#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 4.06 -0.23 1.96 2.02 -1.26 -0.35 118.70 124.90 9pcy s GLU 2 Ca 0.00 0.39 -0.03 0.00 0.02 0.00 0.00 54.97 55.35 9pcy s GLU 2 Cb 0.00 -3.66 0.01 0.00 0.10 0.00 0.00 34.13 30.58 9pcy s GLU 2 CO 0.00 -0.39 -0.05 0.08 0.02 0.00 0.00 175.26 174.92 9pcy s VAL 3 N 2.40 3.17 -0.24 2.63 1.01 0.16 -4.59 120.40 124.94 9pcy s VAL 3 Ca 0.23 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 9pcy s VAL 3 Cb -0.16 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 9pcy s VAL 3 CO 0.09 0.34 0.65 -0.76 0.00 0.00 0.00 175.10 175.42 9pcy s LEU 4 N 1.42 4.08 -0.43 3.92 1.43 0.41 -0.35 118.68 129.17 9pcy s LEU 4 Ca 0.04 0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 53.62 9pcy s LEU 4 Cb -0.15 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.20 9pcy s LEU 4 CO -0.04 -0.36 1.19 -0.76 0.23 0.00 0.00 176.35 176.61 9pcy s LEU 5 N 2.39 3.68 0.00 1.79 2.01 0.34 -0.90 118.68 127.98 9pcy s LEU 5 Ca 0.28 0.66 0.00 0.00 0.01 0.00 0.00 54.13 55.08 9pcy s LEU 5 Cb -0.16 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.50 9pcy s LEU 5 CO 0.09 -1.23 0.00 0.61 1.01 0.00 0.00 176.35 176.83 9pcy n GLY 6 N 4.73 0.44 3.87 -3.19 0.00 0.67 -1.83 105.19 109.89 9pcy n GLY 6 Ca 0.13 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.60 6.35 0.43 1.61 1.04 -0.01 -4.23 113.70 118.29 9pcy s SER 7 Ca 0.00 1.34 0.15 0.00 0.48 0.00 0.00 55.95 57.93 9pcy s SER 7 Cb 0.00 -2.43 1.06 0.00 0.10 0.00 0.00 66.02 64.75 9pcy s SER 7 CO 0.00 -0.72 1.94 1.23 0.98 0.00 0.00 173.24 176.67 9pcy h GLY 8 N 0.18 0.63 1.37 7.32 0.00 -1.96 0.11 103.07 110.72 9pcy h GLY 8 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.71 9pcy h GLY 8 CO 0.62 0.07 0.00 2.09 0.00 0.00 0.00 176.54 179.32 9pcy n ASP 9 N -4.47 0.00 0.00 0.19 5.68 -1.26 -4.90 116.55 111.79 9pcy n ASP 9 Ca 0.13 -0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 9pcy n ASP 9 Cb 0.48 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.69 3.45 3.70 6.12 0.00 0.40 -5.05 105.19 114.49 9pcy n GLY 10 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 3.44 -3.45 1.61 2.88 -1.26 -4.47 113.62 112.36 9pcy n SER 11 Ca 0.00 1.10 -0.35 0.00 -1.33 0.00 0.00 58.87 58.28 9pcy n SER 11 Cb 0.00 -1.50 -0.03 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 3.16 5.22 -4.34 2.46 4.77 -1.26 -0.83 117.00 126.19 9pcy n LEU 12 Ca 0.14 -3.21 -0.25 0.00 -0.03 0.00 0.00 56.01 52.66 9pcy n LEU 12 Cb 0.32 -1.23 -0.12 0.00 -2.33 0.00 0.00 43.42 40.06 9pcy n LEU 12 CO 0.63 0.42 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.89 9pcy s VAL 13 N 3.93 1.94 -0.07 4.08 1.01 -1.26 -4.11 120.40 125.92 9pcy s VAL 13 Ca 0.51 -1.72 -0.24 0.00 0.00 0.00 0.00 61.98 60.53 9pcy s VAL 13 Cb 0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 9pcy s VAL 13 CO 0.02 -0.07 0.72 -0.36 0.00 0.00 0.00 175.10 175.41 9pcy s PHE 14 N -1.34 3.58 -0.32 5.22 0.40 -1.26 -0.24 117.98 124.02 9pcy s PHE 14 Ca 0.12 1.27 0.02 0.00 -0.60 0.00 0.00 56.93 57.74 9pcy s PHE 14 Cb -0.09 -2.83 0.08 0.00 0.51 0.00 0.00 43.02 40.69 9pcy s PHE 14 CO 0.06 0.07 0.01 0.08 0.70 0.00 0.00 175.22 176.14 9pcy s VAL 15 N 0.86 2.46 0.73 -0.44 1.01 -0.08 -1.40 120.40 123.55 9pcy s VAL 15 Ca 0.38 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 9pcy s VAL 15 Cb -0.18 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.60 9pcy s VAL 15 CO 0.18 -0.36 1.07 -2.16 0.00 0.00 0.00 175.10 173.84 9pcy s PRO 16 N 1.04 2.63 -0.14 2.72 0.04 -1.26 -0.45 135.00 139.58 9pcy s PRO 16 Ca 0.02 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 61.79 9pcy s PRO 16 Cb -0.20 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 9pcy s PRO 16 CO -0.06 -1.29 -0.20 -1.13 0.04 0.00 0.00 177.00 174.37 9pcy n SER 17 N -3.24 1.74 -4.55 6.66 3.41 -0.49 -4.86 113.62 112.29 9pcy n SER 17 Ca 0.07 0.57 -0.35 0.00 -0.26 0.00 0.00 58.87 58.90 9pcy n SER 17 Cb 0.55 -0.83 -0.11 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.29 3.83 0.21 4.33 -6.30 -1.26 -0.62 118.70 116.59 9pcy s GLU 18 Ca -0.16 -0.42 -0.08 0.00 -2.50 0.00 0.00 54.97 51.81 9pcy s GLU 18 Cb 0.02 -3.19 0.03 0.00 0.00 0.00 0.00 34.13 30.99 9pcy s GLU 18 CO 0.24 0.13 0.43 1.97 0.02 0.00 0.00 175.26 178.05 9pcy n PHE 19 N 3.94 -1.74 -3.84 5.30 -1.74 -0.89 -4.98 117.46 113.51 9pcy n PHE 19 Ca -0.17 -1.01 -0.10 0.00 -0.56 0.00 0.00 57.45 55.62 9pcy n PHE 19 Cb 0.52 0.50 -0.08 0.00 1.52 0.00 0.00 39.48 41.94 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 -2.12 0.06 -0.01 5.98 1.04 -1.26 -0.91 113.70 116.48 9pcy s SER 20 Ca 0.09 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 9pcy s SER 20 Cb -0.03 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.44 9pcy s SER 20 CO 0.06 -0.63 0.42 0.68 0.98 0.00 0.00 173.24 174.75 9pcy s VAL 21 N -3.07 0.04 0.47 5.02 -7.23 -0.66 -4.89 120.40 110.08 9pcy s VAL 21 Ca -0.01 -0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 59.57 9pcy s VAL 21 Cb 0.01 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 36.08 9pcy s VAL 21 CO -0.07 -0.20 1.08 -2.16 -0.31 0.00 0.00 175.10 173.44 9pcy s PRO 22 N -1.61 3.79 -0.22 4.82 0.04 -1.26 -0.45 135.00 140.11 9pcy s PRO 22 Ca -0.11 1.51 -0.39 0.00 0.04 0.00 0.00 61.00 62.05 9pcy s PRO 22 Cb -0.03 -2.23 -0.15 0.00 0.04 0.00 0.00 34.50 32.13 9pcy s PRO 22 CO 0.04 -0.47 1.72 0.43 0.04 0.00 0.00 177.00 178.76 9pcy n SER 23 N -0.75 2.45 0.00 6.66 7.64 0.20 -1.19 113.62 128.63 9pcy n SER 23 Ca 0.08 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.03 9pcy n SER 23 Cb 0.51 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 4.05 0.48 3.75 0.23 0.00 0.26 -4.93 105.19 109.03 9pcy n GLY 24 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.68 4.21 -0.51 1.61 -6.30 -0.33 -4.76 118.70 111.94 9pcy s GLU 25 Ca 0.00 2.42 -0.21 0.00 -2.50 0.00 0.00 54.97 54.68 9pcy s GLU 25 Cb 0.00 -3.06 0.05 0.00 0.00 0.00 0.00 34.13 31.12 9pcy s GLU 25 CO 0.00 -0.49 0.72 0.15 0.02 0.00 0.00 175.26 175.66 9pcy s LYS 26 N -0.66 3.20 0.05 4.30 1.02 -1.26 -2.99 119.74 123.40 9pcy s LYS 26 Ca 0.59 -0.64 -0.24 0.00 0.02 0.00 0.00 55.97 55.70 9pcy s LYS 26 Cb -0.44 -4.07 -0.06 0.00 -0.52 0.00 0.00 37.83 32.74 9pcy s LYS 26 CO 0.47 -1.28 0.74 0.42 -0.92 0.00 0.00 175.35 174.79 9pcy s ILE 27 N 3.06 4.72 -0.34 2.17 1.01 0.91 -1.69 121.20 131.03 9pcy s ILE 27 Ca 0.21 1.59 0.04 0.00 0.00 0.00 0.00 60.65 62.48 9pcy s ILE 27 Cb -0.17 -4.09 0.10 0.00 0.01 0.00 0.00 42.46 38.31 9pcy s ILE 27 CO 0.15 0.39 0.05 -0.69 0.00 0.00 0.00 174.94 174.84 9pcy s VAL 28 N -0.17 2.32 -0.52 2.92 1.01 0.52 -0.89 120.40 125.59 9pcy s VAL 28 Ca 0.37 -2.32 -0.24 0.00 0.00 0.00 0.00 61.98 59.80 9pcy s VAL 28 Cb -0.20 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.51 9pcy s VAL 28 CO 0.22 -0.59 0.89 -0.36 0.00 0.00 0.00 175.10 175.27 9pcy s PHE 29 N 0.92 2.87 -0.15 5.22 0.08 0.36 -0.66 117.98 126.61 9pcy s PHE 29 Ca 0.10 0.04 -0.05 0.00 0.12 0.00 0.00 56.93 57.14 9pcy s PHE 29 Cb -0.19 -3.95 -0.04 0.00 -0.57 0.00 0.00 43.02 38.28 9pcy s PHE 29 CO -0.08 -1.23 0.02 0.21 -0.10 0.00 0.00 175.22 174.05 9pcy s LYS 30 N 3.71 3.69 -0.27 0.44 2.20 0.53 -0.25 119.74 129.80 9pcy s LYS 30 Ca 0.30 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.22 9pcy s LYS 30 Cb -0.13 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 9pcy s LYS 30 CO 0.20 0.35 1.72 -0.80 -0.36 0.00 0.00 175.35 176.46 9pcy s ASN 31 N 0.11 6.14 0.00 1.43 -0.87 0.25 -0.50 114.94 121.50 9pcy s ASN 31 Ca 0.03 1.49 0.00 0.00 -1.57 0.00 0.00 52.86 52.81 9pcy s ASN 31 Cb -0.13 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 9pcy s ASN 31 CO 0.02 -1.48 0.00 -3.20 -2.57 0.00 0.00 177.10 169.87 9pcy n ASN 32 N 9.33 0.00 -4.10 -1.22 5.15 -0.76 -0.43 115.26 123.22 9pcy n ASN 32 Ca 0.21 0.05 -0.10 0.00 -0.60 0.00 0.00 54.58 54.13 9pcy n ASN 32 Cb 0.46 -0.39 -0.09 0.00 -0.53 0.00 0.00 39.78 39.23 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 -3.42 0.63 -1.79 5.20 0.00 -1.06 -4.70 121.76 116.61 9pcy s ALA 33 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 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 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.57 9pcy n GLY 34 N -0.21 0.96 3.79 0.00 0.00 -1.26 -3.97 105.19 104.50 9pcy n GLY 34 Ca -0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.77 2.64 0.88 1.61 -0.12 -1.26 -4.79 117.98 114.17 9pcy s PHE 35 Ca 0.00 1.00 -0.10 0.00 -0.05 0.00 0.00 56.93 57.78 9pcy s PHE 35 Cb 0.00 -3.26 0.12 0.00 -0.63 0.00 0.00 43.02 39.25 9pcy s PHE 35 CO 0.00 -2.11 1.14 -2.14 -0.05 0.00 0.00 175.22 172.05 9pcy s PRO 36 N -5.21 1.32 0.24 1.99 0.02 -1.26 -5.09 135.00 127.02 9pcy s PRO 36 Ca 0.62 1.47 -0.11 0.00 0.02 0.00 0.00 61.00 63.00 9pcy s PRO 36 Cb -0.15 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 32.59 9pcy s PRO 36 CO 0.54 -2.39 0.42 -1.01 -0.33 0.00 0.00 177.00 174.22 9pcy s HIS 37 N -2.70 0.51 0.27 6.54 3.76 -0.13 -4.89 115.29 118.65 9pcy s HIS 37 Ca 0.66 -0.85 -0.20 0.00 -0.15 0.00 0.00 55.06 54.52 9pcy s HIS 37 Cb -0.22 0.05 0.06 0.00 1.11 0.00 0.00 32.58 33.59 9pcy s HIS 37 CO 0.57 -0.93 0.90 0.54 -0.85 0.00 0.00 174.74 174.97 9pcy s ASN 38 N -3.05 -0.04 -0.15 1.40 4.22 -1.26 0.21 114.94 116.27 9pcy s ASN 38 Ca 0.26 -0.83 -0.04 0.00 -2.14 0.00 0.00 52.86 50.11 9pcy s ASN 38 Cb 0.01 0.66 0.05 0.00 1.28 0.00 0.00 41.25 43.25 9pcy s ASN 38 CO 0.10 -1.30 0.06 -0.69 -2.04 0.00 0.00 177.10 173.23 9pcy s VAL 39 N -2.51 0.10 -0.09 3.54 1.01 -1.26 -4.14 120.40 117.06 9pcy s VAL 39 Ca 0.17 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.02 9pcy s VAL 39 Cb -0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 9pcy s VAL 39 CO 0.08 -0.16 -0.19 -0.69 0.00 0.00 0.00 175.10 174.14 9pcy s VAL 40 N 2.06 2.59 0.01 2.92 1.01 0.26 -0.47 120.40 128.79 9pcy s VAL 40 Ca 0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 9pcy s VAL 40 Cb -0.15 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 9pcy s VAL 40 CO -0.08 0.56 0.41 -0.36 0.00 0.00 0.00 175.10 175.63 9pcy s PHE 41 N -0.03 3.71 -0.51 5.22 0.40 -1.26 -0.44 117.98 125.07 9pcy s PHE 41 Ca -0.05 0.97 -0.27 0.00 -0.60 0.00 0.00 56.93 56.98 9pcy s PHE 41 Cb -0.14 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.10 9pcy s PHE 41 CO 0.05 0.63 1.73 0.34 0.70 0.00 0.00 175.22 178.67 9pcy s ASP 42 N -1.17 5.68 0.49 1.36 2.15 0.11 -4.86 116.67 120.44 9pcy s ASP 42 Ca 0.25 0.65 0.31 0.00 0.43 0.00 0.00 52.55 54.18 9pcy s ASP 42 Cb -0.16 -2.53 1.41 0.00 -0.30 0.00 0.00 42.92 41.33 9pcy s ASP 42 CO 0.14 -2.00 1.78 -0.33 -0.17 0.00 0.00 175.17 174.59 9pcy h GLU 43 N 13.37 0.12 -0.30 4.34 3.07 -1.95 0.17 114.58 133.41 9pcy h GLU 43 Ca -0.28 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 9pcy h GLU 43 Cb 1.15 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 9pcy h GLU 43 CO 1.15 0.08 0.00 -0.25 -1.40 0.00 0.00 179.01 178.59 9pcy n ASP 44 N -4.34 2.19 -2.95 1.42 9.92 -1.26 -4.43 116.55 117.10 9pcy n ASP 44 Ca 0.26 -1.86 -0.14 0.00 -0.53 0.00 0.00 54.79 52.52 9pcy n ASP 44 Cb 1.15 -0.19 0.02 0.00 -0.64 0.00 0.00 41.12 41.45 9pcy n ASP 44 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 9pcy n GLU 45 N 0.67 0.91 -3.58 -1.24 2.13 0.59 -5.09 120.64 115.03 9pcy n GLU 45 Ca 0.16 -2.56 -0.12 0.00 0.66 0.00 0.00 57.16 55.30 9pcy n GLU 45 Cb 0.39 -1.35 -0.04 0.00 0.27 0.00 0.00 31.44 30.70 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 9pcy s ILE 46 N -0.74 0.04 -0.29 6.31 -4.36 -1.22 -1.35 121.20 119.59 9pcy s ILE 46 Ca 0.32 -0.36 -0.31 0.00 -0.26 0.00 0.00 60.65 60.03 9pcy s ILE 46 Cb 0.28 -1.06 -0.08 0.00 1.25 0.00 0.00 42.46 42.84 9pcy s ILE 46 CO -0.10 -0.20 2.22 -2.65 0.24 0.00 0.00 174.94 174.45 9pcy n PRO 47 N -0.03 1.52 -0.23 0.37 -0.02 -1.26 -4.83 135.00 130.52 9pcy n PRO 47 Ca -0.17 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 61.85 9pcy n PRO 47 Cb 0.63 -2.90 0.27 0.00 -0.02 0.00 0.00 33.50 31.48 9pcy n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 9pcy n ALA 48 N 11.11 0.48 0.18 3.55 0.00 -1.26 -0.48 120.51 134.09 9pcy n ALA 48 Ca 0.35 0.72 0.12 0.00 0.00 0.00 0.00 53.44 54.63 9pcy n ALA 48 Cb 0.36 -0.59 0.66 0.00 0.00 0.00 0.00 19.45 19.88 9pcy n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 9pcy h GLY 49 N 0.00 0.00 -7.00 0.00 0.00 -2.00 -3.40 103.07 90.67 9pcy h GLY 49 Ca 0.47 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.21 9pcy h GLY 49 CO -0.60 0.00 0.65 0.14 0.00 0.00 0.00 176.54 176.73 9pcy s VAL 50 N -5.04 4.36 -0.08 4.60 1.01 0.37 -4.99 120.40 120.63 9pcy s VAL 50 Ca -0.05 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 9pcy s VAL 50 Cb 0.18 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 9pcy s VAL 50 CO 0.68 -1.04 2.07 -0.67 0.00 0.00 0.00 175.10 176.14 9pcy n ASP 51 N 7.52 3.73 -0.34 3.32 2.03 -1.26 -4.86 116.55 126.70 9pcy n ASP 51 Ca 0.05 0.64 0.20 0.00 0.52 0.00 0.00 54.79 56.19 9pcy n ASP 51 Cb 0.48 -1.52 0.42 0.00 -0.72 0.00 0.00 41.12 39.78 9pcy n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 9pcy h ALA 52 N 12.18 1.82 0.00 -1.67 0.00 -1.92 0.11 119.26 129.77 9pcy h ALA 52 Ca -0.46 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 9pcy h ALA 52 Cb 1.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 9pcy h ALA 52 CO 0.95 -0.41 -0.01 0.28 0.00 0.00 0.00 179.25 180.06 9pcy h VAL 53 N 0.45 0.90 0.03 0.00 2.07 -1.89 0.18 116.25 117.99 9pcy h VAL 53 Ca 0.67 -0.04 -0.22 0.00 0.82 0.00 0.00 66.70 67.94 9pcy h VAL 53 Cb 1.40 1.02 0.02 0.00 -1.52 0.00 0.00 31.29 32.21 9pcy h VAL 53 CO -0.54 0.01 -0.88 0.11 0.02 0.00 0.00 177.57 176.29 9pcy h LYS 54 N 0.00 0.54 0.06 1.57 1.57 -1.15 -3.33 116.57 115.82 9pcy h LYS 54 Ca -0.00 -0.63 -0.24 0.00 -1.87 0.00 0.00 60.65 57.92 9pcy h LYS 54 Cb 0.02 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 9pcy h LYS 54 CO 0.00 1.24 -1.08 -0.84 -0.57 0.00 0.00 179.45 178.20 9pcy h ILE 55 N 0.11 1.57 -3.82 1.86 3.07 -1.45 -3.46 117.51 115.40 9pcy h ILE 55 Ca -0.12 -3.08 -0.49 0.00 1.55 0.00 0.00 64.86 62.72 9pcy h ILE 55 Cb 1.58 2.80 -0.01 0.00 -0.27 0.00 0.00 36.82 40.92 9pcy h ILE 55 CO 0.17 0.89 0.39 -0.44 -1.05 0.00 0.00 178.15 178.11 9pcy s SER 56 N -6.96 7.39 0.03 2.16 0.01 0.60 -4.87 113.70 112.07 9pcy s SER 56 Ca -0.02 2.01 -0.31 0.00 1.31 0.00 0.00 55.95 58.94 9pcy s SER 56 Cb 0.09 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 9pcy s SER 56 CO 0.85 -0.04 1.92 0.80 0.41 0.00 0.00 173.24 177.18 9pcy n MET 57 N 1.03 2.70 -1.46 12.44 1.56 0.39 -4.79 117.12 128.99 9pcy n MET 57 Ca -0.00 0.99 -0.45 0.00 -0.27 0.00 0.00 57.70 57.96 9pcy n MET 57 Cb 0.47 -2.91 -0.10 0.00 2.15 0.00 0.00 33.22 32.84 9pcy n MET 57 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 9pcy n PRO 58 N 6.85 0.48 -0.37 2.12 -0.02 -1.26 -4.77 135.00 138.03 9pcy n PRO 58 Ca 0.20 0.07 0.37 0.00 -2.02 0.00 0.00 63.50 62.12 9pcy n PRO 58 Cb 0.37 -2.15 0.67 0.00 -0.02 0.00 0.00 33.50 32.38 9pcy n PRO 58 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 9pcy h GLU 59 N 13.25 0.00 -0.65 -0.52 3.07 -1.96 0.50 114.58 128.26 9pcy h GLU 59 Ca -0.15 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.77 9pcy h GLU 59 Cb 1.32 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.19 9pcy h GLU 59 CO 1.21 0.00 0.43 1.49 -1.40 0.00 0.00 179.01 180.74 9pcy h GLU 60 N 0.00 0.65 -6.30 2.33 4.81 -2.02 -3.42 114.58 110.64 9pcy h GLU 60 Ca 0.62 -0.04 -0.61 0.00 -0.13 0.00 0.00 59.36 59.21 9pcy h GLU 60 Cb 2.86 -0.15 -0.14 0.00 0.63 0.00 0.00 28.75 31.96 9pcy h GLU 60 CO -0.01 0.43 -0.73 -1.83 -0.73 0.00 0.00 179.01 176.14 9pcy s GLU 61 N -5.60 1.87 0.08 1.92 -1.05 0.17 -5.16 118.70 110.92 9pcy s GLU 61 Ca -0.09 -1.58 -0.07 0.00 -0.15 0.00 0.00 54.97 53.08 9pcy s GLU 61 Cb 0.19 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.94 9pcy s GLU 61 CO 0.76 0.36 0.14 -0.51 0.95 0.00 0.00 175.26 176.97 9pcy s LEU 62 N -3.34 1.64 -0.83 1.83 1.02 -1.26 -4.65 118.68 113.09 9pcy s LEU 62 Ca 0.28 -0.70 -0.26 0.00 0.02 0.00 0.00 54.13 53.48 9pcy s LEU 62 Cb -0.06 0.85 0.03 0.00 0.02 0.00 0.00 46.19 47.03 9pcy s LEU 62 CO 0.16 -0.69 1.38 -0.76 0.02 0.00 0.00 176.35 176.46 9pcy s LEU 63 N -2.81 3.28 -0.11 1.79 1.43 0.13 -4.86 118.68 117.54 9pcy s LEU 63 Ca 0.04 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 9pcy s LEU 63 Cb 0.05 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 9pcy s LEU 63 CO -0.10 -1.77 0.13 -0.55 0.23 0.00 0.00 176.35 174.29 9pcy h ASN 64 N 10.19 0.00 -4.37 2.29 -1.07 -1.96 -0.33 115.58 120.33 9pcy h ASN 64 Ca -0.11 -0.18 -0.51 0.00 0.07 0.00 0.00 56.30 55.58 9pcy h ASN 64 Cb 1.04 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 37.35 9pcy h ASN 64 CO 1.33 0.60 0.42 0.00 0.07 0.00 0.00 177.43 179.84 9pcy s ALA 65 N -2.50 3.06 0.90 4.14 0.00 -1.26 -4.13 121.76 121.97 9pcy s ALA 65 Ca -0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 9pcy s ALA 65 Cb -0.00 -3.08 0.13 0.00 0.00 0.00 0.00 23.12 20.17 9pcy s ALA 65 CO 0.13 -0.76 1.11 -1.25 0.00 0.00 0.00 175.76 174.99 9pcy s PRO 66 N -5.19 1.17 0.00 0.00 0.04 -1.26 -3.58 135.00 126.18 9pcy s PRO 66 Ca 0.55 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.84 9pcy s PRO 66 Cb -0.11 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.66 9pcy s PRO 66 CO 0.54 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.56 9pcy n GLY 67 N -0.33 1.00 3.52 0.56 0.00 0.43 -4.94 105.19 105.42 9pcy n GLY 67 Ca 0.09 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.54 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 0.28 -4.18 1.61 -0.58 -1.23 -4.14 120.64 112.40 9pcy n GLU 68 Ca 0.00 0.10 -0.30 0.00 -0.42 0.00 0.00 57.16 56.55 9pcy n GLU 68 Cb 0.00 -1.62 -0.09 0.00 -0.57 0.00 0.00 31.44 29.16 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 0.08 3.69 -0.20 2.62 -4.23 -1.26 -0.58 115.64 115.76 9pcy s THR 69 Ca 0.89 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 9pcy s THR 69 Cb -1.18 -2.75 0.05 0.00 1.34 0.00 0.00 72.50 69.95 9pcy s THR 69 CO 0.55 0.09 -0.07 -0.47 -0.54 0.00 0.00 174.62 174.18 9pcy s TYR 70 N -1.31 2.16 -0.14 3.99 5.04 0.66 -4.97 117.35 122.78 9pcy s TYR 70 Ca 0.24 -1.48 -0.08 0.00 -2.44 0.00 0.00 57.07 53.31 9pcy s TYR 70 Cb -0.11 -1.51 -0.04 0.00 0.35 0.00 0.00 41.96 40.65 9pcy s TYR 70 CO 0.16 -0.71 0.13 0.08 -1.34 0.00 0.00 175.55 173.87 9pcy s VAL 71 N 1.48 5.41 -0.13 3.14 1.01 -1.26 -0.48 120.40 129.57 9pcy s VAL 71 Ca -0.02 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 9pcy s VAL 71 Cb -0.17 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.86 9pcy s VAL 71 CO -0.07 0.56 0.36 0.54 0.00 0.00 0.00 175.10 176.49 9pcy s VAL 72 N -0.59 0.00 -0.16 2.92 0.11 -0.07 -5.00 120.40 117.61 9pcy s VAL 72 Ca 0.13 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.11 9pcy s VAL 72 Cb -0.12 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 9pcy s VAL 72 CO 0.02 -0.02 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.80 9pcy s THR 73 N 0.06 3.38 -0.19 5.04 2.01 -1.26 -0.06 115.64 124.61 9pcy s THR 73 Ca -0.01 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 9pcy s THR 73 Cb -0.03 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 9pcy s THR 73 CO 0.01 0.49 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 9pcy s LEU 74 N 0.64 3.04 -0.16 4.42 1.43 -1.16 -5.00 118.68 121.89 9pcy s LEU 74 Ca -0.05 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 9pcy s LEU 74 Cb -0.15 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 9pcy s LEU 74 CO 0.03 0.07 -0.19 0.47 0.23 0.00 0.00 176.35 176.95 9pcy n ASP 75 N 4.22 1.48 -4.71 2.29 9.92 -1.26 -0.58 116.55 127.91 9pcy n ASP 75 Ca -0.18 0.14 -0.42 0.00 -0.53 0.00 0.00 54.79 53.80 9pcy n ASP 75 Cb 0.52 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 9pcy n ASP 75 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 9pcy s THR 76 N -2.29 3.00 0.68 -3.53 2.01 -1.26 -4.50 115.64 109.74 9pcy s THR 76 Ca -0.22 0.66 -0.14 0.00 0.31 0.00 0.00 61.69 62.29 9pcy s THR 76 Cb 0.08 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.18 9pcy s THR 76 CO 0.30 0.04 1.12 -0.54 -0.69 0.00 0.00 174.62 174.84 9pcy s LYS 77 N 1.51 2.67 0.00 4.92 1.02 -1.26 -4.75 119.74 123.85 9pcy s LYS 77 Ca 0.69 1.40 0.00 0.00 0.02 0.00 0.00 55.97 58.08 9pcy s LYS 77 Cb -0.40 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 9pcy s LYS 77 CO 0.31 -1.35 0.00 0.41 -0.92 0.00 0.00 175.35 173.80 9pcy n GLY 78 N -0.50 1.81 3.69 -3.33 0.00 0.08 -4.84 105.19 102.10 9pcy n GLY 78 Ca 0.10 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.46 5.25 -0.20 2.61 2.01 -1.26 -0.18 115.64 122.42 9pcy s THR 79 Ca 0.00 0.63 -0.01 0.00 0.31 0.00 0.00 61.69 62.61 9pcy s THR 79 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.83 9pcy s THR 79 CO 0.00 0.31 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.81 9pcy s TYR 80 N 0.96 2.86 0.02 4.92 1.51 0.27 -4.21 117.35 123.68 9pcy s TYR 80 Ca 0.18 -1.24 -0.16 0.00 -1.01 0.00 0.00 57.07 54.84 9pcy s TYR 80 Cb -0.14 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.65 9pcy s TYR 80 CO 0.06 -0.64 0.45 -1.12 -1.11 0.00 0.00 175.55 173.19 9pcy s SER 81 N 1.32 6.87 0.14 2.29 0.01 -0.46 -0.69 113.70 123.17 9pcy s SER 81 Ca 0.04 1.03 -0.01 0.00 1.31 0.00 0.00 55.95 58.33 9pcy s SER 81 Cb -0.14 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 9pcy s SER 81 CO -0.07 0.31 0.05 0.72 0.41 0.00 0.00 173.24 174.66 9pcy s PHE 82 N -1.10 0.92 0.08 2.43 -0.12 0.07 -0.71 117.98 119.55 9pcy s PHE 82 Ca 0.25 -1.22 -0.16 0.00 -0.05 0.00 0.00 56.93 55.75 9pcy s PHE 82 Cb -0.17 -0.51 0.03 0.00 -0.63 0.00 0.00 43.02 41.74 9pcy s PHE 82 CO 0.15 -0.49 0.38 1.52 -0.05 0.00 0.00 175.22 176.73 9pcy s TYR 83 N -4.01 -0.20 -0.52 3.49 1.13 0.41 -0.87 117.35 116.79 9pcy s TYR 83 Ca 0.25 0.01 -0.16 0.00 -1.41 0.00 0.00 57.07 55.75 9pcy s TYR 83 Cb 0.07 0.21 0.11 0.00 -1.10 0.00 0.00 41.96 41.24 9pcy s TYR 83 CO 0.02 -0.62 0.47 0.00 -2.51 0.00 0.00 175.55 172.92 9pcy h SER 85 N 8.85 -1.73 -0.01 0.00 0.02 -1.87 0.22 113.55 119.04 9pcy h SER 85 Ca -0.29 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 9pcy h SER 85 Cb 1.10 0.78 -0.00 0.00 0.14 0.00 0.00 62.40 64.42 9pcy h SER 85 CO 0.98 -0.31 0.39 -0.65 -1.14 0.00 0.00 176.83 176.10 9pcy h PRO 86 N -0.16 0.00 0.00 3.45 0.11 -1.94 -1.73 132.00 131.73 9pcy h PRO 86 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 9pcy h PRO 86 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 9pcy h PRO 86 CO -0.78 0.00 -0.24 0.72 -0.21 0.00 0.00 178.00 177.49 9pcy n HIS 87 N -2.87 0.00 0.10 0.65 8.25 0.30 -4.83 115.22 116.82 9pcy n HIS 87 Ca -0.02 -0.45 -0.13 0.00 -0.26 0.00 0.00 57.72 56.87 9pcy n HIS 87 Cb 0.44 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.15 -0.40 -0.41 -0.00 0.27 0.18 115.11 114.59 9pcy h GLN 88 Ca 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 58.77 9pcy h GLN 88 Cb 1.17 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.67 9pcy h GLN 88 CO 0.00 -0.10 0.29 0.78 0.00 0.00 0.00 178.83 179.80 9pcy h GLY 89 N -0.16 0.04 -0.15 2.39 0.00 -1.87 0.11 103.07 103.42 9pcy h GLY 89 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.30 9pcy h GLY 89 CO 0.03 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.57 9pcy n ALA 90 N -2.61 2.55 -0.82 3.60 0.00 -0.63 -4.90 120.51 117.70 9pcy n ALA 90 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.23 9pcy n ALA 90 Cb 0.46 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.88 0.54 3.55 0.00 0.00 0.37 -4.97 105.19 105.55 9pcy n GLY 91 Ca 0.12 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 9pcy n GLY 91 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 9pcy n MET 92 N -2.82 2.95 -4.47 1.61 0.00 -0.05 -4.87 117.12 109.46 9pcy n MET 92 Ca 0.00 -3.13 -0.23 0.00 -0.00 0.00 0.00 57.70 54.34 9pcy n MET 92 Cb 0.00 -3.53 -0.11 0.00 0.00 0.00 0.00 33.22 29.59 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 5.21 1.36 0.17 1.12 -7.23 -1.26 -1.14 120.40 118.63 9pcy s VAL 93 Ca 0.56 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 9pcy s VAL 93 Cb 0.04 -2.79 0.08 0.00 0.56 0.00 0.00 36.38 34.26 9pcy s VAL 93 CO 0.08 -0.03 1.06 -0.83 -0.31 0.00 0.00 175.10 175.07 9pcy s GLY 94 N -3.52 0.11 -0.02 2.32 0.00 -0.05 -4.52 107.32 101.65 9pcy s GLY 94 Ca 0.36 -0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.59 9pcy s GLY 94 CO 0.16 2.88 0.31 0.54 0.00 0.00 0.00 173.10 176.99 9pcy s LYS 95 N -2.10 0.66 -0.05 2.90 1.02 0.20 -0.75 119.74 121.62 9pcy s LYS 95 Ca 0.23 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.07 9pcy s LYS 95 Cb -0.03 0.29 0.02 0.00 -0.52 0.00 0.00 37.83 37.60 9pcy s LYS 95 CO 0.05 -0.18 -0.02 0.54 -0.92 0.00 0.00 175.35 174.82 9pcy s VAL 96 N -1.25 0.38 -0.44 3.17 0.11 0.13 -2.09 120.40 120.42 9pcy s VAL 96 Ca -0.13 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 9pcy s VAL 96 Cb -0.05 -0.46 0.06 0.00 -1.53 0.00 0.00 36.38 34.40 9pcy s VAL 96 CO 0.04 0.21 0.33 -0.89 -3.33 0.00 0.00 175.10 171.46 9pcy s THR 97 N 1.21 4.93 -0.16 5.04 2.01 -0.09 -0.56 115.64 128.02 9pcy s THR 97 Ca -0.07 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.58 9pcy s THR 97 Cb -0.14 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 9pcy s THR 97 CO -0.02 -0.48 1.04 -0.69 -0.69 0.00 0.00 174.62 173.78 9pcy s VAL 98 N 1.59 4.71 0.00 3.82 1.01 0.75 -1.65 120.40 130.62 9pcy s VAL 98 Ca 0.04 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.02 9pcy s VAL 98 Cb -0.23 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.86 9pcy s VAL 98 CO 0.06 -0.08 0.06 -0.46 0.00 0.00 0.00 175.10 174.68