#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 1.14 -0.12 1.96 -1.05 -1.26 -3.08 118.70 116.29 9pcy s GLU 2 Ca 0.00 -0.99 -0.01 0.00 -0.15 0.00 0.00 54.97 53.82 9pcy s GLU 2 Cb 0.00 0.42 0.03 0.00 -0.44 0.00 0.00 34.13 34.15 9pcy s GLU 2 CO 0.00 -0.43 -0.02 0.08 0.95 0.00 0.00 175.26 175.84 9pcy s VAL 3 N -3.90 0.66 -0.26 1.83 1.01 0.32 -4.54 120.40 115.52 9pcy s VAL 3 Ca 0.11 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 9pcy s VAL 3 Cb 0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 9pcy s VAL 3 CO -0.04 0.18 0.84 -0.76 0.00 0.00 0.00 175.10 175.32 9pcy s LEU 4 N 1.84 4.07 -1.19 3.92 1.43 0.43 -0.66 118.68 128.52 9pcy s LEU 4 Ca 0.03 0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 53.92 9pcy s LEU 4 Cb -0.14 -3.19 0.09 0.00 0.03 0.00 0.00 46.19 42.98 9pcy s LEU 4 CO -0.07 -0.56 1.57 -0.76 0.23 0.00 0.00 176.35 176.76 9pcy s LEU 5 N 2.92 4.08 0.00 1.79 1.43 0.59 -0.66 118.68 128.83 9pcy s LEU 5 Ca 0.35 -2.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.16 9pcy s LEU 5 Cb -0.15 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.54 9pcy s LEU 5 CO 0.09 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.12 9pcy n GLY 6 N 5.51 3.45 2.33 -3.19 0.00 0.38 -1.42 105.19 112.25 9pcy n GLY 6 Ca 0.41 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 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 5.56 0.00 1.61 3.41 -1.25 -4.55 113.62 118.40 9pcy n SER 7 Ca 0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 9pcy n SER 7 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 -0.64 1.13 1.29 5.00 0.00 -1.26 -4.64 105.19 106.07 9pcy n GLY 8 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 2.74 2.76 0.00 1.61 5.75 -1.26 -4.76 116.55 123.39 9pcy n ASP 9 Ca 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 9pcy n ASP 9 Cb 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 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 1.09 0.00 3.76 6.12 0.00 -1.26 -4.94 105.19 109.97 9pcy n GLY 10 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 9pcy n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 9pcy s SER 11 N -1.89 6.64 -1.55 1.61 0.15 -1.26 -4.05 113.70 113.35 9pcy s SER 11 Ca 0.00 2.77 -0.12 0.00 0.70 0.00 0.00 55.95 59.30 9pcy s SER 11 Cb 0.00 -2.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 9pcy s SER 11 CO 0.00 -0.66 2.62 0.18 1.20 0.00 0.00 173.24 176.58 9pcy n LEU 12 N 1.15 7.88 -4.06 3.45 4.77 -1.26 -3.75 117.00 125.18 9pcy n LEU 12 Ca 0.02 -4.26 -0.17 0.00 -0.03 0.00 0.00 56.01 51.58 9pcy n LEU 12 Cb 0.41 -1.61 -0.13 0.00 -2.33 0.00 0.00 43.42 39.76 9pcy n LEU 12 CO 0.61 1.62 -0.43 0.68 -1.33 0.00 0.00 177.39 178.54 9pcy s VAL 13 N 2.66 0.72 -0.16 4.08 -7.23 -1.26 -4.38 120.40 114.83 9pcy s VAL 13 Ca 0.59 -0.78 -0.21 0.00 -1.81 0.00 0.00 61.98 59.78 9pcy s VAL 13 Cb 0.16 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 9pcy s VAL 13 CO -0.07 -0.07 0.61 -0.36 -0.31 0.00 0.00 175.10 174.90 9pcy s PHE 14 N -0.78 3.44 -0.27 2.82 0.40 -1.26 -0.47 117.98 121.86 9pcy s PHE 14 Ca -0.02 0.98 0.01 0.00 -0.60 0.00 0.00 56.93 57.30 9pcy s PHE 14 Cb -0.07 -2.75 0.06 0.00 0.51 0.00 0.00 43.02 40.77 9pcy s PHE 14 CO 0.00 -0.06 -0.07 0.08 0.70 0.00 0.00 175.22 175.88 9pcy s VAL 15 N 1.45 2.47 0.56 -0.44 1.01 0.17 -1.21 120.40 124.41 9pcy s VAL 15 Ca 0.30 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 9pcy s VAL 15 Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 9pcy s VAL 15 CO 0.12 -0.05 1.05 -2.16 0.00 0.00 0.00 175.10 174.06 9pcy s PRO 16 N 1.16 3.47 -0.07 2.72 0.04 -1.26 -0.43 135.00 140.63 9pcy s PRO 16 Ca -0.07 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 61.96 9pcy s PRO 16 Cb -0.20 -2.05 -0.30 0.00 0.04 0.00 0.00 34.50 31.99 9pcy s PRO 16 CO -0.04 -0.69 0.82 0.77 0.04 0.00 0.00 177.00 177.91 9pcy h SER 17 N 0.72 0.37 -3.48 6.66 0.02 -1.51 -3.45 113.55 112.88 9pcy h SER 17 Ca -0.47 -0.94 -0.61 0.00 -0.84 0.00 0.00 61.79 58.92 9pcy h SER 17 Cb 1.22 -0.12 -0.33 0.00 0.14 0.00 0.00 62.40 63.31 9pcy h SER 17 CO 0.58 1.35 -0.85 -0.70 -1.14 0.00 0.00 176.83 176.07 9pcy s GLU 18 N -2.39 2.42 0.30 3.45 2.12 -1.26 -0.46 118.70 122.88 9pcy s GLU 18 Ca -0.16 -0.70 -0.10 0.00 0.36 0.00 0.00 54.97 54.38 9pcy s GLU 18 Cb 0.01 -1.91 0.04 0.00 0.26 0.00 0.00 34.13 32.53 9pcy s GLU 18 CO 0.79 0.15 0.56 1.97 -0.54 0.00 0.00 175.26 178.20 9pcy n PHE 19 N 3.54 -1.90 -4.28 5.30 -1.74 -1.11 -4.98 117.46 112.29 9pcy n PHE 19 Ca -0.20 -1.49 -0.22 0.00 -0.56 0.00 0.00 57.45 54.97 9pcy n PHE 19 Cb 0.52 0.66 -0.12 0.00 1.52 0.00 0.00 39.48 42.06 9pcy n PHE 19 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 9pcy s SER 20 N -2.60 2.42 -0.08 5.98 1.04 -1.26 -0.21 113.70 118.98 9pcy s SER 20 Ca 0.14 -0.72 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 9pcy s SER 20 Cb -0.03 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.00 9pcy s SER 20 CO 0.10 0.01 0.21 0.54 0.98 0.00 0.00 173.24 175.08 9pcy s VAL 21 N -1.40 -0.02 0.29 5.02 0.11 0.40 -4.85 120.40 119.94 9pcy s VAL 21 Ca 0.07 0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 9pcy s VAL 21 Cb -0.09 -0.31 -0.10 0.00 -1.53 0.00 0.00 36.38 34.35 9pcy s VAL 21 CO 0.04 0.04 1.43 -2.84 -3.33 0.00 0.00 175.10 170.44 9pcy s PRO 22 N 0.74 4.25 -0.17 1.54 0.02 -1.26 -0.85 135.00 139.28 9pcy s PRO 22 Ca -0.05 2.34 -0.38 0.00 0.02 0.00 0.00 61.00 62.93 9pcy s PRO 22 Cb -0.07 -3.07 -0.15 0.00 0.02 0.00 0.00 34.50 31.23 9pcy s PRO 22 CO -0.04 -0.40 1.70 0.43 -0.33 0.00 0.00 177.00 178.36 9pcy n SER 23 N 1.70 2.51 0.00 2.53 7.64 0.58 -1.17 113.62 127.40 9pcy n SER 23 Ca 0.04 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.99 9pcy n SER 23 Cb 0.40 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 3.94 2.57 3.71 0.23 0.00 0.10 -4.95 105.19 110.79 9pcy n GLY 24 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 9pcy n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 9pcy s GLU 25 N -0.92 0.95 0.13 1.61 0.41 -0.32 -4.76 118.70 115.80 9pcy s GLU 25 Ca 0.00 0.66 -0.10 0.00 -0.41 0.00 0.00 54.97 55.13 9pcy s GLU 25 Cb 0.00 -1.79 -0.06 0.00 -1.78 0.00 0.00 34.13 30.50 9pcy s GLU 25 CO 0.00 -2.41 0.46 0.15 -0.49 0.00 0.00 175.26 172.96 9pcy s LYS 26 N -4.97 3.79 -0.10 1.61 1.02 -1.26 -3.79 119.74 116.03 9pcy s LYS 26 Ca 0.64 0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.86 9pcy s LYS 26 Cb -0.18 -2.89 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 9pcy s LYS 26 CO 0.57 0.48 -0.16 0.42 -0.92 0.00 0.00 175.35 175.74 9pcy s ILE 27 N -1.54 1.50 -0.49 2.17 1.01 0.77 -4.16 121.20 120.46 9pcy s ILE 27 Ca 0.38 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 9pcy s ILE 27 Cb -0.13 -1.36 0.13 0.00 0.01 0.00 0.00 42.46 41.10 9pcy s ILE 27 CO 0.20 0.44 0.30 -0.69 0.00 0.00 0.00 174.94 175.19 9pcy s VAL 28 N 0.89 3.51 -0.80 2.92 1.01 -1.18 -1.02 120.40 125.72 9pcy s VAL 28 Ca -0.09 -2.36 -0.25 0.00 0.00 0.00 0.00 61.98 59.28 9pcy s VAL 28 Cb -0.15 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.92 9pcy s VAL 28 CO 0.00 -0.77 1.27 -0.36 0.00 0.00 0.00 175.10 175.24 9pcy s PHE 29 N 0.73 2.44 -0.17 5.22 0.08 0.20 -0.52 117.98 125.96 9pcy s PHE 29 Ca 0.11 -0.38 -0.16 0.00 0.12 0.00 0.00 56.93 56.62 9pcy s PHE 29 Cb -0.22 -4.58 -0.04 0.00 -0.57 0.00 0.00 43.02 37.61 9pcy s PHE 29 CO -0.04 -1.95 0.40 0.21 -0.10 0.00 0.00 175.22 173.74 9pcy s LYS 30 N 5.16 4.24 -0.78 0.44 2.20 0.16 -0.58 119.74 130.59 9pcy s LYS 30 Ca 0.36 0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 55.97 9pcy s LYS 30 Cb -0.07 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 9pcy s LYS 30 CO 0.07 0.08 2.02 -0.80 -0.36 0.00 0.00 175.35 176.37 9pcy s ASN 31 N 0.78 4.94 -0.03 1.43 -0.87 0.03 -0.30 114.94 120.93 9pcy s ASN 31 Ca 0.21 -0.16 -0.00 0.00 -1.57 0.00 0.00 52.86 51.33 9pcy s ASN 31 Cb -0.14 -2.55 -0.00 0.00 -0.02 0.00 0.00 41.25 38.54 9pcy s ASN 31 CO 0.08 -2.82 -0.00 -1.13 -2.57 0.00 0.00 177.10 170.66 9pcy h ASN 32 N 13.13 0.00 -5.03 -1.22 -0.73 -1.58 0.20 115.58 120.35 9pcy h ASN 32 Ca -0.04 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.20 9pcy h ASN 32 Cb 1.07 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.59 9pcy h ASN 32 CO 1.18 0.14 0.27 0.00 -0.37 0.00 0.00 177.43 178.65 9pcy s ALA 33 N -2.88 -1.36 -0.93 1.57 0.00 -0.51 -4.72 121.76 112.93 9pcy s ALA 33 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.88 9pcy s ALA 33 Cb 0.00 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.94 9pcy s ALA 33 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.19 9pcy n GLY 34 N -0.44 1.02 3.72 0.00 0.00 -1.26 -3.72 105.19 104.50 9pcy n GLY 34 Ca -0.07 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.19 2.30 0.68 1.61 -0.12 -1.26 -4.77 117.98 114.23 9pcy s PHE 35 Ca 0.00 1.19 -0.14 0.00 -0.05 0.00 0.00 56.93 57.93 9pcy s PHE 35 Cb 0.00 -3.18 0.01 0.00 -0.63 0.00 0.00 43.02 39.22 9pcy s PHE 35 CO 0.00 -2.46 1.12 -1.25 -0.05 0.00 0.00 175.22 172.58 9pcy s PRO 36 N -4.96 2.66 0.24 1.99 0.04 -1.26 -5.10 135.00 128.61 9pcy s PRO 36 Ca 0.64 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 9pcy s PRO 36 Cb -0.18 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 9pcy s PRO 36 CO 0.57 -1.36 0.36 -1.01 0.04 0.00 0.00 177.00 175.60 9pcy s HIS 37 N -2.37 0.66 0.33 0.56 3.76 -0.90 -4.86 115.29 112.47 9pcy s HIS 37 Ca 0.67 -0.97 -0.18 0.00 -0.15 0.00 0.00 55.06 54.43 9pcy s HIS 37 Cb -0.21 -0.07 0.04 0.00 1.11 0.00 0.00 32.58 33.45 9pcy s HIS 37 CO 0.44 -0.88 0.78 0.54 -0.85 0.00 0.00 174.74 174.77 9pcy s ASN 38 N -3.07 -0.10 -0.23 1.40 4.22 -1.26 0.22 114.94 116.12 9pcy s ASN 38 Ca 0.28 -0.91 -0.03 0.00 -2.14 0.00 0.00 52.86 50.06 9pcy s ASN 38 Cb 0.02 0.78 0.07 0.00 1.28 0.00 0.00 41.25 43.41 9pcy s ASN 38 CO 0.10 -1.52 0.07 -0.69 -2.04 0.00 0.00 177.10 173.03 9pcy s VAL 39 N -2.91 0.36 -0.10 3.54 1.01 -1.26 -4.09 120.40 116.94 9pcy s VAL 39 Ca 0.14 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.47 9pcy s VAL 39 Cb -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 9pcy s VAL 39 CO 0.09 -0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 173.99 9pcy s VAL 40 N 1.92 3.21 -0.04 2.92 1.01 0.16 -0.51 120.40 129.08 9pcy s VAL 40 Ca 0.03 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 9pcy s VAL 40 Cb -0.17 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 9pcy s VAL 40 CO -0.16 0.55 0.30 -0.36 0.00 0.00 0.00 175.10 175.42 9pcy s PHE 41 N -0.09 3.66 -0.45 5.22 0.40 -1.26 -0.29 117.98 125.16 9pcy s PHE 41 Ca -0.01 0.77 -0.28 0.00 -0.60 0.00 0.00 56.93 56.81 9pcy s PHE 41 Cb -0.14 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.27 9pcy s PHE 41 CO 0.03 0.67 1.49 0.34 0.70 0.00 0.00 175.22 178.45 9pcy s ASP 42 N -1.17 6.16 0.54 1.36 -1.08 -0.03 -4.88 116.67 117.56 9pcy s ASP 42 Ca 0.22 0.72 0.42 0.00 -0.52 0.00 0.00 52.55 53.38 9pcy s ASP 42 Cb -0.14 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.39 9pcy s ASP 42 CO 0.11 -1.60 1.69 1.05 0.52 0.00 0.00 175.17 176.94 9pcy h GLU 43 N 11.35 0.02 0.01 4.34 4.11 -1.96 -1.57 114.58 130.88 9pcy h GLU 43 Ca -0.28 -0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.99 9pcy h GLU 43 Cb 1.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 9pcy h GLU 43 CO 1.11 0.01 -0.87 0.22 0.07 0.00 0.00 179.01 179.55 9pcy h ASP 44 N 0.02 0.05 -0.07 3.06 3.58 -1.97 -3.40 116.42 117.68 9pcy h ASP 44 Ca 0.75 -0.71 -0.56 0.00 0.42 0.00 0.00 57.03 56.93 9pcy h ASP 44 Cb 2.93 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 43.96 9pcy h ASP 44 CO -0.05 1.35 2.74 -0.62 -2.88 0.00 0.00 179.24 179.78 9pcy n GLU 45 N -4.42 3.33 -3.65 0.28 1.02 -0.59 -4.74 120.64 111.86 9pcy n GLU 45 Ca -0.24 -1.98 -0.12 0.00 -0.02 0.00 0.00 57.16 54.80 9pcy n GLU 45 Cb 0.64 -2.59 -0.06 0.00 -0.02 0.00 0.00 31.44 29.41 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 9pcy s ILE 46 N 1.66 0.06 -0.22 -3.67 -4.36 -1.24 -0.71 121.20 112.72 9pcy s ILE 46 Ca 0.68 -0.50 -0.35 0.00 -0.26 0.00 0.00 60.65 60.22 9pcy s ILE 46 Cb 0.22 -1.03 -0.11 0.00 1.25 0.00 0.00 42.46 42.78 9pcy s ILE 46 CO -0.05 -0.28 2.00 -2.65 0.24 0.00 0.00 174.94 174.21 9pcy n PRO 47 N 0.24 1.62 -1.49 0.37 -0.02 -1.26 -4.81 135.00 129.65 9pcy n PRO 47 Ca -0.18 0.54 -0.47 0.00 -2.02 0.00 0.00 63.50 61.38 9pcy n PRO 47 Cb 0.61 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 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 8.10 1.10 0.00 3.55 0.00 -1.26 -1.19 120.51 130.81 9pcy n ALA 48 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.52 9pcy n ALA 48 Cb 0.26 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.03 9pcy n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9pcy n GLY 49 N 6.35 1.44 3.67 0.00 0.00 -1.26 -5.11 105.19 110.28 9pcy n GLY 49 Ca 0.41 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 9pcy n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 9pcy s VAL 50 N -0.17 4.30 -0.42 1.61 1.01 -0.33 -4.94 120.40 121.45 9pcy s VAL 50 Ca 0.00 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.30 9pcy s VAL 50 Cb 0.00 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 9pcy s VAL 50 CO 0.00 -0.09 1.96 -0.62 0.00 0.00 0.00 175.10 176.35 9pcy s ASP 51 N 1.75 5.43 0.34 3.32 2.15 -1.26 -4.85 116.67 123.55 9pcy s ASP 51 Ca 0.54 1.06 0.12 0.00 0.43 0.00 0.00 52.55 54.70 9pcy s ASP 51 Cb -0.22 -2.52 0.95 0.00 -0.30 0.00 0.00 42.92 40.83 9pcy s ASP 51 CO 0.17 -2.12 1.74 0.00 -0.17 0.00 0.00 175.17 174.78 9pcy h ALA 52 N 14.81 1.92 0.00 3.66 0.00 -1.92 0.13 119.26 137.86 9pcy h ALA 52 Ca -0.31 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 9pcy h ALA 52 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 9pcy h ALA 52 CO 1.10 -0.38 -0.08 0.28 0.00 0.00 0.00 179.25 180.17 9pcy h VAL 53 N 0.53 0.99 0.02 0.00 2.07 -1.89 0.21 116.25 118.17 9pcy h VAL 53 Ca 0.64 -0.27 -0.22 0.00 0.82 0.00 0.00 66.70 67.67 9pcy h VAL 53 Cb 1.32 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 9pcy h VAL 53 CO -0.43 0.08 -0.94 0.07 0.02 0.00 0.00 177.57 176.36 9pcy h LYS 54 N 0.00 0.28 0.04 1.57 5.09 -1.13 -3.30 116.57 119.12 9pcy h LYS 54 Ca -0.00 -0.32 -0.28 0.00 0.09 0.00 0.00 60.65 60.14 9pcy h LYS 54 Cb 0.14 0.10 -0.03 0.00 0.10 0.00 0.00 32.23 32.54 9pcy h LYS 54 CO 0.01 1.04 -1.49 -0.84 -2.09 0.00 0.00 179.45 176.08 9pcy h ILE 55 N 0.15 1.15 -3.40 0.07 3.07 -1.42 -3.47 117.51 113.66 9pcy h ILE 55 Ca -0.07 -2.90 -0.55 0.00 1.55 0.00 0.00 64.86 62.90 9pcy h ILE 55 Cb 1.59 2.64 -0.04 0.00 -0.27 0.00 0.00 36.82 40.74 9pcy h ILE 55 CO 0.15 0.74 0.11 -0.44 -1.05 0.00 0.00 178.15 177.66 9pcy s SER 56 N -6.58 7.19 0.19 2.16 0.01 0.70 -4.84 113.70 112.53 9pcy s SER 56 Ca -0.06 1.42 -0.30 0.00 1.31 0.00 0.00 55.95 58.32 9pcy s SER 56 Cb 0.08 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 9pcy s SER 56 CO 0.83 0.10 1.34 -0.04 0.41 0.00 0.00 173.24 175.88 9pcy s MET 57 N -0.44 4.36 -0.31 12.44 -1.94 0.34 -4.80 119.30 128.95 9pcy s MET 57 Ca 0.35 2.09 -0.38 0.00 -1.71 0.00 0.00 55.69 56.04 9pcy s MET 57 Cb -0.21 -3.20 -0.14 0.00 2.01 0.00 0.00 34.83 33.30 9pcy s MET 57 CO 0.22 -0.31 1.99 -2.30 -0.01 0.00 0.00 175.02 174.61 9pcy n PRO 58 N 2.87 1.15 -0.26 2.03 -0.02 -1.26 -4.63 135.00 134.87 9pcy n PRO 58 Ca 0.07 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 62.09 9pcy n PRO 58 Cb 0.42 -2.28 0.30 0.00 -0.02 0.00 0.00 33.50 31.93 9pcy n PRO 58 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 9pcy n GLU 59 N 6.93 -0.06 -0.20 -0.52 0.00 -1.26 0.13 120.64 125.66 9pcy n GLU 59 Ca 0.35 1.13 -0.01 0.00 0.00 0.00 0.00 57.16 58.63 9pcy n GLU 59 Cb 0.18 -1.86 0.22 0.00 0.00 0.00 0.00 31.44 29.98 9pcy n GLU 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 9pcy h GLU 60 N 0.00 0.97 -7.00 3.44 4.57 -2.03 -3.44 114.58 111.09 9pcy h GLU 60 Ca 0.53 -0.09 -0.48 0.00 -1.18 0.00 0.00 59.36 58.14 9pcy h GLU 60 Cb 1.22 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.62 9pcy h GLU 60 CO -0.68 0.70 0.24 -1.21 -1.18 0.00 0.00 179.01 176.88 9pcy s GLU 61 N -5.70 3.90 -0.12 1.92 0.41 0.12 -5.09 118.70 114.15 9pcy s GLU 61 Ca -0.11 0.74 -0.24 0.00 -0.41 0.00 0.00 54.97 54.95 9pcy s GLU 61 Cb 0.17 -2.27 0.06 0.00 -1.78 0.00 0.00 34.13 30.31 9pcy s GLU 61 CO 0.79 -0.12 0.57 -0.48 -0.49 0.00 0.00 175.26 175.53 9pcy s LEU 62 N -3.83 -0.21 -0.70 1.80 2.34 -1.26 -4.78 118.68 112.04 9pcy s LEU 62 Ca 0.55 0.80 -0.27 0.00 0.06 0.00 0.00 54.13 55.27 9pcy s LEU 62 Cb -0.10 2.09 0.01 0.00 -0.56 0.00 0.00 46.19 47.63 9pcy s LEU 62 CO 0.29 -0.41 1.46 -0.76 -1.06 0.00 0.00 176.35 175.87 9pcy s LEU 63 N -0.59 3.20 0.01 1.48 1.43 0.13 -4.84 118.68 119.50 9pcy s LEU 63 Ca -0.07 -0.21 0.21 0.00 -1.03 0.00 0.00 54.13 53.02 9pcy s LEU 63 Cb -0.03 -2.55 -0.23 0.00 0.03 0.00 0.00 46.19 43.42 9pcy s LEU 63 CO 0.05 -2.01 0.59 -3.20 0.23 0.00 0.00 176.35 172.01 9pcy n ASN 64 N 10.42 0.30 -4.90 2.29 4.05 -1.26 -2.12 115.26 124.05 9pcy n ASN 64 Ca 0.09 0.12 -0.29 0.00 0.45 0.00 0.00 54.58 54.95 9pcy n ASN 64 Cb 0.50 1.26 -0.04 0.00 1.23 0.00 0.00 39.78 42.73 9pcy n ASN 64 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 9pcy s ALA 65 N -3.25 3.71 0.87 5.20 0.00 -1.26 -4.72 121.76 122.31 9pcy s ALA 65 Ca -0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 9pcy s ALA 65 Cb 0.11 -2.20 0.12 0.00 0.00 0.00 0.00 23.12 21.15 9pcy s ALA 65 CO 0.86 0.42 1.10 -1.25 0.00 0.00 0.00 175.76 176.90 9pcy s PRO 66 N -3.19 1.40 0.00 0.00 0.04 -1.26 -3.91 135.00 128.08 9pcy s PRO 66 Ca 0.42 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.63 9pcy s PRO 66 Cb -0.11 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.63 9pcy s PRO 66 CO 0.27 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.48 9pcy n GLY 67 N -0.63 1.52 0.00 0.56 0.00 0.71 -4.93 105.19 102.42 9pcy n GLY 67 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -3.60 1.61 1.02 -1.25 -2.58 120.64 115.84 9pcy n GLU 68 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 9pcy n GLU 68 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 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 0.00 5.19 -0.49 2.62 -4.23 -1.26 -0.79 115.64 116.68 9pcy s THR 69 Ca 0.00 0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.39 9pcy s THR 69 Cb 0.00 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.39 9pcy s THR 69 CO 0.00 0.21 0.50 -0.47 -0.54 0.00 0.00 174.62 174.32 9pcy s TYR 70 N 1.74 3.15 -0.10 3.99 5.04 0.26 -4.91 117.35 126.52 9pcy s TYR 70 Ca 0.07 -0.71 -0.14 0.00 -2.44 0.00 0.00 57.07 53.84 9pcy s TYR 70 Cb -0.16 -3.32 -0.05 0.00 0.35 0.00 0.00 41.96 38.78 9pcy s TYR 70 CO 0.10 -0.90 0.34 0.08 -1.34 0.00 0.00 175.55 173.83 9pcy s VAL 71 N 2.13 5.22 0.13 3.14 1.01 -1.26 -0.63 120.40 130.14 9pcy s VAL 71 Ca 0.10 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.61 9pcy s VAL 71 Cb -0.21 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.52 9pcy s VAL 71 CO 0.09 0.47 0.34 0.54 0.00 0.00 0.00 175.10 176.54 9pcy s VAL 72 N -0.19 0.09 0.01 2.92 0.11 -0.19 -4.99 120.40 118.15 9pcy s VAL 72 Ca 0.20 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 9pcy s VAL 72 Cb -0.14 -1.35 -0.01 0.00 -1.53 0.00 0.00 36.38 33.34 9pcy s VAL 72 CO 0.08 -0.39 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.48 9pcy s THR 73 N -3.85 0.69 -0.18 5.04 2.01 -1.26 -0.16 115.64 117.92 9pcy s THR 73 Ca 0.06 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.52 9pcy s THR 73 Cb 0.03 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.94 9pcy s THR 73 CO -0.09 0.07 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.97 9pcy s LEU 74 N -0.53 2.24 -0.19 4.42 1.43 -1.25 -5.01 118.68 119.79 9pcy s LEU 74 Ca 0.01 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 9pcy s LEU 74 Cb -0.05 -1.51 -0.21 0.00 0.03 0.00 0.00 46.19 44.45 9pcy s LEU 74 CO 0.00 0.01 0.06 -0.90 0.23 0.00 0.00 176.35 175.75 9pcy n ASP 75 N 4.59 2.04 -4.69 2.29 5.75 -1.26 -0.72 116.55 124.55 9pcy n ASP 75 Ca -0.20 0.08 -0.42 0.00 -0.01 0.00 0.00 54.79 54.23 9pcy n ASP 75 Cb 0.50 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 9pcy n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 9pcy s THR 76 N -2.53 4.45 0.74 2.12 2.01 -1.26 -4.49 115.64 116.68 9pcy s THR 76 Ca -0.29 1.75 -0.14 0.00 0.31 0.00 0.00 61.69 63.33 9pcy s THR 76 Cb 0.08 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.51 9pcy s THR 76 CO 0.67 0.01 1.15 -0.54 -0.69 0.00 0.00 174.62 175.23 9pcy s LYS 77 N 2.03 2.20 0.00 4.92 1.02 -1.26 -4.78 119.74 123.87 9pcy s LYS 77 Ca 0.53 1.53 0.00 0.00 0.02 0.00 0.00 55.97 58.06 9pcy s LYS 77 Cb -0.23 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 9pcy s LYS 77 CO 0.21 -1.74 0.00 0.41 -0.92 0.00 0.00 175.35 173.31 9pcy n GLY 78 N -0.14 1.43 3.70 -3.33 0.00 -0.22 -4.77 105.19 101.86 9pcy n GLY 78 Ca 0.12 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.27 5.24 -0.07 2.61 2.01 -1.26 -0.22 115.64 122.67 9pcy s THR 79 Ca 0.00 0.69 0.03 0.00 0.31 0.00 0.00 61.69 62.73 9pcy s THR 79 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 9pcy s THR 79 CO 0.00 0.31 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.76 9pcy s TYR 80 N 0.90 2.65 -0.11 4.92 1.51 0.29 -4.10 117.35 123.42 9pcy s TYR 80 Ca 0.19 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 9pcy s TYR 80 Cb -0.14 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 9pcy s TYR 80 CO 0.07 -0.05 -0.03 -1.12 -1.11 0.00 0.00 175.55 173.31 9pcy s SER 81 N -0.26 4.89 0.20 2.29 0.01 0.11 -0.57 113.70 120.37 9pcy s SER 81 Ca 0.01 -0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 9pcy s SER 81 Cb -0.13 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 9pcy s SER 81 CO 0.03 0.30 0.09 0.72 0.41 0.00 0.00 173.24 174.79 9pcy s PHE 82 N -0.39 1.22 0.15 2.43 -0.12 0.14 -0.85 117.98 120.55 9pcy s PHE 82 Ca 0.07 -1.26 -0.19 0.00 -0.05 0.00 0.00 56.93 55.50 9pcy s PHE 82 Cb -0.12 -0.66 0.05 0.00 -0.63 0.00 0.00 43.02 41.66 9pcy s PHE 82 CO 0.02 -0.48 0.49 1.52 -0.05 0.00 0.00 175.22 176.72 9pcy s TYR 83 N -3.97 -0.32 -0.51 3.49 1.13 0.60 -0.65 117.35 117.11 9pcy s TYR 83 Ca 0.34 0.04 -0.16 0.00 -1.41 0.00 0.00 57.07 55.89 9pcy s TYR 83 Cb 0.07 0.39 0.10 0.00 -1.10 0.00 0.00 41.96 41.43 9pcy s TYR 83 CO 0.10 -0.79 0.46 0.00 -2.51 0.00 0.00 175.55 172.81 9pcy h SER 85 N 8.84 -1.16 0.00 0.00 0.02 -1.87 0.21 113.55 119.60 9pcy h SER 85 Ca -0.29 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 9pcy h SER 85 Cb 1.10 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.17 9pcy h SER 85 CO 0.97 -0.34 0.37 -0.65 -1.14 0.00 0.00 176.83 176.04 9pcy h PRO 86 N -0.29 0.00 -0.07 3.45 0.11 -1.91 -1.73 132.00 131.56 9pcy h PRO 86 Ca 0.16 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.09 9pcy h PRO 86 Cb 0.55 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.31 9pcy h PRO 86 CO -0.53 0.00 -0.99 0.72 -0.21 0.00 0.00 178.00 176.99 9pcy n HIS 87 N -2.14 0.21 -0.14 0.65 8.25 -0.03 -4.89 115.22 117.13 9pcy n HIS 87 Ca -0.01 -0.85 -0.08 0.00 -0.26 0.00 0.00 57.72 56.53 9pcy n HIS 87 Cb 0.39 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.33 9pcy n HIS 87 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 9pcy h GLN 88 N 1.23 0.57 -0.66 -0.41 -0.00 -0.33 -1.35 115.11 114.16 9pcy h GLN 88 Ca -0.19 -0.05 0.08 0.00 -0.00 0.00 0.00 58.65 58.50 9pcy h GLN 88 Cb 1.72 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.48 29.04 9pcy h GLN 88 CO 0.11 0.41 0.44 0.78 -0.00 0.00 0.00 178.83 180.57 9pcy h GLY 89 N 0.56 0.78 0.37 0.06 0.00 -1.89 0.74 103.07 103.69 9pcy h GLY 89 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.24 9pcy h GLY 89 CO -0.03 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.67 9pcy n ALA 90 N -2.48 2.59 -1.67 3.60 0.00 -0.90 -4.89 120.51 116.76 9pcy n ALA 90 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 9pcy n ALA 90 Cb 0.29 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 0.79 0.47 3.44 0.00 0.00 0.25 -4.93 105.19 105.21 9pcy n GLY 91 Ca 0.12 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.19 2.98 -4.58 1.61 0.00 -0.56 -4.87 117.12 109.51 9pcy n MET 92 Ca -0.07 -3.08 -0.27 0.00 -0.00 0.00 0.00 57.70 54.29 9pcy n MET 92 Cb 0.39 -3.48 -0.11 0.00 0.00 0.00 0.00 33.22 30.03 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 4.65 1.92 0.16 1.12 -7.23 -1.26 -0.97 120.40 118.80 9pcy s VAL 93 Ca 0.54 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 9pcy s VAL 93 Cb 0.05 -2.90 0.08 0.00 0.56 0.00 0.00 36.38 34.17 9pcy s VAL 93 CO 0.06 -0.04 1.05 -0.83 -0.31 0.00 0.00 175.10 175.03 9pcy s GLY 94 N -3.66 0.06 0.11 2.32 0.00 0.17 -4.68 107.32 101.64 9pcy s GLY 94 Ca 0.35 -0.25 -0.09 0.00 0.00 0.00 0.00 44.72 44.72 9pcy s GLY 94 CO 0.17 2.39 0.23 0.54 0.00 0.00 0.00 173.10 176.43 9pcy s LYS 95 N -2.26 0.93 -0.08 2.90 1.02 0.39 -0.69 119.74 121.96 9pcy s LYS 95 Ca 0.21 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 9pcy s LYS 95 Cb -0.02 0.36 0.04 0.00 -0.52 0.00 0.00 37.83 37.68 9pcy s LYS 95 CO 0.04 -0.31 0.19 0.54 -0.92 0.00 0.00 175.35 174.89 9pcy s VAL 96 N -3.88 -0.03 -0.42 3.17 0.11 0.27 -2.74 120.40 116.87 9pcy s VAL 96 Ca 0.08 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.13 9pcy s VAL 96 Cb 0.04 -0.29 0.06 0.00 -1.53 0.00 0.00 36.38 34.66 9pcy s VAL 96 CO -0.09 0.05 0.29 -0.89 -3.33 0.00 0.00 175.10 171.13 9pcy s THR 97 N 0.92 4.73 -0.54 5.04 2.01 0.71 -0.54 115.64 127.96 9pcy s THR 97 Ca -0.07 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 60.58 9pcy s THR 97 Cb -0.08 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.68 9pcy s THR 97 CO -0.05 -0.44 1.08 -0.69 -0.69 0.00 0.00 174.62 173.83 9pcy s VAL 98 N 1.55 4.21 -2.99 3.82 1.01 0.69 -0.45 120.40 128.24 9pcy s VAL 98 Ca 0.03 0.73 0.24 0.00 0.00 0.00 0.00 61.98 62.99 9pcy s VAL 98 Cb -0.22 -4.62 0.20 0.00 0.00 0.00 0.00 36.38 31.74 9pcy s VAL 98 CO 0.05 -1.17 1.27 0.59 0.00 0.00 0.00 175.10 175.84