#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 3.16 -0.10 3.23 2.56 -1.26 -0.47 118.70 125.82 9pcy s GLU 2 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 54.97 54.24 9pcy s GLU 2 Cb 0.00 -2.96 -0.01 0.00 2.00 0.00 0.00 34.13 33.17 9pcy s GLU 2 CO 0.00 -0.27 -0.21 0.08 -0.56 0.00 0.00 175.26 174.31 9pcy s VAL 3 N 1.41 2.37 -0.19 3.70 1.01 0.28 -4.65 120.40 124.33 9pcy s VAL 3 Ca 0.04 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 9pcy s VAL 3 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 9pcy s VAL 3 CO -0.05 0.55 0.38 -0.76 0.00 0.00 0.00 175.10 175.23 9pcy s LEU 4 N 0.25 4.17 -0.67 3.92 1.43 0.34 -0.34 118.68 127.78 9pcy s LEU 4 Ca -0.14 0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 53.27 9pcy s LEU 4 Cb -0.17 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.64 9pcy s LEU 4 CO 0.07 -0.05 0.91 -0.76 0.23 0.00 0.00 176.35 176.76 9pcy s LEU 5 N 1.15 4.74 0.00 1.79 1.43 0.34 -0.94 118.68 127.19 9pcy s LEU 5 Ca 0.19 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 9pcy s LEU 5 Cb -0.14 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.69 9pcy s LEU 5 CO 0.07 -1.31 0.00 0.61 0.23 0.00 0.00 176.35 175.95 9pcy n GLY 6 N 5.32 -0.62 3.36 -3.19 0.00 0.67 -1.18 105.19 109.56 9pcy n GLY 6 Ca -0.03 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.00 -0.37 0.31 1.61 1.04 -1.12 -4.41 113.70 106.75 9pcy s SER 7 Ca 0.00 -0.09 0.08 0.00 0.48 0.00 0.00 55.95 56.42 9pcy s SER 7 Cb 0.00 0.51 0.83 0.00 0.10 0.00 0.00 66.02 67.46 9pcy s SER 7 CO 0.00 -0.84 1.75 1.23 0.98 0.00 0.00 173.24 176.36 9pcy h GLY 8 N 2.42 1.87 -0.14 7.32 0.00 -1.94 0.27 103.07 112.86 9pcy h GLY 8 Ca -0.33 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.67 9pcy h GLY 8 CO 0.43 -0.17 0.00 2.09 0.00 0.00 0.00 176.54 178.89 9pcy n ASP 9 N -4.84 0.13 -0.32 0.19 5.75 -1.26 -4.87 116.55 111.33 9pcy n ASP 9 Ca 0.26 -1.92 -0.04 0.00 -0.01 0.00 0.00 54.79 53.07 9pcy n ASP 9 Cb 0.68 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.40 0.63 3.73 6.12 0.00 0.94 -4.99 105.19 112.02 9pcy n GLY 10 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.36 7.36 -1.01 1.61 0.15 -1.26 -4.49 113.70 113.71 9pcy s SER 11 Ca 0.00 1.96 -0.17 0.00 0.70 0.00 0.00 55.95 58.45 9pcy s SER 11 Cb 0.00 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 9pcy s SER 11 CO 0.00 -0.16 2.09 0.18 1.20 0.00 0.00 173.24 176.55 9pcy n LEU 12 N 2.57 5.18 -4.22 3.45 7.99 -1.26 -2.80 117.00 127.91 9pcy n LEU 12 Ca 0.03 -3.29 -0.18 0.00 -0.01 0.00 0.00 56.01 52.55 9pcy n LEU 12 Cb 0.47 -1.27 -0.11 0.00 -0.11 0.00 0.00 43.42 42.40 9pcy n LEU 12 CO 0.53 0.29 -0.45 0.68 -1.51 0.00 0.00 177.39 176.93 9pcy s VAL 13 N 4.15 1.26 -0.11 4.08 -7.23 -1.26 -4.24 120.40 117.05 9pcy s VAL 13 Ca 0.53 -1.59 -0.16 0.00 -1.81 0.00 0.00 61.98 58.94 9pcy s VAL 13 Cb 0.14 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 9pcy s VAL 13 CO 0.03 -0.35 0.41 -0.36 -0.31 0.00 0.00 175.10 174.52 9pcy s PHE 14 N -1.87 3.53 -0.24 2.82 0.40 -1.26 -0.23 117.98 121.12 9pcy s PHE 14 Ca 0.05 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 9pcy s PHE 14 Cb -0.06 -2.45 0.06 0.00 0.51 0.00 0.00 43.02 41.07 9pcy s PHE 14 CO 0.03 0.26 -0.06 0.08 0.70 0.00 0.00 175.22 176.23 9pcy s VAL 15 N 0.34 1.60 0.53 -0.44 1.01 -0.11 -1.38 120.40 121.96 9pcy s VAL 15 Ca 0.23 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 9pcy s VAL 15 Cb -0.15 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 9pcy s VAL 15 CO 0.09 -0.11 1.09 -2.16 0.00 0.00 0.00 175.10 174.00 9pcy s PRO 16 N 1.36 3.48 -0.08 2.72 0.04 -1.26 -0.51 135.00 140.75 9pcy s PRO 16 Ca -0.06 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 9pcy s PRO 16 Cb -0.19 -2.04 -0.25 0.00 0.04 0.00 0.00 34.50 32.06 9pcy s PRO 16 CO -0.06 -0.72 0.95 0.77 0.04 0.00 0.00 177.00 177.98 9pcy h SER 17 N 1.18 0.17 -3.82 6.66 0.02 -1.58 -3.45 113.55 112.73 9pcy h SER 17 Ca -0.49 -0.85 -0.59 0.00 -0.84 0.00 0.00 61.79 59.02 9pcy h SER 17 Cb 1.24 -0.05 -0.32 0.00 0.14 0.00 0.00 62.40 63.41 9pcy h SER 17 CO 0.57 1.00 -0.85 -1.61 -1.14 0.00 0.00 176.83 174.81 9pcy s GLU 18 N -2.84 2.02 0.27 3.45 2.02 -1.26 -0.58 118.70 121.78 9pcy s GLU 18 Ca -0.16 -0.66 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 9pcy s GLU 18 Cb -0.00 -1.71 0.04 0.00 0.10 0.00 0.00 34.13 32.55 9pcy s GLU 18 CO 0.73 0.24 0.52 1.97 0.02 0.00 0.00 175.26 178.75 9pcy n PHE 19 N 3.21 -1.86 -4.11 1.61 -1.74 -1.02 -4.96 117.46 108.59 9pcy n PHE 19 Ca -0.19 -1.33 -0.15 0.00 -0.56 0.00 0.00 57.45 55.22 9pcy n PHE 19 Cb 0.53 0.61 -0.12 0.00 1.52 0.00 0.00 39.48 42.02 9pcy n PHE 19 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 9pcy s SER 20 N -2.44 1.17 -0.07 5.98 0.01 -1.26 -0.53 113.70 116.56 9pcy s SER 20 Ca 0.12 -0.57 -0.06 0.00 1.31 0.00 0.00 55.95 56.76 9pcy s SER 20 Cb -0.03 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.22 9pcy s SER 20 CO 0.09 -0.15 0.18 0.54 0.41 0.00 0.00 173.24 174.31 9pcy s VAL 21 N -1.31 -0.00 0.36 3.43 0.11 -0.02 -4.86 120.40 118.09 9pcy s VAL 21 Ca -0.07 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.72 9pcy s VAL 21 Cb -0.10 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.39 9pcy s VAL 21 CO 0.01 0.01 1.34 -2.84 -3.33 0.00 0.00 175.10 170.29 9pcy s PRO 22 N 0.21 4.22 -0.10 1.54 0.02 -1.26 -0.66 135.00 138.98 9pcy s PRO 22 Ca -0.01 2.28 -0.36 0.00 0.02 0.00 0.00 61.00 62.93 9pcy s PRO 22 Cb -0.02 -2.99 -0.14 0.00 0.02 0.00 0.00 34.50 31.38 9pcy s PRO 22 CO -0.01 -0.32 1.75 0.43 -0.33 0.00 0.00 177.00 178.52 9pcy n SER 23 N 0.59 2.93 0.00 2.53 7.64 0.79 -1.43 113.62 126.66 9pcy n SER 23 Ca 0.01 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.92 9pcy n SER 23 Cb 0.42 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 4.04 3.06 3.77 0.23 0.00 0.09 -4.95 105.19 111.44 9pcy n GLY 24 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.87 4.24 0.30 1.61 8.01 -0.52 -4.74 118.70 126.73 9pcy s GLU 25 Ca 0.00 1.71 -0.25 0.00 0.01 0.00 0.00 54.97 56.44 9pcy s GLU 25 Cb 0.00 -2.75 -0.10 0.00 -4.31 0.00 0.00 34.13 26.97 9pcy s GLU 25 CO 0.00 -0.12 0.90 -1.59 0.01 0.00 0.00 175.26 174.46 9pcy s LYS 26 N -2.16 4.53 -0.13 1.61 -2.85 -1.26 -3.84 119.74 115.63 9pcy s LYS 26 Ca 0.54 1.24 -0.01 0.00 -1.00 0.00 0.00 55.97 56.75 9pcy s LYS 26 Cb -0.28 -2.84 -0.02 0.00 -2.06 0.00 0.00 37.83 32.64 9pcy s LYS 26 CO 0.35 0.31 -0.11 0.42 0.10 0.00 0.00 175.35 176.42 9pcy s ILE 27 N -1.58 3.20 -0.37 3.79 1.01 0.45 -0.64 121.20 127.06 9pcy s ILE 27 Ca 0.48 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 9pcy s ILE 27 Cb -0.18 -2.35 0.09 0.00 0.01 0.00 0.00 42.46 40.03 9pcy s ILE 27 CO 0.23 0.52 0.13 -0.69 0.00 0.00 0.00 174.94 175.14 9pcy s VAL 28 N 0.29 3.11 -0.67 2.92 1.01 0.38 -1.05 120.40 126.39 9pcy s VAL 28 Ca -0.09 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 59.78 9pcy s VAL 28 Cb -0.15 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.26 9pcy s VAL 28 CO 0.05 -0.53 0.89 -0.36 0.00 0.00 0.00 175.10 175.15 9pcy s PHE 29 N 1.14 2.87 -0.08 5.22 0.08 0.11 -0.56 117.98 126.76 9pcy s PHE 29 Ca 0.05 -0.84 -0.18 0.00 0.12 0.00 0.00 56.93 56.08 9pcy s PHE 29 Cb -0.22 -4.18 -0.05 0.00 -0.57 0.00 0.00 43.02 38.01 9pcy s PHE 29 CO -0.04 -1.49 0.48 0.21 -0.10 0.00 0.00 175.22 174.28 9pcy s LYS 30 N 3.31 4.27 -0.29 0.44 2.20 0.54 -0.58 119.74 129.62 9pcy s LYS 30 Ca 0.19 0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 56.00 9pcy s LYS 30 Cb -0.18 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 9pcy s LYS 30 CO 0.06 0.28 1.89 1.21 -0.36 0.00 0.00 175.35 178.42 9pcy s ASN 31 N 0.22 5.82 0.00 1.43 2.47 0.26 -0.51 114.94 124.63 9pcy s ASN 31 Ca 0.26 1.47 0.00 0.00 0.42 0.00 0.00 52.86 55.01 9pcy s ASN 31 Cb -0.16 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 9pcy s ASN 31 CO 0.12 -1.74 0.00 -3.20 -3.72 0.00 0.00 177.10 168.56 9pcy n ASN 32 N 10.48 0.00 -3.38 -4.21 2.85 -0.32 -0.69 115.26 119.99 9pcy n ASN 32 Ca 0.24 0.22 -0.06 0.00 -0.11 0.00 0.00 54.58 54.88 9pcy n ASN 32 Cb 0.46 -0.35 0.01 0.00 1.24 0.00 0.00 39.78 41.14 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 -3.41 -1.23 -1.50 5.20 0.00 -1.19 -4.69 121.76 114.94 9pcy s ALA 33 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 9pcy s ALA 33 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 9pcy s ALA 33 CO 0.00 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.14 9pcy n GLY 34 N -0.55 0.81 3.78 0.00 0.00 -1.26 -4.15 105.19 103.82 9pcy n GLY 34 Ca -0.06 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.65 2.55 0.74 1.61 -0.12 -1.26 -4.79 117.98 114.05 9pcy s PHE 35 Ca 0.00 0.91 -0.12 0.00 -0.05 0.00 0.00 56.93 57.67 9pcy s PHE 35 Cb 0.00 -3.34 0.04 0.00 -0.63 0.00 0.00 43.02 39.09 9pcy s PHE 35 CO 0.00 -2.29 1.10 -1.25 -0.05 0.00 0.00 175.22 172.73 9pcy s PRO 36 N -5.24 2.41 0.28 1.99 0.04 -1.26 -5.12 135.00 128.09 9pcy s PRO 36 Ca 0.63 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 9pcy s PRO 36 Cb -0.15 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 9pcy s PRO 36 CO 0.54 -1.54 0.45 -1.01 0.04 0.00 0.00 177.00 175.48 9pcy s HIS 37 N -2.70 0.66 0.11 0.56 3.76 -1.19 -4.86 115.29 111.63 9pcy s HIS 37 Ca 0.63 -0.98 -0.26 0.00 -0.15 0.00 0.00 55.06 54.31 9pcy s HIS 37 Cb -0.18 0.04 0.08 0.00 1.11 0.00 0.00 32.58 33.63 9pcy s HIS 37 CO 0.51 -1.02 1.08 0.54 -0.85 0.00 0.00 174.74 175.00 9pcy s ASN 38 N -3.10 -0.09 -0.21 1.40 2.20 -1.26 -0.17 114.94 113.71 9pcy s ASN 38 Ca 0.27 -0.41 -0.01 0.00 -0.94 0.00 0.00 52.86 51.77 9pcy s ASN 38 Cb 0.00 0.40 0.06 0.00 -2.00 0.00 0.00 41.25 39.71 9pcy s ASN 38 CO 0.13 -0.75 -0.01 -0.69 -2.94 0.00 0.00 177.10 172.84 9pcy s VAL 39 N -2.69 1.02 -0.14 3.54 1.01 -1.26 -4.14 120.40 117.73 9pcy s VAL 39 Ca 0.16 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 9pcy s VAL 39 Cb -0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 9pcy s VAL 39 CO 0.02 -0.13 -0.11 -0.69 0.00 0.00 0.00 175.10 174.19 9pcy s VAL 40 N 1.63 3.22 -0.06 2.92 1.01 0.33 -0.55 120.40 128.91 9pcy s VAL 40 Ca -0.03 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 9pcy s VAL 40 Cb -0.18 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 9pcy s VAL 40 CO -0.07 0.51 0.51 -0.36 0.00 0.00 0.00 175.10 175.69 9pcy s PHE 41 N 0.44 3.60 -0.32 5.22 0.08 -1.26 -0.30 117.98 125.45 9pcy s PHE 41 Ca -0.08 1.01 -0.28 0.00 0.12 0.00 0.00 56.93 57.69 9pcy s PHE 41 Cb -0.15 -2.53 -0.02 0.00 -0.57 0.00 0.00 43.02 39.75 9pcy s PHE 41 CO 0.04 0.30 1.75 0.34 -0.10 0.00 0.00 175.22 177.55 9pcy s ASP 42 N 0.10 5.99 0.46 1.36 -1.08 0.04 -4.87 116.67 118.66 9pcy s ASP 42 Ca 0.27 1.32 0.33 0.00 -0.52 0.00 0.00 52.55 53.96 9pcy s ASP 42 Cb -0.16 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.25 9pcy s ASP 42 CO 0.13 -1.63 1.62 1.05 0.52 0.00 0.00 175.17 176.86 9pcy h GLU 43 N 12.43 0.06 0.00 4.34 4.11 -1.95 -1.75 114.58 131.82 9pcy h GLU 43 Ca -0.33 -0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.97 9pcy h GLU 43 Cb 1.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 9pcy h GLU 43 CO 1.03 0.04 -0.66 0.22 0.07 0.00 0.00 179.01 179.71 9pcy h ASP 44 N 0.06 0.00 0.00 3.06 3.58 -1.97 -3.40 116.42 117.75 9pcy h ASP 44 Ca 0.84 -0.74 -0.50 0.00 0.42 0.00 0.00 57.03 57.05 9pcy h ASP 44 Cb 2.76 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.81 9pcy h ASP 44 CO -0.36 1.26 2.38 -0.62 -2.88 0.00 0.00 179.24 179.02 9pcy n GLU 45 N -4.52 3.07 -3.65 0.28 1.02 -0.66 -4.76 120.64 111.43 9pcy n GLU 45 Ca -0.22 -1.76 -0.12 0.00 -0.02 0.00 0.00 57.16 55.04 9pcy n GLU 45 Cb 0.59 -2.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.43 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 1.81 0.06 -0.33 -3.67 -4.36 -1.24 -0.78 121.20 112.70 9pcy s ILE 46 Ca 0.68 -0.50 -0.33 0.00 -0.26 0.00 0.00 60.65 60.24 9pcy s ILE 46 Cb 0.22 -1.03 -0.10 0.00 1.25 0.00 0.00 42.46 42.81 9pcy s ILE 46 CO -0.04 -0.28 2.22 -2.65 0.24 0.00 0.00 174.94 174.43 9pcy n PRO 47 N 0.25 1.30 -1.49 0.37 -0.02 -1.26 -4.81 135.00 129.34 9pcy n PRO 47 Ca -0.18 0.34 -0.45 0.00 -2.02 0.00 0.00 63.50 61.19 9pcy n PRO 47 Cb 0.61 -2.70 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 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 10.60 0.98 0.00 3.55 0.00 -1.26 -1.29 120.51 133.08 9pcy n ALA 48 Ca 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.52 9pcy n ALA 48 Cb 0.30 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 6.36 3.12 3.59 0.00 0.00 -1.26 -5.09 105.19 111.91 9pcy n GLY 49 Ca 0.43 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 3.95 -0.26 1.61 1.01 -0.42 -4.94 120.40 121.36 9pcy s VAL 50 Ca 0.00 0.92 -0.28 0.00 0.00 0.00 0.00 61.98 62.61 9pcy s VAL 50 Cb 0.00 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 9pcy s VAL 50 CO 0.00 -1.00 2.24 -0.67 0.00 0.00 0.00 175.10 175.67 9pcy n ASP 51 N 8.78 3.07 -0.34 3.32 2.03 -1.26 -4.84 116.55 127.30 9pcy n ASP 51 Ca 0.13 0.15 0.19 0.00 0.52 0.00 0.00 54.79 55.78 9pcy n ASP 51 Cb 0.49 -1.53 0.40 0.00 -0.72 0.00 0.00 41.12 39.75 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 15.30 1.78 -0.15 -1.67 0.00 -1.91 0.89 119.26 133.49 9pcy h ALA 52 Ca -0.38 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.72 9pcy h ALA 52 Cb 1.25 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 9pcy h ALA 52 CO 0.98 -0.36 0.12 0.28 0.00 0.00 0.00 179.25 180.26 9pcy h VAL 53 N 0.48 0.80 0.21 0.00 2.07 -1.88 0.25 116.25 118.19 9pcy h VAL 53 Ca 0.66 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.85 9pcy h VAL 53 Cb 1.33 0.92 0.02 0.00 -1.52 0.00 0.00 31.29 32.04 9pcy h VAL 53 CO -0.52 0.00 -1.52 0.11 0.02 0.00 0.00 177.57 175.66 9pcy h LYS 54 N 0.00 0.45 0.00 1.57 1.79 -1.20 -3.35 116.57 115.84 9pcy h LYS 54 Ca 0.07 -0.78 -0.19 0.00 -2.18 0.00 0.00 60.65 57.57 9pcy h LYS 54 Cb 0.30 0.29 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 9pcy h LYS 54 CO -0.00 1.37 -0.92 -0.84 -1.08 0.00 0.00 179.45 177.98 9pcy h ILE 55 N 0.06 1.64 -3.35 1.86 3.07 -1.39 -3.46 117.51 115.94 9pcy h ILE 55 Ca -0.28 -3.10 -0.55 0.00 1.55 0.00 0.00 64.86 62.48 9pcy h ILE 55 Cb 2.08 2.68 -0.04 0.00 -0.27 0.00 0.00 36.82 41.27 9pcy h ILE 55 CO 0.22 0.89 -0.10 -0.44 -1.05 0.00 0.00 178.15 177.66 9pcy s SER 56 N -6.76 6.74 0.01 2.16 0.01 0.84 -4.84 113.70 111.86 9pcy s SER 56 Ca 0.00 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.96 9pcy s SER 56 Cb 0.11 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 9pcy s SER 56 CO 0.81 0.04 1.20 -0.04 0.41 0.00 0.00 173.24 175.67 9pcy s MET 57 N -2.26 4.40 0.26 12.44 -1.94 0.29 -4.80 119.30 127.69 9pcy s MET 57 Ca 0.41 1.73 -0.31 0.00 -1.71 0.00 0.00 55.69 55.81 9pcy s MET 57 Cb -0.14 -3.44 -0.11 0.00 2.01 0.00 0.00 34.83 33.15 9pcy s MET 57 CO 0.20 -0.33 1.61 -1.25 -0.01 0.00 0.00 175.02 175.23 9pcy s PRO 58 N 1.54 4.15 0.45 2.03 0.04 -1.26 -4.54 135.00 137.40 9pcy s PRO 58 Ca 0.58 2.54 0.30 0.00 0.04 0.00 0.00 61.00 64.46 9pcy s PRO 58 Cb -0.27 -3.06 1.41 0.00 0.04 0.00 0.00 34.50 32.62 9pcy s PRO 58 CO 0.26 -0.64 1.65 0.93 0.04 0.00 0.00 177.00 179.25 9pcy h GLU 59 N 5.51 0.11 -0.88 4.56 5.08 -1.96 0.21 114.58 127.22 9pcy h GLU 59 Ca -0.46 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.00 9pcy h GLU 59 Cb 1.21 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 9pcy h GLU 59 CO 0.84 0.08 0.52 1.49 -1.00 0.00 0.00 179.01 180.94 9pcy h GLU 60 N 0.12 0.83 -6.59 2.33 4.81 -2.03 -3.42 114.58 110.63 9pcy h GLU 60 Ca 0.78 -0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 59.45 9pcy h GLU 60 Cb 2.49 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 31.66 9pcy h GLU 60 CO -0.34 0.55 0.12 -1.21 -0.73 0.00 0.00 179.01 177.40 9pcy s GLU 61 N -6.01 4.28 -0.02 1.92 0.41 0.74 -5.08 118.70 114.94 9pcy s GLU 61 Ca -0.12 0.90 -0.05 0.00 -0.41 0.00 0.00 54.97 55.29 9pcy s GLU 61 Cb 0.20 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 9pcy s GLU 61 CO 0.79 0.39 0.11 -0.51 -0.49 0.00 0.00 175.26 175.55 9pcy s LEU 62 N -1.96 1.63 -0.68 1.80 1.43 -1.26 -4.77 118.68 114.87 9pcy s LEU 62 Ca 0.43 -0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 53.27 9pcy s LEU 62 Cb -0.17 0.48 0.06 0.00 0.03 0.00 0.00 46.19 46.59 9pcy s LEU 62 CO 0.21 -0.21 1.04 -0.76 0.23 0.00 0.00 176.35 176.87 9pcy s LEU 63 N -0.71 4.11 -0.18 1.79 1.43 0.76 -4.89 118.68 121.00 9pcy s LEU 63 Ca -0.08 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 51.92 9pcy s LEU 63 Cb -0.05 -2.45 -0.19 0.00 0.03 0.00 0.00 46.19 43.53 9pcy s LEU 63 CO 0.01 -1.53 0.33 -0.55 0.23 0.00 0.00 176.35 174.83 9pcy h ASN 64 N 9.67 0.00 -3.87 2.29 -1.07 -1.98 -3.16 115.58 117.46 9pcy h ASN 64 Ca -0.28 -0.58 -0.48 0.00 0.07 0.00 0.00 56.30 55.03 9pcy h ASN 64 Cb 1.06 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.31 9pcy h ASN 64 CO 1.21 1.24 0.38 0.00 0.07 0.00 0.00 177.43 180.32 9pcy s ALA 65 N -2.36 3.23 0.66 4.14 0.00 -1.26 -4.83 121.76 121.33 9pcy s ALA 65 Ca -0.23 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 9pcy s ALA 65 Cb 0.03 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 9pcy s ALA 65 CO 0.56 0.03 1.19 -1.25 0.00 0.00 0.00 175.76 176.29 9pcy s PRO 66 N -1.95 2.63 0.00 0.00 0.04 -1.26 -3.33 135.00 131.13 9pcy s PRO 66 Ca 0.50 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.27 9pcy s PRO 66 Cb -0.23 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.42 9pcy s PRO 66 CO 0.29 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.28 9pcy n GLY 67 N 0.30 2.93 3.65 0.56 0.00 0.13 -4.97 105.19 107.79 9pcy n GLY 67 Ca 0.13 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.10 1.66 -3.77 1.61 1.02 -1.21 -4.36 120.64 114.50 9pcy n GLU 68 Ca 0.00 0.60 -0.36 0.00 -0.02 0.00 0.00 57.16 57.38 9pcy n GLU 68 Cb 0.00 -2.33 -0.12 0.00 -0.02 0.00 0.00 31.44 28.97 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 1.51 4.40 -0.47 2.62 -4.23 -1.26 -0.58 115.64 117.64 9pcy s THR 69 Ca 0.85 -0.14 -0.19 0.00 -1.18 0.00 0.00 61.69 61.03 9pcy s THR 69 Cb -0.83 -3.05 0.04 0.00 1.34 0.00 0.00 72.50 70.00 9pcy s THR 69 CO 0.46 0.34 0.56 -0.47 -0.54 0.00 0.00 174.62 174.97 9pcy s TYR 70 N 1.54 3.10 -0.06 3.99 5.04 0.25 -4.90 117.35 126.31 9pcy s TYR 70 Ca 0.06 -0.44 -0.12 0.00 -2.44 0.00 0.00 57.07 54.12 9pcy s TYR 70 Cb -0.15 -3.29 -0.05 0.00 0.35 0.00 0.00 41.96 38.82 9pcy s TYR 70 CO 0.04 -0.89 0.32 0.08 -1.34 0.00 0.00 175.55 173.75 9pcy s VAL 71 N 2.44 5.21 0.21 3.14 1.01 -1.26 -0.71 120.40 130.43 9pcy s VAL 71 Ca 0.15 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 9pcy s VAL 71 Cb -0.18 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 9pcy s VAL 71 CO 0.13 0.55 0.28 0.54 0.00 0.00 0.00 175.10 176.61 9pcy s VAL 72 N -0.77 0.02 -0.11 2.92 0.11 -0.21 -5.00 120.40 117.35 9pcy s VAL 72 Ca 0.20 -1.66 -0.06 0.00 -2.93 0.00 0.00 61.98 57.54 9pcy s VAL 72 Cb -0.15 -2.24 0.05 0.00 -1.53 0.00 0.00 36.38 32.51 9pcy s VAL 72 CO 0.09 -0.08 0.26 -0.89 -3.33 0.00 0.00 175.10 171.15 9pcy s THR 73 N -4.06 -0.04 -0.24 5.04 2.01 -1.26 -0.41 115.64 116.68 9pcy s THR 73 Ca 0.28 0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.39 9pcy s THR 73 Cb 0.03 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.16 9pcy s THR 73 CO 0.08 0.06 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.25 9pcy s LEU 74 N 1.23 3.06 -0.19 4.42 1.43 -1.25 -5.00 118.68 122.39 9pcy s LEU 74 Ca -0.09 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.14 9pcy s LEU 74 Cb -0.10 -1.68 -0.21 0.00 0.03 0.00 0.00 46.19 44.23 9pcy s LEU 74 CO -0.09 -0.09 0.19 -0.67 0.23 0.00 0.00 176.35 175.93 9pcy n ASP 75 N 4.71 1.96 -4.67 2.29 2.03 -1.26 -0.73 116.55 120.89 9pcy n ASP 75 Ca -0.17 0.32 -0.43 0.00 0.52 0.00 0.00 54.79 55.04 9pcy n ASP 75 Cb 0.48 -0.90 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 9pcy n ASP 75 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 9pcy s THR 76 N -2.45 4.09 0.68 5.18 2.01 -1.26 -4.37 115.64 119.52 9pcy s THR 76 Ca -0.28 1.34 -0.16 0.00 0.31 0.00 0.00 61.69 62.90 9pcy s THR 76 Cb 0.07 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.72 9pcy s THR 76 CO 0.64 -0.10 1.19 -1.59 -0.69 0.00 0.00 174.62 174.07 9pcy s LYS 77 N 3.37 2.51 0.00 4.92 -2.85 -1.26 -4.82 119.74 121.61 9pcy s LYS 77 Ca 0.59 1.70 0.00 0.00 -1.00 0.00 0.00 55.97 57.26 9pcy s LYS 77 Cb -0.25 -1.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 9pcy s LYS 77 CO 0.19 -1.54 0.00 0.41 0.10 0.00 0.00 175.35 174.52 9pcy n GLY 78 N 0.23 2.26 3.55 0.59 0.00 0.40 -4.85 105.19 107.38 9pcy n GLY 78 Ca 0.13 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.57 5.26 -0.15 2.61 2.01 -1.26 -0.14 115.64 122.39 9pcy s THR 79 Ca 0.00 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 9pcy s THR 79 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 9pcy s THR 79 CO 0.00 0.05 0.06 -0.31 -0.69 0.00 0.00 174.62 173.73 9pcy s TYR 80 N 1.83 3.29 -0.10 4.92 1.51 0.20 -4.35 117.35 124.64 9pcy s TYR 80 Ca 0.08 0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 56.29 9pcy s TYR 80 Cb -0.17 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 9pcy s TYR 80 CO 0.11 0.34 0.05 -1.12 -1.11 0.00 0.00 175.55 173.82 9pcy s SER 81 N -0.21 5.66 0.17 2.29 0.01 0.04 -0.51 113.70 121.16 9pcy s SER 81 Ca 0.08 0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.59 9pcy s SER 81 Cb -0.12 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 9pcy s SER 81 CO 0.01 0.38 0.06 0.72 0.41 0.00 0.00 173.24 174.82 9pcy s PHE 82 N -0.88 1.07 0.15 2.43 -0.12 0.19 -0.78 117.98 120.04 9pcy s PHE 82 Ca 0.13 -1.20 -0.14 0.00 -0.05 0.00 0.00 56.93 55.67 9pcy s PHE 82 Cb -0.12 -0.59 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 9pcy s PHE 82 CO 0.03 -0.44 0.39 1.52 -0.05 0.00 0.00 175.22 176.66 9pcy s TYR 83 N -3.94 -0.01 -0.44 3.49 1.13 0.59 -0.76 117.35 117.41 9pcy s TYR 83 Ca 0.28 -0.33 -0.14 0.00 -1.41 0.00 0.00 57.07 55.47 9pcy s TYR 83 Cb 0.07 0.20 0.06 0.00 -1.10 0.00 0.00 41.96 41.19 9pcy s TYR 83 CO 0.05 -0.75 0.33 0.00 -2.51 0.00 0.00 175.55 172.67 9pcy n SER 85 N 5.13 -0.58 0.00 0.00 2.88 -1.26 -0.59 113.62 119.20 9pcy n SER 85 Ca -0.12 1.37 0.03 0.00 -1.33 0.00 0.00 58.87 58.82 9pcy n SER 85 Cb 0.44 -0.32 0.17 0.00 -0.75 0.00 0.00 64.21 63.75 9pcy n SER 85 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 9pcy n PRO 86 N -4.24 0.12 -0.36 -1.46 -0.04 -1.26 -1.87 135.00 125.90 9pcy n PRO 86 Ca 0.01 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 9pcy n PRO 86 Cb 0.14 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.22 0.00 0.10 0.54 8.25 0.24 -4.81 115.22 118.32 9pcy n HIS 87 Ca 0.03 -0.52 -0.12 0.00 -0.26 0.00 0.00 57.72 56.85 9pcy n HIS 87 Cb 0.04 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 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 0.08 -0.24 -0.61 -0.41 5.75 -0.39 -0.21 115.11 119.09 9pcy h GLN 88 Ca -0.01 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.61 9pcy h GLN 88 Cb 1.23 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.80 9pcy h GLN 88 CO 0.00 -0.16 0.41 0.78 -2.65 0.00 0.00 178.83 177.21 9pcy h GLY 89 N -0.25 0.56 0.62 2.39 0.00 -1.87 0.64 103.07 105.16 9pcy h GLY 89 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.18 9pcy h GLY 89 CO -0.04 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.60 9pcy n ALA 90 N -2.52 2.64 -1.46 3.60 0.00 -0.72 -4.91 120.51 117.14 9pcy n ALA 90 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 9pcy n ALA 90 Cb 0.39 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 0.96 0.47 3.58 0.00 0.00 0.22 -4.95 105.19 105.47 9pcy n GLY 91 Ca 0.20 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.98 3.87 0.39 1.61 -2.45 -0.17 -4.89 119.30 114.68 9pcy s MET 92 Ca 0.00 -1.90 0.07 0.00 -1.25 0.00 0.00 55.69 52.60 9pcy s MET 92 Cb 0.00 -5.51 -0.08 0.00 1.25 0.00 0.00 34.83 30.49 9pcy s MET 92 CO 0.00 -2.38 0.01 0.14 1.05 0.00 0.00 175.02 173.84 9pcy s VAL 93 N 4.74 1.86 0.12 10.11 -7.23 -1.26 -0.93 120.40 127.82 9pcy s VAL 93 Ca 0.55 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.46 9pcy s VAL 93 Cb 0.03 -2.92 0.08 0.00 0.56 0.00 0.00 36.38 34.14 9pcy s VAL 93 CO 0.08 -0.02 1.12 -0.83 -0.31 0.00 0.00 175.10 175.13 9pcy s GLY 94 N -3.65 0.05 0.11 2.32 0.00 0.06 -4.55 107.32 101.66 9pcy s GLY 94 Ca 0.35 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.73 9pcy s GLY 94 CO 0.17 3.56 0.25 0.54 0.00 0.00 0.00 173.10 177.62 9pcy s LYS 95 N -2.08 0.96 -0.10 2.90 1.02 0.25 -0.64 119.74 122.05 9pcy s LYS 95 Ca 0.25 -0.98 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 9pcy s LYS 95 Cb -0.02 0.37 0.05 0.00 -0.52 0.00 0.00 37.83 37.71 9pcy s LYS 95 CO 0.04 -0.33 0.20 0.54 -0.92 0.00 0.00 175.35 174.88 9pcy s VAL 96 N -3.88 -0.22 -0.61 3.17 0.11 0.34 -2.44 120.40 116.87 9pcy s VAL 96 Ca 0.08 0.26 -0.17 0.00 -2.93 0.00 0.00 61.98 59.22 9pcy s VAL 96 Cb 0.04 -0.34 0.14 0.00 -1.53 0.00 0.00 36.38 34.68 9pcy s VAL 96 CO -0.08 0.11 0.61 -0.89 -3.33 0.00 0.00 175.10 171.52 9pcy s THR 97 N 1.90 5.15 -0.17 5.04 2.01 0.32 -0.63 115.64 129.26 9pcy s THR 97 Ca -0.02 -1.52 -0.29 0.00 0.31 0.00 0.00 61.69 60.17 9pcy s THR 97 Cb -0.12 -4.41 -0.01 0.00 0.01 0.00 0.00 72.50 67.97 9pcy s THR 97 CO -0.07 -0.98 1.23 -0.69 -0.69 0.00 0.00 174.62 173.42 9pcy s VAL 98 N 1.70 4.33 0.00 3.82 1.01 0.80 -0.84 120.40 131.21 9pcy s VAL 98 Ca 0.08 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.68 9pcy s VAL 98 Cb -0.25 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.09 9pcy s VAL 98 CO 0.02 -0.13 0.00 -0.46 0.00 0.00 0.00 175.10 174.52