#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 3.80 -0.23 3.23 2.12 -1.26 -0.53 118.70 125.83 9pcy s GLU 2 Ca 0.00 0.16 -0.07 0.00 0.36 0.00 0.00 54.97 55.42 9pcy s GLU 2 Cb 0.00 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 9pcy s GLU 2 CO 0.00 -0.63 0.06 0.08 -0.54 0.00 0.00 175.26 174.23 9pcy s VAL 3 N 2.61 4.34 -0.23 3.70 1.01 0.44 -4.63 120.40 127.64 9pcy s VAL 3 Ca 0.24 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 9pcy s VAL 3 Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 9pcy s VAL 3 CO 0.13 0.37 0.78 -0.76 0.00 0.00 0.00 175.10 175.62 9pcy s LEU 4 N 1.30 4.10 -0.76 3.92 1.43 0.28 -0.33 118.68 128.62 9pcy s LEU 4 Ca 0.05 0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 53.87 9pcy s LEU 4 Cb -0.15 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 42.98 9pcy s LEU 4 CO 0.03 -0.45 1.41 -0.22 0.23 0.00 0.00 176.35 177.34 9pcy s LEU 5 N 2.61 3.22 0.00 1.79 2.96 0.02 -1.07 118.68 128.21 9pcy s LEU 5 Ca 0.33 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 9pcy s LEU 5 Cb -0.16 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.98 9pcy s LEU 5 CO 0.08 -1.91 0.00 0.61 -1.32 0.00 0.00 176.35 173.82 9pcy n GLY 6 N 5.65 0.07 3.84 7.98 0.00 -0.80 -2.26 105.19 119.67 9pcy n GLY 6 Ca 0.10 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 9pcy n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 9pcy s SER 7 N -1.05 6.43 0.40 1.61 1.04 -0.17 -4.16 113.70 117.81 9pcy s SER 7 Ca 0.00 1.61 0.15 0.00 0.48 0.00 0.00 55.95 58.18 9pcy s SER 7 Cb 0.00 -2.51 1.00 0.00 0.10 0.00 0.00 66.02 64.61 9pcy s SER 7 CO 0.00 -0.72 1.88 1.23 0.98 0.00 0.00 173.24 176.60 9pcy h GLY 8 N 0.72 0.92 1.44 7.32 0.00 -1.93 0.13 103.07 111.68 9pcy h GLY 8 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.65 9pcy h GLY 8 CO 0.61 0.04 0.00 2.09 0.00 0.00 0.00 176.54 179.27 9pcy n ASP 9 N -4.52 0.00 0.00 0.19 5.68 -1.26 -4.89 116.55 111.75 9pcy n ASP 9 Ca 0.17 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 9pcy n ASP 9 Cb 0.59 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 9pcy n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 9pcy n GLY 10 N 0.59 3.39 3.69 6.12 0.00 0.46 -5.03 105.19 114.41 9pcy n GLY 10 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.31 -3.60 1.61 2.88 -1.26 -4.21 113.62 112.36 9pcy n SER 11 Ca 0.00 1.11 -0.42 0.00 -1.33 0.00 0.00 58.87 58.23 9pcy n SER 11 Cb 0.00 -1.48 -0.05 0.00 -0.75 0.00 0.00 64.21 61.93 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 2.97 4.44 -4.00 2.46 7.99 -1.26 -1.00 117.00 128.61 9pcy n LEU 12 Ca 0.14 -3.02 -0.16 0.00 -0.01 0.00 0.00 56.01 52.96 9pcy n LEU 12 Cb 0.32 -1.17 -0.14 0.00 -0.11 0.00 0.00 43.42 42.32 9pcy n LEU 12 CO 0.63 -0.14 -0.41 0.68 -1.51 0.00 0.00 177.39 176.64 9pcy s VAL 13 N 4.70 0.53 0.13 4.08 -7.23 -1.26 -3.94 120.40 117.41 9pcy s VAL 13 Ca 0.55 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 9pcy s VAL 13 Cb 0.14 -0.47 -0.06 0.00 0.56 0.00 0.00 36.38 36.54 9pcy s VAL 13 CO 0.09 0.06 0.99 -0.36 -0.31 0.00 0.00 175.10 175.56 9pcy s PHE 14 N -0.36 3.78 -0.30 2.82 0.40 -1.26 -1.91 117.98 121.15 9pcy s PHE 14 Ca 0.01 1.77 0.04 0.00 -0.60 0.00 0.00 56.93 58.14 9pcy s PHE 14 Cb -0.04 -3.09 0.08 0.00 0.51 0.00 0.00 43.02 40.48 9pcy s PHE 14 CO -0.00 0.07 -0.02 0.08 0.70 0.00 0.00 175.22 176.05 9pcy s VAL 15 N -0.12 2.22 0.80 -0.44 1.01 -0.23 -1.79 120.40 121.86 9pcy s VAL 15 Ca 0.47 -2.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 9pcy s VAL 15 Cb -0.25 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.70 9pcy s VAL 15 CO 0.31 -0.35 1.09 -2.16 0.00 0.00 0.00 175.10 173.99 9pcy s PRO 16 N 0.99 2.03 -0.13 2.72 0.04 -1.26 -0.55 135.00 138.83 9pcy s PRO 16 Ca 0.02 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 9pcy s PRO 16 Cb -0.19 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 9pcy s PRO 16 CO -0.07 -1.68 -0.24 -1.13 0.04 0.00 0.00 177.00 173.92 9pcy n SER 17 N -3.49 1.47 -4.56 6.66 3.41 -0.74 -4.86 113.62 111.51 9pcy n SER 17 Ca 0.07 0.33 -0.36 0.00 -0.26 0.00 0.00 58.87 58.65 9pcy n SER 17 Cb 0.56 -0.71 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 9pcy n SER 17 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 9pcy s GLU 18 N -2.35 3.86 0.32 4.33 2.12 -1.26 -0.61 118.70 125.12 9pcy s GLU 18 Ca -0.20 -0.38 -0.16 0.00 0.36 0.00 0.00 54.97 54.59 9pcy s GLU 18 Cb 0.03 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 31.08 9pcy s GLU 18 CO 0.29 -0.00 0.70 -0.59 -0.54 0.00 0.00 175.26 175.12 9pcy s PHE 19 N 1.15 0.10 0.08 5.30 -0.71 -0.63 -4.97 117.98 118.32 9pcy s PHE 19 Ca 0.05 -0.62 0.08 0.00 -1.04 0.00 0.00 56.93 55.40 9pcy s PHE 19 Cb -0.14 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 9pcy s PHE 19 CO 0.04 -1.34 -0.19 -1.54 -1.34 0.00 0.00 175.22 170.85 9pcy s SER 20 N -3.02 3.78 -0.03 1.98 1.04 -1.26 -0.77 113.70 115.42 9pcy s SER 20 Ca 0.16 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.05 9pcy s SER 20 Cb -0.05 -0.54 0.02 0.00 0.10 0.00 0.00 66.02 65.56 9pcy s SER 20 CO 0.10 0.21 0.07 0.54 0.98 0.00 0.00 173.24 175.15 9pcy s VAL 21 N -1.04 -0.02 0.43 5.02 0.11 -0.13 -4.88 120.40 119.89 9pcy s VAL 21 Ca 0.16 0.08 -0.26 0.00 -2.93 0.00 0.00 61.98 59.03 9pcy s VAL 21 Cb -0.10 -0.12 -0.08 0.00 -1.53 0.00 0.00 36.38 34.54 9pcy s VAL 21 CO 0.08 0.03 1.37 -2.84 -3.33 0.00 0.00 175.10 170.41 9pcy s PRO 22 N 0.44 3.82 -0.28 1.54 0.02 -1.26 -0.38 135.00 138.90 9pcy s PRO 22 Ca -0.03 2.30 -0.41 0.00 0.02 0.00 0.00 61.00 62.87 9pcy s PRO 22 Cb -0.05 -2.70 -0.17 0.00 0.02 0.00 0.00 34.50 31.60 9pcy s PRO 22 CO -0.02 -0.66 1.64 0.43 -0.33 0.00 0.00 177.00 178.06 9pcy n SER 23 N -0.04 1.93 0.00 2.53 7.64 0.30 -0.93 113.62 125.05 9pcy n SER 23 Ca 0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.03 9pcy n SER 23 Cb 0.43 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 3.85 1.68 3.79 0.23 0.00 0.29 -4.95 105.19 110.07 9pcy n GLY 24 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.25 4.00 -0.01 1.61 2.12 -0.11 -4.67 118.70 121.39 9pcy s GLU 25 Ca 0.00 1.45 -0.16 0.00 0.36 0.00 0.00 54.97 56.63 9pcy s GLU 25 Cb 0.00 -2.34 -0.06 0.00 0.26 0.00 0.00 34.13 31.99 9pcy s GLU 25 CO 0.00 -0.28 0.43 -1.59 -0.54 0.00 0.00 175.26 173.28 9pcy s LYS 26 N -2.83 3.99 -0.12 4.30 -2.85 -1.26 -3.50 119.74 117.47 9pcy s LYS 26 Ca 0.62 0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 55.99 9pcy s LYS 26 Cb -0.20 -3.25 -0.04 0.00 -2.06 0.00 0.00 37.83 32.29 9pcy s LYS 26 CO 0.24 0.63 0.04 0.42 0.10 0.00 0.00 175.35 176.78 9pcy s ILE 27 N -0.90 4.61 -0.36 3.79 1.01 0.47 -1.89 121.20 127.95 9pcy s ILE 27 Ca 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.79 9pcy s ILE 27 Cb -0.17 -2.99 0.10 0.00 0.01 0.00 0.00 42.46 39.41 9pcy s ILE 27 CO 0.14 0.56 0.09 -0.69 0.00 0.00 0.00 174.94 175.04 9pcy s VAL 28 N -0.51 2.58 -0.69 2.92 1.01 0.31 -1.04 120.40 124.98 9pcy s VAL 28 Ca 0.10 -2.24 -0.25 0.00 0.00 0.00 0.00 61.98 59.59 9pcy s VAL 28 Cb -0.12 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.46 9pcy s VAL 28 CO 0.02 -0.61 1.10 -0.36 0.00 0.00 0.00 175.10 175.25 9pcy s PHE 29 N 0.98 2.50 -0.19 5.22 0.40 0.35 -0.42 117.98 126.81 9pcy s PHE 29 Ca 0.10 -0.32 -0.18 0.00 -0.60 0.00 0.00 56.93 55.92 9pcy s PHE 29 Cb -0.20 -4.44 -0.03 0.00 0.51 0.00 0.00 43.02 38.85 9pcy s PHE 29 CO -0.07 -1.84 0.50 0.21 0.70 0.00 0.00 175.22 174.72 9pcy s LYS 30 N 4.80 4.20 -0.23 0.44 2.20 0.55 -0.56 119.74 131.14 9pcy s LYS 30 Ca 0.28 0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 55.99 9pcy s LYS 30 Cb -0.13 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 9pcy s LYS 30 CO 0.12 -0.10 2.03 1.21 -0.36 0.00 0.00 175.35 178.26 9pcy s ASN 31 N 1.08 5.72 0.00 1.43 2.47 0.25 -0.80 114.94 125.09 9pcy s ASN 31 Ca 0.24 1.75 0.00 0.00 0.42 0.00 0.00 52.86 55.27 9pcy s ASN 31 Cb -0.15 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 9pcy s ASN 31 CO 0.09 -1.77 0.00 -3.20 -3.72 0.00 0.00 177.10 168.51 9pcy n ASN 32 N 10.73 0.00 -3.52 -4.21 5.15 -0.96 -0.65 115.26 121.81 9pcy n ASN 32 Ca 0.26 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.13 9pcy n ASN 32 Cb 0.45 -0.18 -0.04 0.00 -0.53 0.00 0.00 39.78 39.49 9pcy n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 9pcy s ALA 33 N -4.28 0.16 -1.57 5.20 0.00 -1.03 -4.78 121.76 115.46 9pcy s ALA 33 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 9pcy s ALA 33 Cb 0.00 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.18 9pcy s ALA 33 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 9pcy n GLY 34 N -0.48 1.46 3.86 0.00 0.00 -1.26 -3.96 105.19 104.81 9pcy n GLY 34 Ca -0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.37 2.83 0.86 1.61 -0.12 -1.26 -4.79 117.98 114.74 9pcy s PHE 35 Ca 0.00 0.81 -0.10 0.00 -0.05 0.00 0.00 56.93 57.59 9pcy s PHE 35 Cb 0.00 -3.43 0.11 0.00 -0.63 0.00 0.00 43.02 39.07 9pcy s PHE 35 CO 0.00 -1.93 1.12 -2.14 -0.05 0.00 0.00 175.22 172.22 9pcy s PRO 36 N -5.46 1.50 0.35 1.99 0.02 -1.26 -5.09 135.00 127.04 9pcy s PRO 36 Ca 0.62 1.37 -0.08 0.00 0.02 0.00 0.00 61.00 62.93 9pcy s PRO 36 Cb -0.12 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.62 9pcy s PRO 36 CO 0.51 -2.24 0.58 -1.01 -0.33 0.00 0.00 177.00 174.50 9pcy s HIS 37 N -2.76 0.69 0.22 6.54 3.76 -0.76 -4.95 115.29 118.03 9pcy s HIS 37 Ca 0.64 -1.07 -0.23 0.00 -0.15 0.00 0.00 55.06 54.25 9pcy s HIS 37 Cb -0.20 0.24 0.04 0.00 1.11 0.00 0.00 32.58 33.77 9pcy s HIS 37 CO 0.57 -1.26 0.82 0.54 -0.85 0.00 0.00 174.74 174.56 9pcy s ASN 38 N -3.16 -0.23 -0.29 1.40 2.20 -1.26 0.43 114.94 114.03 9pcy s ASN 38 Ca 0.25 -0.51 0.02 0.00 -0.94 0.00 0.00 52.86 51.68 9pcy s ASN 38 Cb -0.02 0.62 0.08 0.00 -2.00 0.00 0.00 41.25 39.93 9pcy s ASN 38 CO 0.16 -1.14 0.00 -0.69 -2.94 0.00 0.00 177.10 172.49 9pcy s VAL 39 N -3.63 1.78 -0.08 3.54 1.01 -1.26 -4.02 120.40 117.74 9pcy s VAL 39 Ca 0.11 -1.72 0.03 0.00 0.00 0.00 0.00 61.98 60.40 9pcy s VAL 39 Cb -0.04 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 9pcy s VAL 39 CO 0.05 -0.38 -0.18 -0.69 0.00 0.00 0.00 175.10 173.90 9pcy s VAL 40 N 1.21 2.68 -0.13 2.92 1.01 -0.01 -0.25 120.40 127.84 9pcy s VAL 40 Ca 0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 9pcy s VAL 40 Cb -0.19 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 9pcy s VAL 40 CO -0.10 0.56 0.13 -0.36 0.00 0.00 0.00 175.10 175.33 9pcy s PHE 41 N -0.20 3.53 -0.25 5.22 0.40 -1.26 -0.29 117.98 125.13 9pcy s PHE 41 Ca -0.01 0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 56.49 9pcy s PHE 41 Cb -0.13 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 9pcy s PHE 41 CO 0.03 0.63 1.61 0.34 0.70 0.00 0.00 175.22 178.53 9pcy s ASP 42 N -0.77 6.34 0.53 1.36 -1.08 -0.06 -4.88 116.67 118.11 9pcy s ASP 42 Ca 0.13 1.52 0.36 0.00 -0.52 0.00 0.00 52.55 54.04 9pcy s ASP 42 Cb -0.12 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.34 9pcy s ASP 42 CO 0.03 -1.31 1.79 1.05 0.52 0.00 0.00 175.17 177.26 9pcy h GLU 43 N 10.88 0.03 0.00 4.34 4.11 -1.97 -2.50 114.58 129.47 9pcy h GLU 43 Ca -0.33 -0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.90 9pcy h GLU 43 Cb 1.15 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 9pcy h GLU 43 CO 1.01 0.02 -1.09 0.22 0.07 0.00 0.00 179.01 179.24 9pcy h ASP 44 N 0.03 0.00 -0.02 3.06 3.58 -1.98 -3.41 116.42 117.69 9pcy h ASP 44 Ca 0.58 -0.56 -0.53 0.00 0.42 0.00 0.00 57.03 56.94 9pcy h ASP 44 Cb 2.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.31 9pcy h ASP 44 CO -0.03 1.42 2.61 -0.62 -2.88 0.00 0.00 179.24 179.73 9pcy n GLU 45 N -4.46 3.23 -3.75 0.28 1.02 -0.94 -4.74 120.64 111.28 9pcy n GLU 45 Ca -0.29 -1.88 -0.14 0.00 -0.02 0.00 0.00 57.16 54.84 9pcy n GLU 45 Cb 0.65 -2.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.42 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 1.76 0.05 0.05 -3.67 -4.36 -1.24 -0.83 121.20 112.96 9pcy s ILE 46 Ca 0.69 -0.40 -0.31 0.00 -0.26 0.00 0.00 60.65 60.37 9pcy s ILE 46 Cb 0.22 -0.62 -0.08 0.00 1.25 0.00 0.00 42.46 43.23 9pcy s ILE 46 CO -0.04 -0.22 1.63 -2.16 0.24 0.00 0.00 174.94 174.38 9pcy s PRO 47 N -1.17 4.21 -0.33 0.37 0.04 -1.26 -4.88 135.00 131.98 9pcy s PRO 47 Ca -0.12 2.28 -0.34 0.00 0.04 0.00 0.00 61.00 62.85 9pcy s PRO 47 Cb -0.05 -3.63 -0.11 0.00 0.04 0.00 0.00 34.50 30.76 9pcy s PRO 47 CO 0.04 -0.73 2.20 0.00 0.04 0.00 0.00 177.00 178.55 9pcy n ALA 48 N 5.71 1.17 0.00 8.56 0.00 -1.26 -2.99 120.51 131.70 9pcy n ALA 48 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 9pcy n ALA 48 Cb 0.41 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 6.47 1.47 3.52 0.00 0.00 -1.26 -5.06 105.19 110.33 9pcy n GLY 49 Ca 0.40 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 4.12 0.27 1.61 1.01 -1.16 -4.98 120.40 121.27 9pcy s VAL 50 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 9pcy s VAL 50 Cb 0.00 -4.92 -0.12 0.00 0.00 0.00 0.00 36.38 31.34 9pcy s VAL 50 CO 0.00 -1.77 1.59 -0.67 0.00 0.00 0.00 175.10 174.25 9pcy n ASP 51 N 8.29 3.72 -0.33 3.32 -0.08 -1.26 -4.86 116.55 125.35 9pcy n ASP 51 Ca 0.21 1.13 0.22 0.00 -1.51 0.00 0.00 54.79 54.84 9pcy n ASP 51 Cb 0.49 -1.57 0.41 0.00 2.34 0.00 0.00 41.12 42.80 9pcy n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 9pcy n ALA 52 N 2.37 0.71 0.03 -1.67 0.00 -1.26 -0.14 120.51 120.54 9pcy n ALA 52 Ca 0.10 1.03 0.18 0.00 0.00 0.00 0.00 53.44 54.74 9pcy n ALA 52 Cb 0.36 -0.86 0.66 0.00 0.00 0.00 0.00 19.45 19.61 9pcy n ALA 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 9pcy h VAL 53 N 0.00 0.79 0.00 0.00 2.07 -1.89 0.36 116.25 117.58 9pcy h VAL 53 Ca 0.69 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 68.20 9pcy h VAL 53 Cb 1.63 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 9pcy h VAL 53 CO -0.85 0.01 0.00 0.11 0.02 0.00 0.00 177.57 176.86 9pcy h LYS 54 N 0.04 0.00 0.00 1.57 1.57 -0.89 -3.33 116.57 115.54 9pcy h LYS 54 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 9pcy h LYS 54 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 9pcy h LYS 54 CO -0.01 0.00 -1.24 0.44 -0.57 0.00 0.00 179.45 178.07 9pcy n ILE 55 N -2.91 0.03 -2.90 1.86 -0.00 -0.18 -4.96 119.36 110.30 9pcy n ILE 55 Ca 0.03 -0.12 -0.41 0.00 -0.00 0.00 0.00 62.75 62.25 9pcy n ILE 55 Cb 0.42 0.27 -0.04 0.00 -0.00 0.00 0.00 39.64 40.28 9pcy n ILE 55 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 9pcy s SER 56 N -2.68 7.07 0.01 7.28 0.01 0.11 -4.81 113.70 120.69 9pcy s SER 56 Ca -0.02 1.30 -0.30 0.00 1.31 0.00 0.00 55.95 58.23 9pcy s SER 56 Cb 0.03 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 9pcy s SER 56 CO 0.21 -0.26 1.46 -0.32 0.41 0.00 0.00 173.24 174.74 9pcy s MET 57 N 1.39 4.26 -0.46 12.44 1.75 0.66 -4.76 119.30 134.58 9pcy s MET 57 Ca 0.41 2.05 -0.13 0.00 -1.25 0.00 0.00 55.69 56.76 9pcy s MET 57 Cb -0.18 -3.59 -0.11 0.00 2.84 0.00 0.00 34.83 33.79 9pcy s MET 57 CO 0.18 -0.62 1.22 -2.30 -0.65 0.00 0.00 175.02 172.85 9pcy n PRO 58 N 5.49 0.00 -0.30 4.11 -0.02 -1.26 -4.53 135.00 138.49 9pcy n PRO 58 Ca 0.14 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.81 9pcy n PRO 58 Cb 0.43 -0.67 0.36 0.00 -0.02 0.00 0.00 33.50 33.60 9pcy n PRO 58 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 9pcy n GLU 59 N 3.78 -0.06 0.05 -0.52 4.71 -1.26 -0.13 120.64 127.20 9pcy n GLU 59 Ca 0.30 1.30 0.05 0.00 -0.01 0.00 0.00 57.16 58.81 9pcy n GLU 59 Cb 0.02 -2.16 0.47 0.00 -1.01 0.00 0.00 31.44 28.76 9pcy n GLU 59 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 9pcy h GLU 60 N 0.00 0.42 -6.67 3.49 5.08 -2.02 -3.43 114.58 111.45 9pcy h GLU 60 Ca 0.62 -0.03 -0.46 0.00 -1.00 0.00 0.00 59.36 58.49 9pcy h GLU 60 Cb 1.44 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.62 9pcy h GLU 60 CO -0.79 0.28 -0.10 -1.21 -1.00 0.00 0.00 179.01 176.19 9pcy s GLU 61 N -5.40 3.17 -0.04 2.33 0.41 0.81 -5.12 118.70 114.85 9pcy s GLU 61 Ca -0.08 -0.43 -0.07 0.00 -0.41 0.00 0.00 54.97 53.99 9pcy s GLU 61 Cb 0.17 -2.57 0.01 0.00 -1.78 0.00 0.00 34.13 29.97 9pcy s GLU 61 CO 0.72 -0.19 0.17 -0.51 -0.49 0.00 0.00 175.26 174.96 9pcy s LEU 62 N -4.52 1.38 -0.57 1.80 1.02 -1.26 -4.81 118.68 111.72 9pcy s LEU 62 Ca 0.47 0.18 -0.28 0.00 0.02 0.00 0.00 54.13 54.52 9pcy s LEU 62 Cb -0.10 0.65 0.02 0.00 0.02 0.00 0.00 46.19 46.78 9pcy s LEU 62 CO 0.38 -0.16 1.31 -0.76 0.02 0.00 0.00 176.35 177.13 9pcy s LEU 63 N -0.39 3.43 -0.23 1.79 1.43 0.17 -4.86 118.68 120.01 9pcy s LEU 63 Ca -0.05 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 9pcy s LEU 63 Cb -0.03 -3.12 -0.10 0.00 0.03 0.00 0.00 46.19 42.97 9pcy s LEU 63 CO 0.01 -1.59 -0.33 -0.46 0.23 0.00 0.00 176.35 174.20 9pcy n ASN 64 N 9.00 1.85 -4.75 2.29 6.94 -1.26 -1.83 115.26 127.50 9pcy n ASN 64 Ca 0.10 0.32 -0.41 0.00 -0.02 0.00 0.00 54.58 54.57 9pcy n ASN 64 Cb 0.49 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 37.12 9pcy n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 9pcy s ALA 65 N -2.59 3.45 0.60 -2.53 0.00 -1.26 -4.72 121.76 114.71 9pcy s ALA 65 Ca -0.34 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 9pcy s ALA 65 Cb 0.11 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 9pcy s ALA 65 CO 0.44 -0.39 1.24 -1.25 0.00 0.00 0.00 175.76 175.81 9pcy s PRO 66 N -0.68 2.87 0.00 0.00 0.04 -1.26 -3.33 135.00 132.64 9pcy s PRO 66 Ca 0.51 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.47 9pcy s PRO 66 Cb -0.34 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.27 9pcy s PRO 66 CO 0.40 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.54 9pcy n GLY 67 N 0.64 2.90 3.68 0.56 0.00 0.18 -4.98 105.19 108.17 9pcy n GLY 67 Ca 0.14 -0.38 -0.60 0.00 0.00 0.00 0.00 46.02 45.17 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 0.73 -3.65 1.61 1.02 -1.21 -4.29 120.64 114.85 9pcy n GLU 68 Ca 0.00 0.26 -0.37 0.00 -0.02 0.00 0.00 57.16 57.03 9pcy n GLU 68 Cb 0.00 -1.91 -0.11 0.00 -0.02 0.00 0.00 31.44 29.40 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 3.80 5.01 -0.42 2.62 -4.23 -1.26 -0.58 115.64 120.58 9pcy s THR 69 Ca 1.03 0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 61.46 9pcy s THR 69 Cb -1.21 -3.37 0.04 0.00 1.34 0.00 0.00 72.50 69.30 9pcy s THR 69 CO 0.70 0.29 0.31 -0.47 -0.54 0.00 0.00 174.62 174.90 9pcy s TYR 70 N 1.65 3.25 -0.01 3.99 5.04 0.27 -4.91 117.35 126.63 9pcy s TYR 70 Ca 0.07 -0.84 -0.14 0.00 -2.44 0.00 0.00 57.07 53.72 9pcy s TYR 70 Cb -0.16 -2.78 -0.06 0.00 0.35 0.00 0.00 41.96 39.32 9pcy s TYR 70 CO 0.08 -0.69 0.38 0.08 -1.34 0.00 0.00 175.55 174.07 9pcy s VAL 71 N 1.62 5.07 -0.09 3.14 1.01 -1.26 -0.50 120.40 129.40 9pcy s VAL 71 Ca 0.04 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 9pcy s VAL 71 Cb -0.21 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.51 9pcy s VAL 71 CO 0.08 0.58 0.30 0.54 0.00 0.00 0.00 175.10 176.60 9pcy s VAL 72 N -1.05 0.02 -0.16 2.92 0.11 -0.21 -5.00 120.40 117.03 9pcy s VAL 72 Ca 0.23 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 9pcy s VAL 72 Cb -0.16 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 9pcy s VAL 72 CO 0.12 -0.08 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.76 9pcy s THR 73 N -0.23 2.52 -0.52 5.04 2.01 -1.26 -0.39 115.64 122.80 9pcy s THR 73 Ca -0.04 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 9pcy s THR 73 Cb -0.03 -2.06 0.13 0.00 0.01 0.00 0.00 72.50 70.55 9pcy s THR 73 CO 0.01 0.52 0.41 -0.76 -0.69 0.00 0.00 174.62 174.11 9pcy s LEU 74 N 0.91 5.84 -0.06 4.42 1.43 -1.23 -4.96 118.68 125.03 9pcy s LEU 74 Ca -0.04 -2.03 -0.13 0.00 -1.03 0.00 0.00 54.13 50.91 9pcy s LEU 74 Cb -0.15 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 9pcy s LEU 74 CO -0.02 -0.69 0.52 -0.78 0.23 0.00 0.00 176.35 175.61 9pcy h ASP 75 N 8.37 -0.26 -3.02 2.29 3.58 -1.89 0.84 116.42 126.33 9pcy h ASP 75 Ca -0.19 -0.11 -0.53 0.00 0.42 0.00 0.00 57.03 56.62 9pcy h ASP 75 Cb 1.07 0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.20 9pcy h ASP 75 CO 0.87 0.24 0.72 -0.89 -2.88 0.00 0.00 179.24 177.30 9pcy s THR 76 N -2.82 3.54 0.74 2.25 2.01 -1.26 -3.78 115.64 116.32 9pcy s THR 76 Ca -0.07 1.07 -0.14 0.00 0.31 0.00 0.00 61.69 62.86 9pcy s THR 76 Cb 0.00 -3.69 0.05 0.00 0.01 0.00 0.00 72.50 68.87 9pcy s THR 76 CO 0.25 0.06 1.15 -0.54 -0.69 0.00 0.00 174.62 174.85 9pcy s LYS 77 N 1.40 2.19 0.00 4.92 1.02 -1.26 -4.85 119.74 123.15 9pcy s LYS 77 Ca 0.63 1.54 0.00 0.00 0.02 0.00 0.00 55.97 58.16 9pcy s LYS 77 Cb -0.34 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 9pcy s LYS 77 CO 0.29 -1.75 0.00 0.41 -0.92 0.00 0.00 175.35 173.38 9pcy n GLY 78 N -0.13 0.74 3.22 -3.33 0.00 -0.82 -4.80 105.19 100.07 9pcy n GLY 78 Ca 0.12 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.43 2.48 -0.17 2.61 2.01 -1.26 0.09 115.64 118.96 9pcy s THR 79 Ca 0.00 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 9pcy s THR 79 Cb 0.00 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 9pcy s THR 79 CO 0.00 0.52 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.02 9pcy s TYR 80 N 0.96 2.85 -0.16 4.92 1.51 0.08 -3.90 117.35 123.61 9pcy s TYR 80 Ca -0.03 -0.98 -0.09 0.00 -1.01 0.00 0.00 57.07 54.97 9pcy s TYR 80 Cb -0.15 -1.95 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 9pcy s TYR 80 CO -0.03 -0.47 0.14 -1.12 -1.11 0.00 0.00 175.55 172.96 9pcy s SER 81 N 0.95 6.30 0.22 2.29 0.01 -0.01 -0.56 113.70 122.90 9pcy s SER 81 Ca -0.02 0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.61 9pcy s SER 81 Cb -0.15 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 9pcy s SER 81 CO -0.01 0.28 0.04 0.72 0.41 0.00 0.00 173.24 174.67 9pcy s PHE 82 N -0.23 1.44 0.22 2.43 -0.12 0.01 -0.88 117.98 120.83 9pcy s PHE 82 Ca 0.11 -1.06 -0.21 0.00 -0.05 0.00 0.00 56.93 55.73 9pcy s PHE 82 Cb -0.12 -0.83 0.04 0.00 -0.63 0.00 0.00 43.02 41.48 9pcy s PHE 82 CO 0.01 -0.22 0.63 1.52 -0.05 0.00 0.00 175.22 177.11 9pcy s TYR 83 N -3.63 -0.30 -0.55 3.49 -0.85 0.60 -0.40 117.35 115.71 9pcy s TYR 83 Ca 0.31 -0.04 -0.10 0.00 -0.52 0.00 0.00 57.07 56.72 9pcy s TYR 83 Cb 0.07 0.58 0.14 0.00 0.38 0.00 0.00 41.96 43.13 9pcy s TYR 83 CO 0.09 -1.02 0.43 0.00 -1.52 0.00 0.00 175.55 173.53 9pcy n SER 85 N 4.59 -0.32 0.21 0.00 3.41 -1.26 -0.31 113.62 119.94 9pcy n SER 85 Ca -0.03 0.79 0.15 0.00 -0.26 0.00 0.00 58.87 59.52 9pcy n SER 85 Cb 0.41 -0.20 0.75 0.00 -0.26 0.00 0.00 64.21 64.92 9pcy n SER 85 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 9pcy h PRO 86 N 0.00 0.00 -0.03 4.33 0.13 -1.96 -1.85 132.00 132.63 9pcy h PRO 86 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 9pcy h PRO 86 Cb 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 9pcy h PRO 86 CO -0.28 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.21 9pcy n HIS 87 N -2.53 0.04 -0.00 1.56 8.25 0.57 -4.72 115.22 118.39 9pcy n HIS 87 Ca -0.01 -0.46 -0.10 0.00 -0.26 0.00 0.00 57.72 56.88 9pcy n HIS 87 Cb 0.08 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 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 0.20 0.04 -0.28 -0.41 4.15 0.11 0.91 115.11 119.83 9pcy h GLN 88 Ca 0.00 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 9pcy h GLN 88 Cb 0.49 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 9pcy h GLN 88 CO 0.00 0.02 0.20 0.78 -1.93 0.00 0.00 178.83 177.90 9pcy h GLY 89 N 0.04 0.05 -0.22 2.39 0.00 -1.85 0.52 103.07 104.00 9pcy h GLY 89 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.37 9pcy h GLY 89 CO -0.09 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.46 9pcy n ALA 90 N -2.58 2.55 -0.63 3.60 0.00 -0.34 -4.90 120.51 118.20 9pcy n ALA 90 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.16 9pcy n ALA 90 Cb 0.33 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.92 0.67 3.36 0.00 0.00 0.17 -4.98 105.19 105.34 9pcy n GLY 91 Ca 0.13 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.63 2.94 -4.55 1.61 0.00 0.17 -4.86 117.12 109.80 9pcy n MET 92 Ca 0.00 -3.01 -0.25 0.00 -0.00 0.00 0.00 57.70 54.44 9pcy n MET 92 Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 33.22 29.66 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 4.54 1.74 0.26 1.12 -7.23 -1.26 -1.18 120.40 118.39 9pcy s VAL 93 Ca 0.54 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 58.47 9pcy s VAL 93 Cb 0.06 -2.86 0.04 0.00 0.56 0.00 0.00 36.38 34.18 9pcy s VAL 93 CO 0.04 -0.04 0.82 -0.83 -0.31 0.00 0.00 175.10 174.78 9pcy s GLY 94 N -3.61 -0.03 -0.14 2.32 0.00 0.47 -4.53 107.32 101.80 9pcy s GLY 94 Ca 0.35 -0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.64 9pcy s GLY 94 CO 0.17 0.09 0.41 1.25 0.00 0.00 0.00 173.10 175.01 9pcy s LYS 95 N -3.31 0.51 -0.06 2.90 2.20 0.22 -0.81 119.74 121.38 9pcy s LYS 95 Ca 0.13 0.48 0.01 0.00 -0.36 0.00 0.00 55.97 56.22 9pcy s LYS 95 Cb -0.04 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 9pcy s LYS 95 CO 0.06 -0.08 -0.05 0.54 -0.36 0.00 0.00 175.35 175.46 9pcy s VAL 96 N 0.01 0.67 -0.48 4.02 0.11 0.27 -1.60 120.40 123.40 9pcy s VAL 96 Ca -0.02 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 58.70 9pcy s VAL 96 Cb -0.03 -0.70 0.06 0.00 -1.53 0.00 0.00 36.38 34.18 9pcy s VAL 96 CO 0.01 0.27 0.50 -0.89 -3.33 0.00 0.00 175.10 171.66 9pcy s THR 97 N 1.19 5.06 -0.66 5.04 2.01 0.05 -0.74 115.64 127.60 9pcy s THR 97 Ca -0.06 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 9pcy s THR 97 Cb -0.14 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.21 9pcy s THR 97 CO -0.02 -0.66 1.24 -0.69 -0.69 0.00 0.00 174.62 173.81 9pcy s VAL 98 N 2.12 3.86 -2.22 3.82 1.01 0.11 -0.96 120.40 128.15 9pcy s VAL 98 Ca 0.10 0.65 0.30 0.00 0.00 0.00 0.00 61.98 63.03 9pcy s VAL 98 Cb -0.21 -4.82 0.75 0.00 0.00 0.00 0.00 36.38 32.10 9pcy s VAL 98 CO 0.10 -1.60 2.02 0.59 0.00 0.00 0.00 175.10 176.21