#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 4.32 -0.15 1.96 2.02 -1.26 -0.41 118.70 125.19 9pcy s GLU 2 Ca 0.00 0.53 0.02 0.00 0.02 0.00 0.00 54.97 55.54 9pcy s GLU 2 Cb 0.00 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.77 9pcy s GLU 2 CO 0.00 0.06 -0.21 0.08 0.02 0.00 0.00 175.26 175.21 9pcy s VAL 3 N 0.92 2.00 -0.24 2.63 1.01 0.18 -4.59 120.40 122.31 9pcy s VAL 3 Ca 0.28 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 9pcy s VAL 3 Cb -0.16 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 9pcy s VAL 3 CO 0.11 0.54 0.32 -0.76 0.00 0.00 0.00 175.10 175.31 9pcy s LEU 4 N 0.94 4.09 -0.69 3.92 1.43 0.33 -0.22 118.68 128.49 9pcy s LEU 4 Ca -0.04 0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 9pcy s LEU 4 Cb -0.15 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.75 9pcy s LEU 4 CO -0.04 -0.08 1.27 -0.76 0.23 0.00 0.00 176.35 176.97 9pcy s LEU 5 N 1.56 3.25 0.00 1.79 2.01 0.36 -0.80 118.68 126.85 9pcy s LEU 5 Ca 0.14 -0.25 0.00 0.00 0.01 0.00 0.00 54.13 54.03 9pcy s LEU 5 Cb -0.15 -2.75 0.00 0.00 0.01 0.00 0.00 46.19 43.30 9pcy s LEU 5 CO 0.08 -1.75 0.00 0.61 1.01 0.00 0.00 176.35 176.31 9pcy n GLY 6 N 5.29 2.61 2.04 -3.19 0.00 0.74 -1.09 105.19 111.60 9pcy n GLY 6 Ca 0.05 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 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 5.78 0.00 1.61 3.41 -1.25 -4.44 113.62 118.73 9pcy n SER 7 Ca 0.00 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 9pcy n SER 7 Cb 0.00 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 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 1.57 0.92 1.25 5.00 0.00 -1.26 -4.64 105.19 108.02 9pcy n GLY 8 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 2.16 2.55 0.00 1.61 5.75 -1.26 -4.73 116.55 122.62 9pcy n ASP 9 Ca 0.00 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 9pcy n ASP 9 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 1.04 0.00 3.77 6.12 0.00 -1.26 -4.94 105.19 109.91 9pcy n GLY 10 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.73 6.70 -1.37 1.61 0.15 -1.26 -4.03 113.70 113.77 9pcy s SER 11 Ca 0.00 2.54 -0.13 0.00 0.70 0.00 0.00 55.95 59.06 9pcy s SER 11 Cb 0.00 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 9pcy s SER 11 CO 0.00 -0.57 2.38 0.18 1.20 0.00 0.00 173.24 176.43 9pcy n LEU 12 N 0.56 6.87 -4.01 3.45 4.77 -1.26 -3.75 117.00 123.64 9pcy n LEU 12 Ca 0.01 -3.94 -0.11 0.00 -0.03 0.00 0.00 56.01 51.95 9pcy n LEU 12 Cb 0.44 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 39.90 9pcy n LEU 12 CO 0.56 1.14 -0.38 0.54 -1.33 0.00 0.00 177.39 177.92 9pcy s VAL 13 N 3.18 0.28 -0.17 4.08 0.11 -1.26 -4.11 120.40 122.50 9pcy s VAL 13 Ca 0.54 -0.98 -0.18 0.00 -2.93 0.00 0.00 61.98 58.43 9pcy s VAL 13 Cb 0.15 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 9pcy s VAL 13 CO -0.05 -0.46 0.48 -0.36 -3.33 0.00 0.00 175.10 171.38 9pcy s PHE 14 N -1.45 3.42 -0.32 1.54 0.40 -1.26 -0.18 117.98 120.13 9pcy s PHE 14 Ca -0.13 0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 56.96 9pcy s PHE 14 Cb -0.10 -2.60 0.06 0.00 0.51 0.00 0.00 43.02 40.90 9pcy s PHE 14 CO -0.01 0.01 0.03 0.08 0.70 0.00 0.00 175.22 176.03 9pcy s VAL 15 N 1.23 2.90 0.58 -0.44 1.01 0.02 -1.21 120.40 124.49 9pcy s VAL 15 Ca 0.23 -1.60 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 9pcy s VAL 15 Cb -0.15 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 9pcy s VAL 15 CO 0.09 -0.24 1.03 -2.16 0.00 0.00 0.00 175.10 173.82 9pcy s PRO 16 N 1.19 3.56 -0.15 2.72 0.04 -1.26 -0.51 135.00 140.59 9pcy s PRO 16 Ca -0.02 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 9pcy s PRO 16 Cb -0.20 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 9pcy s PRO 16 CO -0.03 -0.60 0.20 0.77 0.04 0.00 0.00 177.00 177.38 9pcy h SER 17 N 0.40 0.00 -3.45 6.66 0.02 -1.50 -3.47 113.55 112.21 9pcy h SER 17 Ca -0.46 -0.37 -0.66 0.00 -0.84 0.00 0.00 61.79 59.46 9pcy h SER 17 Cb 1.20 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.48 9pcy h SER 17 CO 0.59 0.92 -0.76 -1.61 -1.14 0.00 0.00 176.83 174.84 9pcy s GLU 18 N -2.08 3.23 0.31 3.45 2.02 -1.26 -0.62 118.70 123.75 9pcy s GLU 18 Ca -0.15 -0.68 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 9pcy s GLU 18 Cb 0.01 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.71 9pcy s GLU 18 CO 0.37 0.29 0.70 1.97 0.02 0.00 0.00 175.26 178.61 9pcy n PHE 19 N 3.29 -2.05 -3.87 1.61 -1.74 -0.13 -4.94 117.46 109.63 9pcy n PHE 19 Ca -0.18 -1.52 -0.12 0.00 -0.56 0.00 0.00 57.45 55.08 9pcy n PHE 19 Cb 0.53 0.76 -0.14 0.00 1.52 0.00 0.00 39.48 42.14 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 -2.80 0.01 0.02 5.98 1.04 -1.26 -0.45 113.70 116.23 9pcy s SER 20 Ca 0.14 -0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 9pcy s SER 20 Cb -0.04 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.09 9pcy s SER 20 CO 0.09 -0.01 0.16 0.68 0.98 0.00 0.00 173.24 175.15 9pcy s VAL 21 N -0.04 0.10 0.55 5.02 -7.23 -0.06 -4.90 120.40 113.84 9pcy s VAL 21 Ca -0.00 -0.80 -0.18 0.00 -1.81 0.00 0.00 61.98 59.18 9pcy s VAL 21 Cb -0.00 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 9pcy s VAL 21 CO -0.00 -0.44 1.09 -2.16 -0.31 0.00 0.00 175.10 173.28 9pcy s PRO 22 N -1.93 3.38 -0.00 4.82 0.04 -1.26 -0.49 135.00 139.55 9pcy s PRO 22 Ca -0.10 1.46 -0.37 0.00 0.04 0.00 0.00 61.00 62.02 9pcy s PRO 22 Cb -0.04 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 9pcy s PRO 22 CO -0.01 -0.80 1.49 0.43 0.04 0.00 0.00 177.00 178.15 9pcy n SER 23 N -1.49 2.08 0.00 6.66 7.64 0.56 -1.29 113.62 127.77 9pcy n SER 23 Ca 0.10 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.08 9pcy n SER 23 Cb 0.52 -1.21 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 3.12 1.23 3.77 0.23 0.00 0.18 -4.95 105.19 108.77 9pcy n GLY 24 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.65 4.28 0.59 1.61 -6.30 -0.41 -4.73 118.70 113.09 9pcy s GLU 25 Ca 0.00 1.93 -0.09 0.00 -2.50 0.00 0.00 54.97 54.31 9pcy s GLU 25 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 34.13 31.19 9pcy s GLU 25 CO 0.00 -0.15 0.97 -1.59 0.02 0.00 0.00 175.26 174.51 9pcy s LYS 26 N -1.95 3.51 -0.06 4.30 -2.85 -1.26 -3.66 119.74 117.78 9pcy s LYS 26 Ca 0.52 0.57 0.01 0.00 -1.00 0.00 0.00 55.97 56.07 9pcy s LYS 26 Cb -0.33 -2.16 0.02 0.00 -2.06 0.00 0.00 37.83 33.30 9pcy s LYS 26 CO 0.43 -0.51 -0.08 0.42 0.10 0.00 0.00 175.35 175.70 9pcy s ILE 27 N -3.08 0.84 -0.42 3.79 1.01 0.47 -0.71 121.20 123.11 9pcy s ILE 27 Ca 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.89 9pcy s ILE 27 Cb -0.11 -0.81 0.11 0.00 0.01 0.00 0.00 42.46 41.66 9pcy s ILE 27 CO 0.51 0.30 0.17 -0.69 0.00 0.00 0.00 174.94 175.23 9pcy s VAL 28 N 0.86 2.87 -0.77 2.92 1.01 0.45 -0.96 120.40 126.79 9pcy s VAL 28 Ca -0.12 -2.39 -0.22 0.00 0.00 0.00 0.00 61.98 59.26 9pcy s VAL 28 Cb -0.15 -3.01 0.08 0.00 0.00 0.00 0.00 36.38 33.30 9pcy s VAL 28 CO 0.01 -0.69 1.10 -0.36 0.00 0.00 0.00 175.10 175.16 9pcy s PHE 29 N 0.79 2.71 -0.12 5.22 0.08 0.21 -0.65 117.98 126.22 9pcy s PHE 29 Ca 0.11 -0.71 -0.19 0.00 0.12 0.00 0.00 56.93 56.25 9pcy s PHE 29 Cb -0.21 -4.38 -0.04 0.00 -0.57 0.00 0.00 43.02 37.82 9pcy s PHE 29 CO -0.05 -1.70 0.54 0.21 -0.10 0.00 0.00 175.22 174.12 9pcy s LYS 30 N 4.06 4.34 -0.17 0.44 2.20 0.70 -0.58 119.74 130.72 9pcy s LYS 30 Ca 0.29 0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 56.16 9pcy s LYS 30 Cb -0.11 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 9pcy s LYS 30 CO 0.04 0.08 1.61 1.21 -0.36 0.00 0.00 175.35 177.93 9pcy s ASN 31 N 0.75 6.49 -0.05 1.43 2.47 0.31 -0.49 114.94 125.85 9pcy s ASN 31 Ca 0.28 1.81 -0.06 0.00 0.42 0.00 0.00 52.86 55.31 9pcy s ASN 31 Cb -0.16 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.09 9pcy s ASN 31 CO 0.12 -1.14 -0.11 -3.20 -3.72 0.00 0.00 177.10 169.05 9pcy n ASN 32 N 7.99 0.68 -3.82 -4.21 5.15 -0.25 -0.54 115.26 120.26 9pcy n ASN 32 Ca 0.18 0.11 -0.07 0.00 -0.60 0.00 0.00 54.58 54.20 9pcy n ASN 32 Cb 0.44 -0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 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 -2.80 -1.26 -0.83 5.20 0.00 -0.60 -4.79 121.76 116.68 9pcy s ALA 33 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.63 9pcy s ALA 33 Cb 0.01 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.98 9pcy s ALA 33 CO 0.13 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.28 9pcy n GLY 34 N -0.45 0.97 3.71 0.00 0.00 -1.26 -3.76 105.19 104.40 9pcy n GLY 34 Ca -0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.24 2.26 0.72 1.61 -0.12 -1.26 -4.81 117.98 114.14 9pcy s PHE 35 Ca 0.00 0.99 -0.12 0.00 -0.05 0.00 0.00 56.93 57.75 9pcy s PHE 35 Cb 0.00 -3.28 0.03 0.00 -0.63 0.00 0.00 43.02 39.14 9pcy s PHE 35 CO 0.00 -2.66 1.09 -1.25 -0.05 0.00 0.00 175.22 172.35 9pcy s PRO 36 N -5.05 2.57 0.10 1.99 0.04 -1.26 -5.09 135.00 128.30 9pcy s PRO 36 Ca 0.64 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 9pcy s PRO 36 Cb -0.17 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 9pcy s PRO 36 CO 0.56 -1.41 0.20 -1.01 0.04 0.00 0.00 177.00 175.38 9pcy s HIS 37 N -2.76 0.20 0.36 0.56 3.76 -0.11 -4.92 115.29 112.39 9pcy s HIS 37 Ca 0.62 -0.63 -0.14 0.00 -0.15 0.00 0.00 55.06 54.77 9pcy s HIS 37 Cb -0.17 -0.07 0.04 0.00 1.11 0.00 0.00 32.58 33.49 9pcy s HIS 37 CO 0.51 -0.57 0.72 0.54 -0.85 0.00 0.00 174.74 175.09 9pcy s ASN 38 N -2.88 0.15 -0.16 1.40 2.20 -1.26 0.18 114.94 114.57 9pcy s ASN 38 Ca 0.07 -1.16 -0.02 0.00 -0.94 0.00 0.00 52.86 50.82 9pcy s ASN 38 Cb 0.05 0.80 0.05 0.00 -2.00 0.00 0.00 41.25 40.14 9pcy s ASN 38 CO -0.09 -1.57 -0.01 -0.69 -2.94 0.00 0.00 177.10 171.80 9pcy s VAL 39 N -2.64 0.73 -0.09 3.54 1.01 -1.26 -4.07 120.40 117.62 9pcy s VAL 39 Ca 0.18 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.74 9pcy s VAL 39 Cb -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 9pcy s VAL 39 CO 0.13 0.01 -0.22 -0.69 0.00 0.00 0.00 175.10 174.32 9pcy s VAL 40 N 1.79 2.23 -0.05 2.92 1.01 0.43 -0.70 120.40 128.03 9pcy s VAL 40 Ca 0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 9pcy s VAL 40 Cb -0.15 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 9pcy s VAL 40 CO -0.07 0.56 0.38 -0.36 0.00 0.00 0.00 175.10 175.61 9pcy s PHE 41 N 0.14 3.64 -0.50 5.22 0.08 -1.26 -0.30 117.98 124.99 9pcy s PHE 41 Ca -0.12 0.88 -0.28 0.00 0.12 0.00 0.00 56.93 57.54 9pcy s PHE 41 Cb -0.16 -2.32 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 9pcy s PHE 41 CO 0.06 0.51 1.71 0.34 -0.10 0.00 0.00 175.22 177.75 9pcy s ASP 42 N -0.55 5.71 0.32 1.36 -1.08 0.13 -4.87 116.67 117.69 9pcy s ASP 42 Ca 0.22 0.65 0.22 0.00 -0.52 0.00 0.00 52.55 53.12 9pcy s ASP 42 Cb -0.16 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 39.88 9pcy s ASP 42 CO 0.11 -1.97 1.20 -1.84 0.52 0.00 0.00 175.17 173.19 9pcy n GLU 43 N 8.77 -0.03 -0.08 4.34 0.00 -1.26 -1.24 120.64 131.13 9pcy n GLU 43 Ca 0.19 0.99 -0.13 0.00 0.00 0.00 0.00 57.16 58.21 9pcy n GLU 43 Cb 0.50 -1.90 -0.08 0.00 0.00 0.00 0.00 31.44 29.95 9pcy n GLU 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 9pcy h ASP 44 N 0.00 0.00 -0.10 -1.84 3.32 -1.98 -3.40 116.42 112.42 9pcy h ASP 44 Ca 0.67 -0.49 -0.60 0.00 0.02 0.00 0.00 57.03 56.63 9pcy h ASP 44 Cb 2.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.59 9pcy h ASP 44 CO -0.43 1.07 3.04 -0.62 -1.72 0.00 0.00 179.24 180.57 9pcy n GLU 45 N -4.57 3.49 -3.68 3.56 -0.58 -0.37 -4.73 120.64 113.75 9pcy n GLU 45 Ca -0.16 -2.11 -0.10 0.00 -0.42 0.00 0.00 57.16 54.37 9pcy n GLU 45 Cb 0.45 -2.65 -0.05 0.00 -0.57 0.00 0.00 31.44 28.61 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 9pcy s ILE 46 N 1.68 0.08 -0.30 -3.67 -4.36 -1.21 -0.85 121.20 112.56 9pcy s ILE 46 Ca 0.68 -0.67 -0.34 0.00 -0.26 0.00 0.00 60.65 60.07 9pcy s ILE 46 Cb 0.21 -1.16 -0.10 0.00 1.25 0.00 0.00 42.46 42.66 9pcy s ILE 46 CO -0.06 -0.37 2.17 -2.65 0.24 0.00 0.00 174.94 174.28 9pcy n PRO 47 N -0.08 1.34 -1.47 0.37 -0.02 -1.26 -4.81 135.00 129.07 9pcy n PRO 47 Ca -0.16 0.38 -0.48 0.00 -2.02 0.00 0.00 63.50 61.22 9pcy n PRO 47 Cb 0.63 -2.64 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 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 9.97 1.05 0.00 3.55 0.00 -1.26 -0.99 120.51 132.83 9pcy n ALA 48 Ca 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.63 9pcy n ALA 48 Cb 0.28 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.10 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 6.44 1.18 3.65 0.00 0.00 -1.26 -5.10 105.19 110.09 9pcy n GLY 49 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.33 4.18 -0.45 1.61 1.01 -0.16 -4.93 120.40 121.33 9pcy s VAL 50 Ca 0.00 1.39 -0.27 0.00 0.00 0.00 0.00 61.98 63.10 9pcy s VAL 50 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 9pcy s VAL 50 CO 0.00 -0.27 2.19 -0.62 0.00 0.00 0.00 175.10 176.40 9pcy s ASP 51 N 2.44 4.95 0.32 3.32 2.15 -1.26 -4.84 116.67 123.74 9pcy s ASP 51 Ca 0.57 1.08 0.09 0.00 0.43 0.00 0.00 52.55 54.72 9pcy s ASP 51 Cb -0.20 -2.51 0.89 0.00 -0.30 0.00 0.00 42.92 40.80 9pcy s ASP 51 CO 0.19 -2.49 1.71 0.00 -0.17 0.00 0.00 175.17 174.41 9pcy h ALA 52 N 17.08 1.76 -0.09 3.66 0.00 -1.92 0.98 119.26 140.73 9pcy h ALA 52 Ca -0.28 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 9pcy h ALA 52 Cb 1.23 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 9pcy h ALA 52 CO 1.12 -0.34 0.07 0.28 0.00 0.00 0.00 179.25 180.39 9pcy h VAL 53 N 0.50 0.82 -0.00 0.00 2.07 -1.88 0.25 116.25 118.00 9pcy h VAL 53 Ca 0.65 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.98 9pcy h VAL 53 Cb 1.28 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 9pcy h VAL 53 CO -0.51 0.00 -0.83 0.07 0.02 0.00 0.00 177.57 176.32 9pcy h LYS 54 N 0.00 0.14 0.02 1.57 2.10 -1.19 -3.31 116.57 115.90 9pcy h LYS 54 Ca 0.04 -0.15 -0.31 0.00 -2.00 0.00 0.00 60.65 58.23 9pcy h LYS 54 Cb 0.19 0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.51 9pcy h LYS 54 CO -0.00 0.89 -1.86 0.44 -2.00 0.00 0.00 179.45 176.93 9pcy n ILE 55 N -3.66 1.60 -3.20 0.07 -5.35 -0.83 -4.96 119.36 103.03 9pcy n ILE 55 Ca -0.03 -0.78 -0.37 0.00 -0.27 0.00 0.00 62.75 61.30 9pcy n ILE 55 Cb 0.78 -1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 37.57 9pcy n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 9pcy s SER 56 N -6.13 7.03 0.37 7.28 0.01 0.80 -4.84 113.70 118.22 9pcy s SER 56 Ca -0.08 1.31 -0.25 0.00 1.31 0.00 0.00 55.95 58.23 9pcy s SER 56 Cb 0.08 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.84 9pcy s SER 56 CO 0.81 0.14 1.05 -0.04 0.41 0.00 0.00 173.24 175.61 9pcy s MET 57 N -1.65 4.29 0.06 12.44 -1.94 0.12 -4.77 119.30 127.84 9pcy s MET 57 Ca 0.37 1.57 -0.30 0.00 -1.71 0.00 0.00 55.69 55.61 9pcy s MET 57 Cb -0.18 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 33.88 9pcy s MET 57 CO 0.20 -0.04 1.87 -1.25 -0.01 0.00 0.00 175.02 175.79 9pcy s PRO 58 N -2.24 4.15 0.32 2.03 0.04 -1.26 -4.66 135.00 133.38 9pcy s PRO 58 Ca 0.54 2.55 0.23 0.00 0.04 0.00 0.00 61.00 64.37 9pcy s PRO 58 Cb -0.24 -3.91 1.09 0.00 0.04 0.00 0.00 34.50 31.48 9pcy s PRO 58 CO 0.30 -0.89 1.15 0.39 0.04 0.00 0.00 177.00 177.99 9pcy n GLU 59 N 6.73 -0.03 0.09 4.56 4.71 -1.26 -0.11 120.64 135.33 9pcy n GLU 59 Ca 0.19 0.93 -0.05 0.00 -0.01 0.00 0.00 57.16 58.21 9pcy n GLU 59 Cb 0.40 -1.82 -0.02 0.00 -1.01 0.00 0.00 31.44 28.99 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 0.01 -6.90 3.49 3.07 -2.03 -3.45 114.58 108.77 9pcy h GLU 60 Ca 0.65 -0.01 -0.47 0.00 -0.50 0.00 0.00 59.36 59.03 9pcy h GLU 60 Cb 2.05 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.94 9pcy h GLU 60 CO -0.36 0.87 0.25 -1.21 -1.40 0.00 0.00 179.01 177.16 9pcy s GLU 61 N -3.02 4.23 -0.04 2.33 0.41 0.84 -5.07 118.70 118.38 9pcy s GLU 61 Ca 0.00 1.01 -0.29 0.00 -0.41 0.00 0.00 54.97 55.27 9pcy s GLU 61 Cb 0.11 -2.41 0.09 0.00 -1.78 0.00 0.00 34.13 30.14 9pcy s GLU 61 CO 0.80 0.11 0.76 -0.48 -0.49 0.00 0.00 175.26 175.96 9pcy s LEU 62 N -2.84 -0.55 -0.07 1.80 0.05 -1.26 -4.74 118.68 111.06 9pcy s LEU 62 Ca 0.56 0.47 -0.28 0.00 0.05 0.00 0.00 54.13 54.94 9pcy s LEU 62 Cb -0.12 2.34 -0.02 0.00 -2.05 0.00 0.00 46.19 46.34 9pcy s LEU 62 CO 0.17 -0.60 0.90 -0.76 -0.55 0.00 0.00 176.35 175.50 9pcy s LEU 63 N -1.52 4.29 -0.02 1.48 1.43 0.13 -4.86 118.68 119.61 9pcy s LEU 63 Ca -0.06 1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 9pcy s LEU 63 Cb -0.00 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 9pcy s LEU 63 CO 0.03 -0.30 -0.03 -3.20 0.23 0.00 0.00 176.35 173.08 9pcy n ASN 64 N 4.40 0.94 -4.75 2.29 5.15 -1.26 -0.94 115.26 121.09 9pcy n ASN 64 Ca 0.05 0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 9pcy n ASN 64 Cb 0.50 -0.07 -0.02 0.00 -0.53 0.00 0.00 39.78 39.66 9pcy n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 9pcy s ALA 65 N -2.05 3.55 0.47 5.20 0.00 -1.26 -4.83 121.76 122.85 9pcy s ALA 65 Ca -0.03 1.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.94 9pcy s ALA 65 Cb 0.01 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 9pcy s ALA 65 CO 0.05 -0.65 1.29 -1.25 0.00 0.00 0.00 175.76 175.20 9pcy s PRO 66 N -0.89 3.59 0.00 0.00 0.04 -1.26 -3.30 135.00 133.19 9pcy s PRO 66 Ca 0.54 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.68 9pcy s PRO 66 Cb -0.40 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.67 9pcy s PRO 66 CO 0.46 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 177.13 9pcy n GLY 67 N 0.62 2.90 3.64 0.56 0.00 0.30 -4.99 105.19 108.23 9pcy n GLY 67 Ca 0.07 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 1.78 -4.29 1.61 -0.58 -1.21 -4.39 120.64 113.56 9pcy n GLU 68 Ca 0.00 0.63 -0.34 0.00 -0.42 0.00 0.00 57.16 57.04 9pcy n GLU 68 Cb 0.00 -2.22 -0.15 0.00 -0.57 0.00 0.00 31.44 28.50 9pcy n GLU 68 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 9pcy s THR 69 N -0.28 3.00 -0.45 2.62 -4.23 -1.26 -0.53 115.64 114.51 9pcy s THR 69 Ca 0.67 -0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 60.35 9pcy s THR 69 Cb -0.69 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 70.87 9pcy s THR 69 CO 0.52 0.48 0.54 -0.47 -0.54 0.00 0.00 174.62 175.16 9pcy s TYR 70 N 1.00 3.11 -0.08 3.99 5.04 0.25 -4.89 117.35 125.77 9pcy s TYR 70 Ca -0.01 -0.32 -0.12 0.00 -2.44 0.00 0.00 57.07 54.18 9pcy s TYR 70 Cb -0.15 -3.19 -0.05 0.00 0.35 0.00 0.00 41.96 38.93 9pcy s TYR 70 CO -0.01 -0.83 0.29 0.08 -1.34 0.00 0.00 175.55 173.73 9pcy s VAL 71 N 2.45 5.26 0.21 3.14 1.01 -1.26 -0.62 120.40 130.59 9pcy s VAL 71 Ca 0.16 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 9pcy s VAL 71 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 9pcy s VAL 71 CO 0.15 0.56 0.33 0.54 0.00 0.00 0.00 175.10 176.67 9pcy s VAL 72 N -0.75 0.02 -0.13 2.92 0.11 -0.13 -5.01 120.40 117.43 9pcy s VAL 72 Ca 0.19 -1.55 -0.10 0.00 -2.93 0.00 0.00 61.98 57.59 9pcy s VAL 72 Cb -0.14 -2.16 0.04 0.00 -1.53 0.00 0.00 36.38 32.58 9pcy s VAL 72 CO 0.08 -0.09 0.34 -0.89 -3.33 0.00 0.00 175.10 171.21 9pcy s THR 73 N -4.04 -0.01 -0.25 5.04 2.01 -1.26 -0.39 115.64 116.74 9pcy s THR 73 Ca 0.25 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.30 9pcy s THR 73 Cb 0.02 -0.49 0.04 0.00 0.01 0.00 0.00 72.50 72.09 9pcy s THR 73 CO 0.07 0.02 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.15 9pcy s LEU 74 N 0.56 3.20 -0.12 4.42 1.43 -1.24 -4.99 118.68 121.94 9pcy s LEU 74 Ca -0.03 -1.15 -0.13 0.00 -1.03 0.00 0.00 54.13 51.80 9pcy s LEU 74 Cb -0.05 -1.58 -0.26 0.00 0.03 0.00 0.00 46.19 44.34 9pcy s LEU 74 CO -0.03 -0.15 0.44 -0.78 0.23 0.00 0.00 176.35 176.06 9pcy h ASP 75 N 7.87 0.36 -3.03 2.29 3.58 -1.90 0.55 116.42 126.14 9pcy h ASP 75 Ca -0.27 -0.85 -0.54 0.00 0.42 0.00 0.00 57.03 55.79 9pcy h ASP 75 Cb 1.07 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 42.01 9pcy h ASP 75 CO 0.52 1.72 0.71 0.42 -2.88 0.00 0.00 179.24 179.73 9pcy s THR 76 N -2.50 3.72 0.82 2.25 -4.23 -1.26 -4.26 115.64 110.18 9pcy s THR 76 Ca -0.22 1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 61.37 9pcy s THR 76 Cb 0.06 -3.76 0.09 0.00 1.34 0.00 0.00 72.50 70.22 9pcy s THR 76 CO 0.75 0.05 1.11 -0.54 -0.54 0.00 0.00 174.62 175.45 9pcy s LYS 77 N 1.62 1.83 0.00 3.99 1.02 -1.26 -4.81 119.74 122.12 9pcy s LYS 77 Ca 0.62 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.89 9pcy s LYS 77 Cb -0.32 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 9pcy s LYS 77 CO 0.28 -1.98 0.00 0.41 -0.92 0.00 0.00 175.35 173.14 9pcy n GLY 78 N -0.76 1.46 3.52 -3.33 0.00 -0.07 -4.76 105.19 101.25 9pcy n GLY 78 Ca 0.10 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.26 5.05 -0.36 2.61 2.01 -1.26 -0.15 115.64 122.28 9pcy s THR 79 Ca 0.00 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 9pcy s THR 79 Cb 0.00 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.53 9pcy s THR 79 CO 0.00 -0.32 0.20 -0.31 -0.69 0.00 0.00 174.62 173.50 9pcy s TYR 80 N 2.28 3.23 0.10 4.92 1.51 0.23 -4.05 117.35 125.56 9pcy s TYR 80 Ca 0.15 -0.82 -0.23 0.00 -1.01 0.00 0.00 57.07 55.16 9pcy s TYR 80 Cb -0.16 -2.43 -0.07 0.00 -0.11 0.00 0.00 41.96 39.19 9pcy s TYR 80 CO 0.14 -0.59 0.70 -1.12 -1.11 0.00 0.00 175.55 173.57 9pcy s SER 81 N 1.58 7.22 0.17 2.29 0.01 -0.03 -0.71 113.70 124.23 9pcy s SER 81 Ca 0.03 1.45 0.01 0.00 1.31 0.00 0.00 55.95 58.75 9pcy s SER 81 Cb -0.19 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 9pcy s SER 81 CO 0.07 0.18 0.01 0.72 0.41 0.00 0.00 173.24 174.63 9pcy s PHE 82 N -0.82 1.15 0.19 2.43 -0.12 0.22 -0.69 117.98 120.33 9pcy s PHE 82 Ca 0.34 -1.06 -0.17 0.00 -0.05 0.00 0.00 56.93 55.98 9pcy s PHE 82 Cb -0.21 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.55 9pcy s PHE 82 CO 0.23 -0.27 0.51 1.52 -0.05 0.00 0.00 175.22 177.15 9pcy s TYR 83 N -3.73 -0.11 -0.41 3.49 1.13 0.58 -0.57 117.35 117.73 9pcy s TYR 83 Ca 0.24 -0.22 -0.11 0.00 -1.41 0.00 0.00 57.07 55.57 9pcy s TYR 83 Cb 0.06 0.37 0.06 0.00 -1.10 0.00 0.00 41.96 41.35 9pcy s TYR 83 CO 0.04 -0.89 0.25 0.00 -2.51 0.00 0.00 175.55 172.44 9pcy h SER 85 N 8.46 -1.95 0.05 0.00 4.64 -1.87 0.13 113.55 123.01 9pcy h SER 85 Ca -0.24 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 9pcy h SER 85 Cb 1.09 0.83 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 9pcy h SER 85 CO 0.74 -0.32 0.00 -0.81 -0.87 0.00 0.00 176.83 175.56 9pcy n PRO 86 N -5.26 0.02 -0.21 4.77 -0.04 -1.26 -1.80 135.00 131.21 9pcy n PRO 86 Ca -0.01 0.35 0.03 0.00 -0.04 0.00 0.00 63.50 63.83 9pcy n PRO 86 Cb 0.30 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.30 9pcy n PRO 86 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 9pcy n HIS 87 N -1.38 0.00 0.02 0.54 8.25 0.08 -4.83 115.22 117.90 9pcy n HIS 87 Ca 0.01 -0.36 -0.12 0.00 -0.26 0.00 0.00 57.72 56.99 9pcy n HIS 87 Cb 0.02 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 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 0.00 0.06 -0.47 -0.41 4.15 -0.05 -0.04 115.11 118.35 9pcy h GLN 88 Ca 0.00 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.51 9pcy h GLN 88 Cb 1.09 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 9pcy h GLN 88 CO 0.00 0.05 0.32 0.78 -1.93 0.00 0.00 178.83 178.05 9pcy h GLY 89 N 0.05 0.33 0.40 2.39 0.00 -1.87 0.74 103.07 105.11 9pcy h GLY 89 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.25 9pcy h GLY 89 CO -0.00 0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.60 9pcy n ALA 90 N -2.55 2.60 -0.90 3.60 0.00 -0.68 -4.89 120.51 117.68 9pcy n ALA 90 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.33 9pcy n ALA 90 Cb 0.37 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.46 3.58 0.00 0.00 0.25 -4.96 105.19 105.38 9pcy n GLY 91 Ca 0.15 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 9pcy n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 9pcy s MET 92 N -1.44 3.78 0.34 1.61 -2.45 -0.12 -4.87 119.30 116.16 9pcy s MET 92 Ca 0.00 -1.88 0.04 0.00 -1.25 0.00 0.00 55.69 52.59 9pcy s MET 92 Cb 0.00 -5.50 -0.06 0.00 1.25 0.00 0.00 34.83 30.52 9pcy s MET 92 CO 0.00 -2.50 0.06 0.14 1.05 0.00 0.00 175.02 173.77 9pcy s VAL 93 N 5.18 1.22 0.19 10.11 -7.23 -1.26 -1.29 120.40 127.32 9pcy s VAL 93 Ca 0.56 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.50 9pcy s VAL 93 Cb 0.03 -2.78 0.07 0.00 0.56 0.00 0.00 36.38 34.26 9pcy s VAL 93 CO 0.09 0.00 0.98 -0.83 -0.31 0.00 0.00 175.10 175.03 9pcy s GLY 94 N -3.52 -0.00 -0.12 2.32 0.00 0.26 -4.61 107.32 101.64 9pcy s GLY 94 Ca 0.35 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.83 9pcy s GLY 94 CO 0.15 1.10 0.27 0.54 0.00 0.00 0.00 173.10 175.17 9pcy s LYS 95 N -2.66 0.21 -0.18 2.90 1.02 0.21 -0.61 119.74 120.63 9pcy s LYS 95 Ca 0.17 0.64 -0.02 0.00 0.02 0.00 0.00 55.97 56.78 9pcy s LYS 95 Cb -0.02 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 9pcy s LYS 95 CO 0.05 -0.21 -0.09 0.54 -0.92 0.00 0.00 175.35 174.72 9pcy s VAL 96 N 1.70 3.19 -0.53 3.17 0.11 0.11 -0.96 120.40 127.20 9pcy s VAL 96 Ca -0.06 -0.58 -0.19 0.00 -2.93 0.00 0.00 61.98 58.22 9pcy s VAL 96 Cb -0.11 -2.40 0.07 0.00 -1.53 0.00 0.00 36.38 32.41 9pcy s VAL 96 CO -0.09 0.48 0.65 -0.89 -3.33 0.00 0.00 175.10 171.92 9pcy s THR 97 N 0.92 4.85 -0.76 5.04 2.01 0.41 -0.60 115.64 127.51 9pcy s THR 97 Ca -0.02 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 9pcy s THR 97 Cb -0.15 -4.35 0.04 0.00 0.01 0.00 0.00 72.50 68.06 9pcy s THR 97 CO -0.00 -0.89 1.23 -0.69 -0.69 0.00 0.00 174.62 173.58 9pcy s VAL 98 N 2.68 3.89 -2.84 3.82 1.01 0.79 -0.88 120.40 128.87 9pcy s VAL 98 Ca 0.15 0.07 0.25 0.00 0.00 0.00 0.00 61.98 62.45 9pcy s VAL 98 Cb -0.20 -4.88 0.31 0.00 0.00 0.00 0.00 36.38 31.60 9pcy s VAL 98 CO 0.11 -1.78 1.42 -3.20 0.00 0.00 0.00 175.10 171.65