 2.11 0.34 -0.10 0.00 0.00 175.22 177.42 9pcy s ASP 42 N 1.06 5.10 0.44 1.36 2.15 0.51 -4.85 116.67 122.43 9pcy s ASP 42 Ca 0.36 1.05 0.27 0.00 0.43 0.00 0.00 52.55 54.65 9pcy s ASP 42 Cb -0.17 -2.51 1.33 0.00 -0.30 0.00 0.00 42.92 41.26 9pcy s ASP 42 CO 0.14 -2.38 1.69 1.05 -0.17 0.00 0.00 175.17 175.50 9pcy h GLU 43 N 16.34 0.18 0.00 4.34 9.09 -1.93 0.18 114.58 142.78 9pcy h GLU 43 Ca -0.29 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.10 9pcy h GLU 43 Cb 1.22 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 9pcy h GLU 43 CO 1.12 0.12 -0.04 0.22 0.05 0.00 0.00 179.01 180.48 9pcy h ASP 44 N 0.19 0.00 -2.18 3.06 3.58 -1.97 -3.37 116.42 115.73 9pcy h ASP 44 Ca 0.72 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.60 9pcy h ASP 44 Cb 2.20 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 42.86 9pcy h ASP 44 CO -0.33 0.04 -1.04 1.21 -2.88 0.00 0.00 179.24 176.23 9pcy n GLU 45 N -3.15 0.47 -3.53 0.28 2.13 0.62 -5.07 120.64 112.39 9pcy n GLU 45 Ca 0.00 -3.21 -0.13 0.00 0.66 0.00 0.00 57.16 54.49 9pcy n GLU 45 Cb 0.32 -1.44 -0.04 0.00 0.27 0.00 0.00 31.44 30.56 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 9pcy s ILE 46 N -0.60 0.03 -0.27 6.31 -4.36 -1.23 -1.16 121.20 119.91 9pcy s ILE 46 Ca 0.34 -0.22 -0.29 0.00 -0.26 0.00 0.00 60.65 60.23 9pcy s ILE 46 Cb 0.11 -1.03 -0.06 0.00 1.25 0.00 0.00 42.46 42.73 9pcy s ILE 46 CO -0.15 -0.12 2.25 -2.65 0.24 0.00 0.00 174.94 174.50 9pcy n PRO 47 N 0.04 1.74 -0.25 0.37 -0.02 -1.26 -4.84 135.00 130.78 9pcy n PRO 47 Ca -0.17 0.44 0.18 0.00 -2.02 0.00 0.00 63.50 61.93 9pcy n PRO 47 Cb 0.62 -3.15 0.34 0.00 -0.02 0.00 0.00 33.50 31.29 9pcy n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 9pcy n ALA 48 N 11.92 0.60 0.18 3.55 0.00 -1.26 -0.48 120.51 135.02 9pcy n ALA 48 Ca 0.32 0.79 0.13 0.00 0.00 0.00 0.00 53.44 54.68 9pcy n ALA 48 Cb 0.43 -0.69 0.69 0.00 0.00 0.00 0.00 19.45 19.88 9pcy n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 9pcy h GLY 49 N 0.00 0.00 -6.98 0.00 0.00 -2.01 -3.39 103.07 90.69 9pcy h GLY 49 Ca 0.56 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.29 9pcy h GLY 49 CO -0.64 0.00 0.64 0.14 0.00 0.00 0.00 176.54 176.68 9pcy s VAL 50 N -4.99 4.38 -0.15 4.60 1.01 0.37 -4.98 120.40 120.64 9pcy s VAL 50 Ca -0.05 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 9pcy s VAL 50 Cb 0.17 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 9pcy s VAL 50 CO 0.67 -1.00 2.11 -0.67 0.00 0.00 0.00 175.10 176.21 9pcy n ASP 51 N 7.45 3.41 -0.33 3.32 2.03 -1.26 -4.85 116.55 126.31 9pcy n ASP 51 Ca 0.05 0.52 0.17 0.00 0.52 0.00 0.00 54.79 56.05 9pcy n ASP 51 Cb 0.48 -1.49 0.38 0.00 -0.72 0.00 0.00 41.12 39.77 9pcy n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 9pcy h ALA 52 N 12.79 1.71 -0.01 -1.67 0.00 -1.91 0.12 119.26 130.30 9pcy h ALA 52 Ca -0.43 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 9pcy h ALA 52 Cb 1.25 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 9pcy h ALA 52 CO 0.96 -0.34 -0.03 0.28 0.00 0.00 0.00 179.25 180.13 9pcy h VAL 53 N 0.49 1.03 0.04 0.00 2.07 -1.89 0.18 116.25 118.16 9pcy h VAL 53 Ca 0.63 -0.11 -0.25 0.00 0.82 0.00 0.00 66.70 67.79 9pcy h VAL 53 Cb 1.24 1.05 0.02 0.00 -1.52 0.00 0.00 31.29 32.09 9pcy h VAL 53 CO -0.51 0.03 -1.01 0.11 0.02 0.00 0.00 177.57 176.21 9pcy h LYS 54 N 0.01 0.62 0.07 1.57 1.79 -1.13 -3.32 116.57 116.17 9pcy h LYS 54 Ca 0.00 -0.71 -0.24 0.00 -2.18 0.00 0.00 60.65 57.52 9pcy h LYS 54 Cb 0.06 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 9pcy h LYS 54 CO 0.00 1.30 -1.10 -0.84 -1.08 0.00 0.00 179.45 177.74 9pcy h ILE 55 N 0.24 1.53 -4.41 1.86 3.07 -1.36 -3.47 117.51 114.98 9pcy h ILE 55 Ca -0.14 -2.99 -0.50 0.00 1.55 0.00 0.00 64.86 62.78 9pcy h ILE 55 Cb 1.68 2.79 0.07 0.00 -0.27 0.00 0.00 36.82 41.09 9pcy h ILE 55 CO 0.20 0.87 0.41 -0.44 -1.05 0.00 0.00 178.15 178.14 9pcy s SER 56 N -7.02 5.73 -0.40 2.16 0.01 0.60 -4.90 113.70 109.89 9pcy s SER 56 Ca -0.03 1.29 -0.11 0.00 1.31 0.00 0.00 55.95 58.41 9pcy s SER 56 Cb 0.08 -2.20 0.05 0.00 0.21 0.00 0.00 66.02 64.17 9pcy s SER 56 CO 0.86 -1.18 0.24 -0.32 0.41 0.00 0.00 173.24 173.25 9pcy s MET 57 N -5.26 2.75 -0.58 12.44 1.75 0.41 -4.88 119.30 125.94 9pcy s MET 57 Ca 0.57 -1.24 -0.37 0.00 -1.25 0.00 0.00 55.69 53.40 9pcy s MET 57 Cb -0.11 -3.78 -0.18 0.00 2.84 0.00 0.00 34.83 33.60 9pcy s MET 57 CO 0.53 -0.82 2.11 -2.30 -0.65 0.00 0.00 175.02 173.90 9pcy n PRO 58 N 4.98 0.00 0.18 4.11 -0.02 -1.26 -4.26 135.00 138.74 9pcy n PRO 58 Ca -0.11 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.54 9pcy n PRO 58 Cb 0.45 -1.39 0.65 0.00 -0.02 0.00 0.00 33.50 33.19 9pcy n PRO 58 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 9pcy h GLU 59 N 9.04 0.00 -0.37 -0.52 4.11 -1.95 0.48 114.58 125.37 9pcy h GLU 59 Ca -0.08 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.38 9pcy h GLU 59 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 9pcy h GLU 59 CO 1.08 0.00 0.25 1.49 0.07 0.00 0.00 179.01 181.90 9pcy h GLU 60 N 0.00 0.38 -6.14 1.06 4.81 -2.04 -3.42 114.58 109.22 9pcy h GLU 60 Ca 0.13 -0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 58.80 9pcy h GLU 60 Cb 1.25 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 9pcy h GLU 60 CO -0.00 0.25 -0.56 -1.21 -0.73 0.00 0.00 179.01 176.76 9pcy s GLU 61 N -5.37 2.44 0.13 1.92 2.02 0.16 -5.16 118.70 114.85 9pcy s GLU 61 Ca -0.07 -1.44 -0.12 0.00 0.02 0.00 0.00 54.97 53.36 9pcy s GLU 61 Cb 0.18 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 32.18 9pcy s GLU 61 CO 0.72 0.20 0.32 -0.48 0.02 0.00 0.00 175.26 176.04 9pcy s LEU 62 N -3.81 0.84 -0.56 1.80 -0.00 -1.26 -4.78 118.68 110.90 9pcy s LEU 62 Ca 0.36 -0.58 -0.28 0.00 -0.00 0.00 0.00 54.13 53.63 9pcy s LEU 62 Cb -0.04 1.45 0.02 0.00 -0.00 0.00 0.00 46.19 47.62 9pcy s LEU 62 CO 0.23 -0.85 1.28 -0.76 -0.00 0.00 0.00 176.35 176.25 9pcy s LEU 63 N -2.87 3.44 -0.06 1.48 1.43 0.84 -4.91 118.68 118.03 9pcy s LEU 63 Ca 0.08 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 9pcy s LEU 63 Cb 0.03 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 9pcy s LEU 63 CO -0.08 -1.55 0.22 -1.13 0.23 0.00 0.00 176.35 174.04 9pcy h ASN 64 N 10.11 -0.14 -4.27 2.29 -1.24 -1.97 -3.00 115.58 117.36 9pcy h ASN 64 Ca -0.26 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.27 9pcy h ASN 64 Cb 1.07 0.04 0.04 0.00 0.73 0.00 0.00 38.32 40.20 9pcy h ASN 64 CO 1.18 0.23 0.39 0.00 -1.29 0.00 0.00 177.43 177.94 9pcy s ALA 65 N -3.05 3.01 0.98 1.57 0.00 -1.26 -4.52 121.76 118.48 9pcy s ALA 65 Ca -0.02 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 9pcy s ALA 65 Cb 0.00 -3.12 0.18 0.00 0.00 0.00 0.00 23.12 20.18 9pcy s ALA 65 CO 0.07 -0.56 1.09 -1.25 0.00 0.00 0.00 175.76 175.11 9pcy s PRO 66 N -4.57 0.55 0.00 0.00 0.04 -1.26 -3.64 135.00 126.12 9pcy s PRO 66 Ca 0.58 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.74 9pcy s PRO 66 Cb -0.11 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.72 9pcy s PRO 66 CO 0.42 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 175.06 9pcy n GLY 67 N -0.05 1.44 3.61 0.56 0.00 0.20 -4.94 105.19 106.00 9pcy n GLY 67 Ca 0.08 -0.03 -0.61 0.00 0.00 0.00 0.00 46.02 45.46 9pcy n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 9pcy n GLU 68 N 0.00 0.24 -4.28 1.61 1.02 -1.24 -4.22 120.64 113.77 9pcy n GLU 68 Ca 0.00 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 9pcy n GLU 68 Cb 0.00 -1.62 -0.12 0.00 -0.02 0.00 0.00 31.44 29.68 9pcy n GLU 68 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 9pcy s THR 69 N 1.30 3.85 -0.32 2.62 -4.23 -1.26 -0.68 115.64 116.93 9pcy s THR 69 Ca 0.95 -0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 61.02 9pcy s THR 69 Cb -1.29 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 69.86 9pcy s THR 69 CO 0.64 0.47 0.13 -0.47 -0.54 0.00 0.00 174.62 174.85 9pcy s TYR 70 N 0.64 3.18 -0.10 3.99 5.04 0.36 -4.94 117.35 125.53 9pcy s TYR 70 Ca -0.02 -0.87 -0.06 0.00 -2.44 0.00 0.00 57.07 53.68 9pcy s TYR 70 Cb -0.14 -2.32 -0.04 0.00 0.35 0.00 0.00 41.96 39.81 9pcy s TYR 70 CO 0.02 -0.56 0.14 0.08 -1.34 0.00 0.00 175.55 173.89 9pcy s VAL 71 N 1.54 5.41 -0.12 3.14 1.01 -1.26 -0.45 120.40 129.66 9pcy s VAL 71 Ca 0.03 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 9pcy s VAL 71 Cb -0.18 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.86 9pcy s VAL 71 CO 0.04 0.56 0.37 0.54 0.00 0.00 0.00 175.10 176.61 9pcy s VAL 72 N -1.08 0.01 -0.21 2.92 0.11 -0.13 -5.00 120.40 117.02 9pcy s VAL 72 Ca 0.17 -0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 9pcy s VAL 72 Cb -0.12 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 9pcy s VAL 72 CO 0.07 -0.04 0.01 -0.89 -3.33 0.00 0.00 175.10 170.92 9pcy s THR 73 N -0.03 3.96 -0.45 5.04 2.01 -1.26 0.06 115.64 124.97 9pcy s THR 73 Ca -0.02 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 9pcy s THR 73 Cb -0.03 -2.80 0.08 0.00 0.01 0.00 0.00 72.50 69.77 9pcy s THR 73 CO 0.01 0.41 0.32 -0.76 -0.69 0.00 0.00 174.62 173.91 9pcy s LEU 74 N 1.13 5.39 -0.17 4.42 1.43 -0.78 -4.95 118.68 125.16 9pcy s LEU 74 Ca 0.03 -1.52 -0.18 0.00 -1.03 0.00 0.00 54.13 51.43 9pcy s LEU 74 Cb -0.14 -2.05 -0.14 0.00 0.03 0.00 0.00 46.19 43.88 9pcy s LEU 74 CO 0.01 -0.60 0.19 0.44 0.23 0.00 0.00 176.35 176.63 9pcy h ASP 75 N 8.53 0.00 -2.84 2.29 5.19 -1.91 0.72 116.42 128.40 9pcy h ASP 75 Ca -0.25 -0.41 -0.53 0.00 -0.62 0.00 0.00 57.03 55.22 9pcy h ASP 75 Cb 1.09 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.63 9pcy h ASP 75 CO 0.82 1.12 0.86 -0.89 -3.12 0.00 0.00 179.24 178.03 9pcy s THR 76 N -2.22 2.99 0.87 0.35 2.01 -1.26 -4.24 115.64 114.13 9pcy s THR 76 Ca -0.21 0.64 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 9pcy s THR 76 Cb 0.03 -3.41 0.12 0.00 0.01 0.00 0.00 72.50 69.25 9pcy s THR 76 CO 0.45 0.03 1.11 -0.54 -0.69 0.00 0.00 174.62 174.98 9pcy s LYS 77 N 1.60 1.42 0.00 4.92 1.02 -1.26 -4.83 119.74 122.61 9pcy s LYS 77 Ca 0.69 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.90 9pcy s LYS 77 Cb -0.40 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 9pcy s LYS 77 CO 0.31 -2.24 0.00 0.41 -0.92 0.00 0.00 175.35 172.90 9pcy n GLY 78 N -0.56 0.33 3.17 -3.33 0.00 0.27 -4.79 105.19 100.29 9pcy n GLY 78 Ca 0.09 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 9pcy n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 9pcy s THR 79 N -1.86 0.01 -0.08 2.61 2.01 -1.26 -0.70 115.64 116.37 9pcy s THR 79 Ca 0.00 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.91 9pcy s THR 79 Cb 0.00 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.11 9pcy s THR 79 CO 0.00 -0.06 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.47 9pcy s TYR 80 N -0.12 1.39 0.07 4.92 1.51 0.32 -4.06 117.35 121.37 9pcy s TYR 80 Ca -0.03 -0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 55.38 9pcy s TYR 80 Cb -0.03 -1.08 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 9pcy s TYR 80 CO 0.01 -0.35 0.36 -1.12 -1.11 0.00 0.00 175.55 173.33 9pcy s SER 81 N 1.06 6.57 0.13 2.29 0.01 -0.31 -0.50 113.70 122.96 9pcy s SER 81 Ca -0.07 0.69 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 9pcy s SER 81 Cb -0.14 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 9pcy s SER 81 CO -0.01 0.18 0.15 0.72 0.41 0.00 0.00 173.24 174.69 9pcy s PHE 82 N -1.40 0.60 0.14 2.43 -0.12 0.28 -0.37 117.98 119.53 9pcy s PHE 82 Ca 0.32 -0.99 -0.18 0.00 -0.05 0.00 0.00 56.93 56.04 9pcy s PHE 82 Cb -0.13 -0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.02 9pcy s PHE 82 CO 0.18 -0.59 0.46 1.52 -0.05 0.00 0.00 175.22 176.74 9pcy s TYR 83 N -3.99 -0.28 -0.50 3.49 1.13 0.32 -0.80 117.35 116.71 9pcy s TYR 83 Ca 0.19 -0.01 -0.13 0.00 -1.41 0.00 0.00 57.07 55.70 9pcy s TYR 83 Cb 0.06 0.34 0.12 0.00 -1.10 0.00 0.00 41.96 41.37 9pcy s TYR 83 CO -0.01 -0.75 0.43 0.00 -2.51 0.00 0.00 175.55 172.71 9pcy n SER 85 N 5.12 -0.69 0.28 0.00 3.41 -1.26 -0.48 113.62 120.00 9pcy n SER 85 Ca -0.12 1.44 0.10 0.00 -0.26 0.00 0.00 58.87 60.03 9pcy n SER 85 Cb 0.41 -0.29 0.54 0.00 -0.26 0.00 0.00 64.21 64.60 9pcy n SER 85 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 9pcy h PRO 86 N 0.00 0.00 0.00 4.33 0.11 -1.92 -1.23 132.00 133.29 9pcy h PRO 86 Ca 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 9pcy h PRO 86 Cb 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 9pcy h PRO 86 CO -0.61 0.00 -0.30 0.72 -0.21 0.00 0.00 178.00 177.60 9pcy n HIS 87 N -2.54 0.00 0.00 0.65 8.25 0.37 -4.84 115.22 117.11 9pcy n HIS 87 Ca -0.01 -0.43 -0.11 0.00 -0.26 0.00 0.00 57.72 56.91 9pcy n HIS 87 Cb 0.46 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 9pcy n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 9pcy h GLN 88 N 0.02 0.12 -0.47 -0.41 4.15 0.39 -0.10 115.11 118.81 9pcy h GLN 88 Ca -0.00 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.50 9pcy h GLN 88 Cb 1.24 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 9pcy h GLN 88 CO 0.00 0.09 0.32 0.78 -1.93 0.00 0.00 178.83 178.09 9pcy h GLY 89 N 0.12 0.35 0.33 2.39 0.00 -1.87 0.72 103.07 105.11 9pcy h GLY 89 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.26 9pcy h GLY 89 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.60 9pcy n ALA 90 N -2.55 2.60 -0.77 3.60 0.00 -0.67 -4.89 120.51 117.83 9pcy n ALA 90 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.32 9pcy n ALA 90 Cb 0.36 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.54 9pcy n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9pcy n GLY 91 N 0.86 0.56 3.44 0.00 0.00 0.25 -4.97 105.19 105.32 9pcy n GLY 91 Ca 0.15 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 9pcy n GLY 91 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 9pcy n MET 92 N -2.77 2.91 -4.47 1.61 0.00 -0.14 -4.86 117.12 109.40 9pcy n MET 92 Ca 0.00 -3.04 -0.22 0.00 -0.00 0.00 0.00 57.70 54.44 9pcy n MET 92 Cb 0.00 -3.48 -0.10 0.00 0.00 0.00 0.00 33.22 29.64 9pcy n MET 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 9pcy s VAL 93 N 4.93 1.06 0.00 1.12 -7.23 -1.26 -1.05 120.40 117.97 9pcy s VAL 93 Ca 0.55 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 9pcy s VAL 93 Cb 0.05 -2.69 0.04 0.00 0.56 0.00 0.00 36.38 34.35 9pcy s VAL 93 CO 0.06 0.00 0.59 0.61 -0.31 0.00 0.00 175.10 176.06 9pcy n GLY 94 N -0.74 0.49 3.58 2.32 0.00 0.02 -4.42 105.19 106.44 9pcy n GLY 94 Ca -0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 9pcy n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 9pcy s LYS 95 N -2.01 1.53 -0.14 1.61 1.02 0.51 -0.56 119.74 121.70 9pcy s LYS 95 Ca 0.14 -1.25 -0.13 0.00 0.02 0.00 0.00 55.97 54.75 9pcy s LYS 95 Cb -0.00 0.47 0.04 0.00 -0.52 0.00 0.00 37.83 37.81 9pcy s LYS 95 CO 0.00 -0.63 0.37 0.54 -0.92 0.00 0.00 175.35 174.71 9pcy s VAL 96 N -4.02 -0.00 -0.17 3.17 0.11 0.34 -3.69 120.40 116.14 9pcy s VAL 96 Ca 0.22 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.19 9pcy s VAL 96 Cb -0.00 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 9pcy s VAL 96 CO 0.09 0.00 0.13 -0.89 -3.33 0.00 0.00 175.10 171.09 9pcy s THR 97 N 0.26 5.37 -0.30 5.04 2.01 0.41 -0.52 115.64 127.91 9pcy s THR 97 Ca -0.00 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 9pcy s THR 97 Cb -0.03 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.13 9pcy s THR 97 CO -0.00 0.50 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 9pcy s VAL 98 N -0.13 2.89 0.00 3.82 1.01 0.12 -0.51 120.40 127.62 9pcy s VAL 98 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.65 9pcy s VAL 98 Cb -0.11 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.59 9pcy s VAL 98 CO 0.00 -0.11 0.27 -0.46 0.00 0.00 0.00 175.10 174.80