#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 3.15 -0.22 3.23 2.12 -1.26 -0.75 118.70 124.97 9pcy s GLU 2 Ca 0.00 -1.80 -0.22 0.00 0.36 0.00 0.00 54.97 53.31 9pcy s GLU 2 Cb 0.00 -4.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.03 9pcy s GLU 2 CO 0.00 -1.37 0.70 0.08 -0.54 0.00 0.00 175.26 174.13 9pcy s VAL 3 N 1.51 4.95 -0.20 3.70 1.01 0.90 -4.75 120.40 127.53 9pcy s VAL 3 Ca 0.08 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 63.13 9pcy s VAL 3 Cb -0.24 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 9pcy s VAL 3 CO 0.01 0.03 0.81 -0.76 0.00 0.00 0.00 175.10 175.19 9pcy s LEU 4 N 2.35 4.14 -0.67 3.92 1.43 0.44 -0.64 118.68 129.65 9pcy s LEU 4 Ca 0.30 1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 54.27 9pcy s LEU 4 Cb -0.16 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 42.94 9pcy s LEU 4 CO 0.09 -0.42 1.02 -0.76 0.23 0.00 0.00 176.35 176.51 9pcy s LEU 5 N 2.34 4.20 0.00 1.79 1.43 0.54 -0.80 118.68 128.18 9pcy s LEU 5 Ca 0.36 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 9pcy s LEU 5 Cb -0.16 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.62 9pcy s LEU 5 CO 0.11 -1.50 0.00 0.61 0.23 0.00 0.00 176.35 175.79 9pcy n GLY 6 N 5.34 2.25 3.95 -3.19 0.00 0.51 -1.18 105.19 112.87 9pcy n GLY 6 Ca -0.02 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 4.49 0.24 1.61 1.04 -0.05 -4.57 113.70 116.45 9pcy s SER 7 Ca 0.00 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.58 9pcy s SER 7 Cb 0.00 -0.72 0.40 0.00 0.10 0.00 0.00 66.02 65.80 9pcy s SER 7 CO 0.00 -1.79 1.78 1.23 0.98 0.00 0.00 173.24 175.44 9pcy h GLY 8 N -0.68 1.20 -0.55 7.32 0.00 -1.97 0.92 103.07 109.31 9pcy h GLY 8 Ca -0.42 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.66 9pcy h GLY 8 CO 0.52 0.05 0.00 2.09 0.00 0.00 0.00 176.54 179.19 9pcy n ASP 9 N -4.84 0.66 -0.31 0.19 5.75 -1.26 -4.87 116.55 111.87 9pcy n ASP 9 Ca 0.13 -2.02 -0.04 0.00 -0.01 0.00 0.00 54.79 52.85 9pcy n ASP 9 Cb 0.32 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.37 0.69 3.76 6.12 0.00 0.32 -4.97 105.19 111.48 9pcy n GLY 10 Ca 0.02 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.66 7.05 -1.24 1.61 0.15 -1.26 -4.19 113.70 113.18 9pcy s SER 11 Ca 0.00 2.44 -0.15 0.00 0.70 0.00 0.00 55.95 58.94 9pcy s SER 11 Cb 0.00 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 9pcy s SER 11 CO 0.00 -0.31 2.24 0.18 1.20 0.00 0.00 173.24 176.55 9pcy n LEU 12 N 1.00 6.18 -4.08 3.45 4.77 -1.26 -0.87 117.00 126.19 9pcy n LEU 12 Ca -0.01 -3.71 -0.14 0.00 -0.03 0.00 0.00 56.01 52.13 9pcy n LEU 12 Cb 0.44 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 39.97 9pcy n LEU 12 CO 0.56 0.79 -0.41 0.68 -1.33 0.00 0.00 177.39 177.68 9pcy s VAL 13 N 3.58 0.63 -0.10 4.08 -7.23 -1.26 -3.77 120.40 116.33 9pcy s VAL 13 Ca 0.52 -1.13 -0.20 0.00 -1.81 0.00 0.00 61.98 59.36 9pcy s VAL 13 Cb 0.14 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 9pcy s VAL 13 CO -0.02 -0.37 0.58 -0.36 -0.31 0.00 0.00 175.10 174.62 9pcy s PHE 14 N -1.40 3.53 -0.27 2.82 0.40 -1.26 -0.36 117.98 121.43 9pcy s PHE 14 Ca -0.08 1.03 0.02 0.00 -0.60 0.00 0.00 56.93 57.30 9pcy s PHE 14 Cb -0.10 -2.67 0.07 0.00 0.51 0.00 0.00 43.02 40.83 9pcy s PHE 14 CO 0.01 0.11 -0.05 0.08 0.70 0.00 0.00 175.22 176.06 9pcy s VAL 15 N 0.80 1.91 0.78 -0.44 1.01 0.02 -1.76 120.40 122.72 9pcy s VAL 15 Ca 0.31 -1.61 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 9pcy s VAL 15 Cb -0.16 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 34.12 9pcy s VAL 15 CO 0.13 -0.19 1.08 -2.16 0.00 0.00 0.00 175.10 173.97 9pcy s PRO 16 N 1.19 2.22 -0.07 2.72 0.04 -1.26 -0.42 135.00 139.42 9pcy s PRO 16 Ca -0.03 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 9pcy s PRO 16 Cb -0.19 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 9pcy s PRO 16 CO -0.07 -1.62 -0.06 0.66 0.04 0.00 0.00 177.00 175.96 9pcy h SER 17 N -1.10 0.00 -3.43 6.66 4.64 -1.68 -3.46 113.55 115.18 9pcy h SER 17 Ca -0.45 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 9pcy h SER 17 Cb 1.24 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.17 9pcy h SER 17 CO 0.54 0.35 -0.55 -0.70 -0.87 0.00 0.00 176.83 175.60 9pcy s GLU 18 N -1.51 3.98 0.06 4.77 2.12 -1.26 -0.35 118.70 126.51 9pcy s GLU 18 Ca -0.05 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 54.95 9pcy s GLU 18 Cb 0.01 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.06 9pcy s GLU 18 CO 0.07 0.15 0.08 1.97 -0.54 0.00 0.00 175.26 177.00 9pcy n PHE 19 N 3.94 -0.69 -3.91 5.30 -1.74 -0.16 -4.94 117.46 115.27 9pcy n PHE 19 Ca -0.16 -0.36 -0.11 0.00 -0.56 0.00 0.00 57.45 56.27 9pcy n PHE 19 Cb 0.52 0.10 -0.12 0.00 1.52 0.00 0.00 39.48 41.50 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 -1.34 0.09 -0.12 5.98 0.01 -1.26 -0.41 113.70 116.65 9pcy s SER 20 Ca 0.04 -0.23 -0.10 0.00 1.31 0.00 0.00 55.95 56.97 9pcy s SER 20 Cb -0.00 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.39 9pcy s SER 20 CO 0.03 -0.23 0.32 0.54 0.41 0.00 0.00 173.24 174.31 9pcy s VAL 21 N -0.97 -0.01 0.33 3.43 0.11 0.11 -4.85 120.40 118.56 9pcy s VAL 21 Ca -0.11 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.68 9pcy s VAL 21 Cb -0.06 -0.46 -0.10 0.00 -1.53 0.00 0.00 36.38 34.23 9pcy s VAL 21 CO -0.00 0.01 1.32 -2.84 -3.33 0.00 0.00 175.10 170.26 9pcy s PRO 22 N 0.41 4.34 -0.02 1.54 0.02 -1.26 -0.97 135.00 139.06 9pcy s PRO 22 Ca -0.02 2.23 -0.38 0.00 0.02 0.00 0.00 61.00 62.85 9pcy s PRO 22 Cb -0.04 -3.07 -0.17 0.00 0.02 0.00 0.00 34.50 31.24 9pcy s PRO 22 CO -0.02 -0.21 1.39 0.43 -0.33 0.00 0.00 177.00 178.26 9pcy n SER 23 N 0.87 1.55 0.00 2.53 7.64 0.45 -1.26 113.62 125.41 9pcy n SER 23 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 9pcy n SER 23 Cb 0.42 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 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 2.77 3.18 3.55 0.23 0.00 0.08 -4.95 105.19 110.06 9pcy n GLY 24 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.46 2.92 -0.15 1.61 0.41 -0.39 -4.84 118.70 117.80 9pcy s GLU 25 Ca 0.00 -0.10 -0.42 0.00 -0.41 0.00 0.00 54.97 54.04 9pcy s GLU 25 Cb 0.00 -4.65 -0.19 0.00 -1.78 0.00 0.00 34.13 27.51 9pcy s GLU 25 CO 0.00 -2.64 1.30 0.36 -0.49 0.00 0.00 175.26 173.79 9pcy n LYS 26 N 9.12 0.20 -3.29 1.61 -0.00 -1.26 -4.56 118.16 119.97 9pcy n LYS 26 Ca 0.22 0.07 -0.38 0.00 -0.00 0.00 0.00 58.31 58.22 9pcy n LYS 26 Cb 0.50 -1.60 -0.06 0.00 -0.00 0.00 0.00 35.03 33.87 9pcy n LYS 26 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 9pcy s ILE 27 N 1.14 4.91 -0.20 0.58 1.01 0.58 -3.54 121.20 125.68 9pcy s ILE 27 Ca 0.95 1.14 -0.00 0.00 0.00 0.00 0.00 60.65 62.73 9pcy s ILE 27 Cb -1.29 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 37.32 9pcy s ILE 27 CO 0.64 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 175.21 9pcy s VAL 28 N -0.53 2.43 -0.37 2.92 1.01 0.07 -1.33 120.40 124.60 9pcy s VAL 28 Ca 0.29 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 9pcy s VAL 28 Cb -0.18 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.17 9pcy s VAL 28 CO 0.16 0.47 0.19 -0.36 0.00 0.00 0.00 175.10 175.56 9pcy s PHE 29 N 1.33 3.26 -0.18 5.22 0.08 0.55 -0.07 117.98 128.18 9pcy s PHE 29 Ca 0.04 -1.17 -0.06 0.00 0.12 0.00 0.00 56.93 55.86 9pcy s PHE 29 Cb -0.14 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 9pcy s PHE 29 CO -0.10 -0.70 0.04 0.21 -0.10 0.00 0.00 175.22 174.57 9pcy s LYS 30 N 1.49 3.88 -0.28 0.44 2.20 0.18 -0.61 119.74 127.06 9pcy s LYS 30 Ca 0.01 -0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 54.94 9pcy s LYS 30 Cb -0.20 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 9pcy s LYS 30 CO 0.05 0.24 1.91 -0.80 -0.36 0.00 0.00 175.35 176.39 9pcy s ASN 31 N 0.44 5.81 0.00 1.43 -0.87 0.21 -0.34 114.94 121.62 9pcy s ASN 31 Ca 0.01 1.54 0.00 0.00 -1.57 0.00 0.00 52.86 52.84 9pcy s ASN 31 Cb -0.13 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 9pcy s ASN 31 CO 0.01 -1.73 0.00 -3.20 -2.57 0.00 0.00 177.10 169.61 9pcy n ASN 32 N 10.50 0.00 0.06 -1.22 5.15 -0.33 -0.26 115.26 129.17 9pcy n ASN 32 Ca 0.25 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 9pcy n ASN 32 Cb 0.46 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 9pcy n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 9pcy n ALA 33 N -1.82 2.06 0.20 5.20 0.00 -1.23 -4.55 120.51 120.37 9pcy n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 9pcy n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 9pcy n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9pcy n GLY 34 N 0.56 1.16 3.77 0.00 0.00 -1.26 -4.87 105.19 104.56 9pcy n GLY 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.72 2.62 0.61 1.61 -0.12 -1.26 -4.73 117.98 117.42 9pcy s PHE 35 Ca 0.00 1.13 -0.19 0.00 -0.05 0.00 0.00 56.93 57.82 9pcy s PHE 35 Cb 0.00 -3.17 -0.03 0.00 -0.63 0.00 0.00 43.02 39.19 9pcy s PHE 35 CO 0.00 -2.06 1.27 -2.14 -0.05 0.00 0.00 175.22 172.24 9pcy s PRO 36 N -5.10 2.81 0.26 1.99 0.02 -1.26 -5.01 135.00 128.70 9pcy s PRO 36 Ca 0.62 2.00 -0.05 0.00 0.02 0.00 0.00 61.00 63.59 9pcy s PRO 36 Cb -0.16 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 9pcy s PRO 36 CO 0.55 -1.38 0.34 -1.01 -0.33 0.00 0.00 177.00 175.17 9pcy s HIS 37 N -1.45 0.90 0.14 6.54 3.76 -0.15 -4.91 115.29 120.12 9pcy s HIS 37 Ca 0.79 -1.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.30 9pcy s HIS 37 Cb -0.35 -0.20 0.08 0.00 1.11 0.00 0.00 32.58 33.22 9pcy s HIS 37 CO 0.38 -0.89 1.07 0.54 -0.85 0.00 0.00 174.74 174.99 9pcy s ASN 38 N -3.14 -0.04 -0.12 1.40 4.22 -1.26 0.17 114.94 116.16 9pcy s ASN 38 Ca 0.31 -0.51 -0.03 0.00 -2.14 0.00 0.00 52.86 50.49 9pcy s ASN 38 Cb 0.02 0.43 0.05 0.00 1.28 0.00 0.00 41.25 43.03 9pcy s ASN 38 CO 0.14 -0.84 0.05 -0.69 -2.04 0.00 0.00 177.10 173.73 9pcy s VAL 39 N -2.45 0.12 -0.05 3.54 1.01 -1.26 -4.19 120.40 117.11 9pcy s VAL 39 Ca 0.19 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.21 9pcy s VAL 39 Cb -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 9pcy s VAL 39 CO 0.03 -0.04 -0.24 -0.69 0.00 0.00 0.00 175.10 174.16 9pcy s VAL 40 N 2.06 2.15 -0.00 2.92 1.01 0.13 -0.56 120.40 128.10 9pcy s VAL 40 Ca 0.03 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 9pcy s VAL 40 Cb -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 9pcy s VAL 40 CO -0.06 0.57 0.58 -0.36 0.00 0.00 0.00 175.10 175.83 9pcy s PHE 41 N -0.23 3.69 -0.69 5.22 0.08 -1.26 -0.39 117.98 124.40 9pcy s PHE 41 Ca -0.01 1.18 -0.27 0.00 0.12 0.00 0.00 56.93 57.95 9pcy s PHE 41 Cb -0.13 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 9pcy s PHE 41 CO 0.03 0.38 1.58 0.34 -0.10 0.00 0.00 175.22 177.45 9pcy s ASP 42 N -0.29 5.72 0.46 1.36 2.15 0.28 -4.88 116.67 121.47 9pcy s ASP 42 Ca 0.30 -0.11 0.31 0.00 0.43 0.00 0.00 52.55 53.49 9pcy s ASP 42 Cb -0.18 -2.55 1.42 0.00 -0.30 0.00 0.00 42.92 41.31 9pcy s ASP 42 CO 0.17 -2.11 1.68 1.05 -0.17 0.00 0.00 175.17 175.78 9pcy h GLU 43 N 12.41 0.12 0.00 4.34 -0.00 -1.95 0.14 114.58 129.65 9pcy h GLU 43 Ca -0.25 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.06 9pcy h GLU 43 Cb 1.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.82 9pcy h GLU 43 CO 1.25 0.08 -0.19 0.22 -0.00 0.00 0.00 179.01 180.37 9pcy h ASP 44 N 0.12 0.00 -2.35 3.06 3.58 -1.97 -3.36 116.42 115.51 9pcy h ASP 44 Ca 0.75 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 57.61 9pcy h ASP 44 Cb 2.46 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 43.12 9pcy h ASP 44 CO -0.27 0.19 -0.92 1.21 -2.88 0.00 0.00 179.24 176.57 9pcy n GLU 45 N -3.67 0.78 -3.67 0.28 0.00 0.50 -5.06 120.64 109.81 9pcy n GLU 45 Ca -0.01 -3.51 -0.15 0.00 0.00 0.00 0.00 57.16 53.49 9pcy n GLU 45 Cb 0.32 -1.68 -0.08 0.00 0.00 0.00 0.00 31.44 30.00 9pcy n GLU 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 9pcy s ILE 46 N -0.75 0.03 0.19 6.31 -4.36 -1.24 -0.93 121.20 120.46 9pcy s ILE 46 Ca 0.33 -0.29 -0.31 0.00 -0.26 0.00 0.00 60.65 60.12 9pcy s ILE 46 Cb 0.08 -0.76 -0.10 0.00 1.25 0.00 0.00 42.46 42.92 9pcy s ILE 46 CO -0.15 -0.16 1.53 -2.16 0.24 0.00 0.00 174.94 174.24 9pcy s PRO 47 N -1.27 4.23 0.40 0.37 0.04 -1.26 -4.93 135.00 132.59 9pcy s PRO 47 Ca -0.13 2.35 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 9pcy s PRO 47 Cb -0.03 -3.14 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 9pcy s PRO 47 CO 0.06 -0.55 0.97 0.00 0.04 0.00 0.00 177.00 177.53 9pcy n ALA 48 N 3.42 -0.03 0.00 8.56 0.00 -1.26 -2.93 120.51 128.27 9pcy n ALA 48 Ca 0.11 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.81 9pcy n ALA 48 Cb 0.39 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 1.24 3.10 3.56 0.00 0.00 -1.26 -5.00 105.19 106.82 9pcy n GLY 49 Ca 0.10 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.64 3.82 -0.10 1.61 1.01 -1.15 -4.95 120.40 120.00 9pcy s VAL 50 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 61.98 61.28 9pcy s VAL 50 Cb 0.00 -4.94 -0.11 0.00 0.00 0.00 0.00 36.38 31.33 9pcy s VAL 50 CO 0.00 -1.84 1.95 -0.67 0.00 0.00 0.00 175.10 174.53 9pcy n ASP 51 N 9.38 3.45 -0.30 3.32 2.03 -1.26 -4.86 116.55 128.31 9pcy n ASP 51 Ca 0.24 0.86 0.11 0.00 0.52 0.00 0.00 54.79 56.52 9pcy n ASP 51 Cb 0.50 -1.40 0.24 0.00 -0.72 0.00 0.00 41.12 39.74 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 10.10 1.07 -0.40 -1.67 0.00 -1.92 0.13 119.26 126.57 9pcy h ALA 52 Ca -0.47 0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.80 9pcy h ALA 52 Cb 1.27 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 9pcy h ALA 52 CO 0.95 -0.48 0.28 0.28 0.00 0.00 0.00 179.25 180.28 9pcy h VAL 53 N 0.11 0.86 -0.01 0.00 2.07 -1.91 0.18 116.25 117.54 9pcy h VAL 53 Ca 0.52 -0.04 -0.26 0.00 0.82 0.00 0.00 66.70 67.74 9pcy h VAL 53 Cb 1.01 0.73 0.02 0.00 -1.52 0.00 0.00 31.29 31.52 9pcy h VAL 53 CO -0.74 0.02 -1.01 0.11 0.02 0.00 0.00 177.57 175.97 9pcy h LYS 54 N 0.12 0.68 0.00 1.57 1.57 -1.10 -3.30 116.57 116.11 9pcy h LYS 54 Ca 0.19 -0.72 -0.18 0.00 -1.87 0.00 0.00 60.65 58.07 9pcy h LYS 54 Cb 0.59 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 9pcy h LYS 54 CO -0.02 1.30 -0.91 -0.84 -0.57 0.00 0.00 179.45 178.40 9pcy h ILE 55 N 0.39 1.34 -3.93 1.86 3.07 -1.32 -3.47 117.51 115.45 9pcy h ILE 55 Ca -0.12 -2.94 -0.49 0.00 1.55 0.00 0.00 64.86 62.86 9pcy h ILE 55 Cb 1.66 2.65 0.02 0.00 -0.27 0.00 0.00 36.82 40.88 9pcy h ILE 55 CO 0.20 0.76 0.42 -0.44 -1.05 0.00 0.00 178.15 178.05 9pcy s SER 56 N -6.55 6.84 0.09 2.16 0.01 0.56 -4.88 113.70 111.93 9pcy s SER 56 Ca 0.01 2.09 -0.31 0.00 1.31 0.00 0.00 55.95 59.05 9pcy s SER 56 Cb 0.09 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.64 9pcy s SER 56 CO 0.80 -0.44 1.58 -0.32 0.41 0.00 0.00 173.24 175.27 9pcy s MET 57 N -2.30 4.22 -0.68 12.44 1.75 0.28 -4.78 119.30 130.24 9pcy s MET 57 Ca 0.55 2.27 -0.20 0.00 -1.25 0.00 0.00 55.69 57.07 9pcy s MET 57 Cb -0.24 -3.44 -0.15 0.00 2.84 0.00 0.00 34.83 33.83 9pcy s MET 57 CO 0.30 -0.65 1.80 -2.30 -0.65 0.00 0.00 175.02 173.52 9pcy n PRO 58 N 4.98 0.00 -0.05 4.11 -0.02 -1.26 -4.73 135.00 138.03 9pcy n PRO 58 Ca 0.15 0.00 0.25 0.00 -2.02 0.00 0.00 63.50 61.87 9pcy n PRO 58 Cb 0.40 -0.99 0.71 0.00 -0.02 0.00 0.00 33.50 33.60 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 8.08 0.00 -0.06 -0.52 3.07 -1.95 0.54 114.58 123.73 9pcy h GLU 59 Ca -0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 9pcy h GLU 59 Cb 0.88 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 9pcy h GLU 59 CO 0.95 0.00 -0.12 1.49 -1.40 0.00 0.00 179.01 179.93 9pcy h GLU 60 N 0.00 0.09 -6.28 2.33 4.22 -2.02 -3.43 114.58 109.49 9pcy h GLU 60 Ca 0.32 -0.02 -0.48 0.00 0.08 0.00 0.00 59.36 59.26 9pcy h GLU 60 Cb 1.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 9pcy h GLU 60 CO -0.00 0.22 -0.30 -1.21 -2.18 0.00 0.00 179.01 175.54 9pcy s GLU 61 N -4.75 2.55 -0.08 1.92 2.02 0.18 -5.15 118.70 115.39 9pcy s GLU 61 Ca -0.05 -1.53 -0.16 0.00 0.02 0.00 0.00 54.97 53.25 9pcy s GLU 61 Cb 0.16 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.94 9pcy s GLU 61 CO 0.71 -0.35 0.39 -0.51 0.02 0.00 0.00 175.26 175.52 9pcy s LEU 62 N -4.27 0.52 -0.79 1.80 1.43 -1.26 -4.88 118.68 111.22 9pcy s LEU 62 Ca 0.50 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 9pcy s LEU 62 Cb -0.05 1.46 0.06 0.00 0.03 0.00 0.00 46.19 47.69 9pcy s LEU 62 CO 0.30 -0.34 1.19 -0.76 0.23 0.00 0.00 176.35 176.97 9pcy s LEU 63 N -0.67 3.88 -0.46 1.79 1.43 0.13 -4.88 118.68 119.90 9pcy s LEU 63 Ca -0.08 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.02 9pcy s LEU 63 Cb -0.04 -2.49 0.54 0.00 0.03 0.00 0.00 46.19 44.23 9pcy s LEU 63 CO 0.03 -1.54 1.76 -0.46 0.23 0.00 0.00 176.35 176.37 9pcy n ASN 64 N 8.36 4.71 -3.71 2.29 6.94 -1.26 -0.98 115.26 131.61 9pcy n ASN 64 Ca 0.10 -3.73 -0.11 0.00 -0.02 0.00 0.00 54.58 50.81 9pcy n ASN 64 Cb 0.48 -0.77 -0.06 0.00 -2.36 0.00 0.00 39.78 37.07 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 -3.48 -0.79 0.81 -2.53 0.00 -1.26 -4.87 121.76 109.64 9pcy s ALA 65 Ca 0.56 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 9pcy s ALA 65 Cb 0.46 0.43 0.08 0.00 0.00 0.00 0.00 23.12 24.09 9pcy s ALA 65 CO 0.04 -0.49 1.09 -1.25 0.00 0.00 0.00 175.76 175.15 9pcy s PRO 66 N -2.94 1.99 0.00 0.00 0.04 -1.26 -4.05 135.00 128.78 9pcy s PRO 66 Ca -0.02 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.82 9pcy s PRO 66 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 9pcy s PRO 66 CO -0.06 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.66 9pcy n GLY 67 N -1.69 1.12 3.37 0.56 0.00 0.64 -4.93 105.19 104.27 9pcy n GLY 67 Ca 0.07 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.49 9pcy n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 9pcy n GLU 68 N 0.00 0.00 -4.46 1.61 -0.58 -1.26 -4.11 120.64 111.85 9pcy n GLU 68 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 9pcy n GLU 68 Cb 0.00 -1.37 -0.11 0.00 -0.57 0.00 0.00 31.44 29.38 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 1.98 3.90 -0.03 2.62 -4.23 -1.26 -0.62 115.64 118.00 9pcy s THR 69 Ca 0.93 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 9pcy s THR 69 Cb -1.32 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 9pcy s THR 69 CO 0.69 0.54 0.00 -0.47 -0.54 0.00 0.00 174.62 174.84 9pcy s TYR 70 N -0.13 3.10 -0.01 3.99 5.04 0.23 -4.95 117.35 124.61 9pcy s TYR 70 Ca 0.03 0.11 0.05 0.00 -2.44 0.00 0.00 57.07 54.82 9pcy s TYR 70 Cb -0.13 -1.71 -0.01 0.00 0.35 0.00 0.00 41.96 40.46 9pcy s TYR 70 CO 0.02 0.46 -0.15 0.08 -1.34 0.00 0.00 175.55 174.63 9pcy s VAL 71 N -1.02 1.17 -0.04 3.14 1.01 -1.26 -0.33 120.40 123.07 9pcy s VAL 71 Ca 0.18 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 9pcy s VAL 71 Cb -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.30 9pcy s VAL 71 CO 0.08 0.33 0.20 0.54 0.00 0.00 0.00 175.10 176.24 9pcy s VAL 72 N -0.36 0.04 -0.33 2.92 0.11 -0.44 -5.00 120.40 117.34 9pcy s VAL 72 Ca 0.06 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 9pcy s VAL 72 Cb -0.06 -0.39 0.07 0.00 -1.53 0.00 0.00 36.38 34.47 9pcy s VAL 72 CO -0.01 -0.17 0.04 -0.89 -3.33 0.00 0.00 175.10 170.75 9pcy s THR 73 N -0.62 2.93 -0.16 5.04 2.01 -1.26 -0.31 115.64 123.27 9pcy s THR 73 Ca -0.07 -1.66 -0.15 0.00 0.31 0.00 0.00 61.69 60.12 9pcy s THR 73 Cb -0.04 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 9pcy s THR 73 CO 0.01 -0.29 0.34 -0.76 -0.69 0.00 0.00 174.62 173.24 9pcy s LEU 74 N 1.18 4.23 -0.08 4.42 1.43 -1.26 -4.93 118.68 123.67 9pcy s LEU 74 Ca -0.01 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 9pcy s LEU 74 Cb -0.20 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 9pcy s LEU 74 CO -0.03 0.05 -0.10 0.47 0.23 0.00 0.00 176.35 176.97 9pcy n ASP 75 N 3.76 1.57 -4.65 2.29 8.00 -1.26 -0.74 116.55 125.51 9pcy n ASP 75 Ca -0.10 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 9pcy n ASP 75 Cb 0.52 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 9pcy n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 9pcy s THR 76 N -2.16 3.51 0.68 -3.53 2.01 -1.26 -4.67 115.64 110.21 9pcy s THR 76 Ca -0.12 0.61 -0.16 0.00 0.31 0.00 0.00 61.69 62.33 9pcy s THR 76 Cb 0.04 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.14 9pcy s THR 76 CO 0.16 -0.08 1.21 -0.54 -0.69 0.00 0.00 174.62 174.68 9pcy s LYS 77 N 4.26 2.49 0.00 4.92 1.02 -1.26 -4.83 119.74 126.33 9pcy s LYS 77 Ca 0.76 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.52 9pcy s LYS 77 Cb -0.33 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 9pcy s LYS 77 CO 0.31 -1.57 0.00 0.41 -0.92 0.00 0.00 175.35 173.58 9pcy n GLY 78 N 0.38 0.54 3.16 -3.33 0.00 0.00 -4.84 105.19 101.10 9pcy n GLY 78 Ca 0.13 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.22 1.68 -0.15 2.61 2.01 -1.26 -0.02 115.64 117.30 9pcy s THR 79 Ca 0.00 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.18 9pcy s THR 79 Cb 0.00 -1.46 0.02 0.00 0.01 0.00 0.00 72.50 71.08 9pcy s THR 79 CO 0.00 0.48 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.96 9pcy s TYR 80 N 0.25 2.10 0.12 4.92 1.51 0.24 -3.85 117.35 122.63 9pcy s TYR 80 Ca -0.11 -1.18 -0.13 0.00 -1.01 0.00 0.00 57.07 54.64 9pcy s TYR 80 Cb -0.15 -1.56 -0.07 0.00 -0.11 0.00 0.00 41.96 40.08 9pcy s TYR 80 CO 0.05 -0.66 0.50 -1.12 -1.11 0.00 0.00 175.55 173.22 9pcy s SER 81 N 1.51 6.77 0.12 2.29 0.01 -0.10 -0.56 113.70 123.74 9pcy s SER 81 Ca 0.05 0.99 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 9pcy s SER 81 Cb -0.13 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 9pcy s SER 81 CO -0.10 0.13 0.07 0.72 0.41 0.00 0.00 173.24 174.47 9pcy s PHE 82 N -1.44 0.71 0.11 2.43 -0.12 0.16 -0.55 117.98 119.29 9pcy s PHE 82 Ca 0.36 -1.12 -0.13 0.00 -0.05 0.00 0.00 56.93 55.99 9pcy s PHE 82 Cb -0.15 -0.39 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 9pcy s PHE 82 CO 0.19 -0.52 0.31 1.52 -0.05 0.00 0.00 175.22 176.67 9pcy s TYR 83 N -4.01 -0.04 -0.46 3.49 1.13 0.48 -0.85 117.35 117.09 9pcy s TYR 83 Ca 0.19 -0.33 -0.16 0.00 -1.41 0.00 0.00 57.07 55.37 9pcy s TYR 83 Cb 0.07 0.12 0.06 0.00 -1.10 0.00 0.00 41.96 41.11 9pcy s TYR 83 CO -0.01 -0.64 0.40 0.00 -2.51 0.00 0.00 175.55 172.79 9pcy n SER 85 N 5.29 -1.00 0.00 0.00 7.64 -1.26 -0.19 113.62 124.11 9pcy n SER 85 Ca -0.12 1.67 0.09 0.00 1.01 0.00 0.00 58.87 61.53 9pcy n SER 85 Cb 0.44 -0.22 0.52 0.00 -1.01 0.00 0.00 64.21 63.95 9pcy n SER 85 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 9pcy n PRO 86 N -5.17 0.45 0.00 1.43 -0.04 -1.26 -3.49 135.00 126.92 9pcy n PRO 86 Ca 0.02 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 9pcy n PRO 86 Cb 0.24 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.13 0.00 -0.29 0.54 8.25 0.30 -4.82 115.22 118.08 9pcy n HIS 87 Ca 0.12 -0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.57 9pcy n HIS 87 Cb 0.10 -0.01 0.21 0.00 1.12 0.00 0.00 29.99 31.41 9pcy n HIS 87 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 9pcy h GLN 88 N 0.00 0.61 -0.13 -0.41 3.07 -0.61 0.14 115.11 117.78 9pcy h GLN 88 Ca 0.00 -0.04 0.04 0.00 0.09 0.00 0.00 58.65 58.74 9pcy h GLN 88 Cb 0.52 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 9pcy h GLN 88 CO 0.00 0.40 0.10 0.78 0.09 0.00 0.00 178.83 180.21 9pcy h GLY 89 N 0.63 0.00 -1.65 0.06 0.00 -1.86 0.84 103.07 101.08 9pcy h GLY 89 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 9pcy h GLY 89 CO -0.34 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.20 9pcy n ALA 90 N -2.50 2.59 -0.85 3.60 0.00 0.38 -4.90 120.51 118.84 9pcy n ALA 90 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 9pcy n ALA 90 Cb 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.98 0.54 3.57 0.00 0.00 0.29 -4.97 105.19 105.61 9pcy n GLY 91 Ca 0.14 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.85 2.83 -4.38 1.61 0.00 -0.62 -4.86 117.12 108.85 9pcy n MET 92 Ca 0.00 -3.08 -0.19 0.00 -0.00 0.00 0.00 57.70 54.43 9pcy n MET 92 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 33.22 29.57 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 5.76 0.87 0.20 1.12 -7.23 -1.26 -1.35 120.40 118.51 9pcy s VAL 93 Ca 0.57 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 9pcy s VAL 93 Cb 0.03 -2.69 0.08 0.00 0.56 0.00 0.00 36.38 34.36 9pcy s VAL 93 CO 0.09 -0.03 1.03 -0.83 -0.31 0.00 0.00 175.10 175.06 9pcy s GLY 94 N -3.39 0.16 -0.00 2.32 0.00 -0.03 -4.41 107.32 101.97 9pcy s GLY 94 Ca 0.37 -0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.55 9pcy s GLY 94 CO 0.14 2.60 0.26 0.54 0.00 0.00 0.00 173.10 176.64 9pcy s LYS 95 N -2.08 0.64 -0.03 2.90 1.02 0.53 -0.66 119.74 122.04 9pcy s LYS 95 Ca 0.23 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.94 9pcy s LYS 95 Cb -0.03 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 9pcy s LYS 95 CO 0.06 -0.17 -0.04 0.54 -0.92 0.00 0.00 175.35 174.82 9pcy s VAL 96 N -1.47 0.44 -0.54 3.17 0.11 0.28 -0.99 120.40 121.39 9pcy s VAL 96 Ca -0.13 -0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 58.66 9pcy s VAL 96 Cb -0.05 -0.47 0.11 0.00 -1.53 0.00 0.00 36.38 34.44 9pcy s VAL 96 CO 0.03 0.19 0.55 -0.89 -3.33 0.00 0.00 175.10 171.65 9pcy s THR 97 N 0.78 5.09 -0.36 5.04 2.01 0.45 -0.60 115.64 128.06 9pcy s THR 97 Ca -0.10 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.35 9pcy s THR 97 Cb -0.13 -4.36 0.02 0.00 0.01 0.00 0.00 72.50 68.05 9pcy s THR 97 CO -0.00 -0.90 1.09 -0.69 -0.69 0.00 0.00 174.62 173.43 9pcy s VAL 98 N 1.96 4.43 0.00 3.82 1.01 0.98 -0.71 120.40 131.88 9pcy s VAL 98 Ca 0.06 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.65 9pcy s VAL 98 Cb -0.27 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.65 9pcy s VAL 98 CO 0.05 -0.61 0.01 -0.46 0.00 0.00 0.00 175.10 174.09