#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6pcy s ASP 2 N 0.00 5.85 -0.11 9.51 -0.00 -1.26 -0.51 116.67 130.15 6pcy s ASP 2 Ca 0.00 0.27 0.02 0.00 -0.00 0.00 0.00 52.55 52.84 6pcy s ASP 2 Cb 0.00 -1.86 0.01 0.00 -0.00 0.00 0.00 42.92 41.07 6pcy s ASP 2 CO 0.00 0.34 -0.18 -0.69 -0.00 0.00 0.00 175.17 174.63 6pcy s VAL 3 N -0.60 1.72 0.21 -1.27 1.01 0.60 -4.52 120.40 117.55 6pcy s VAL 3 Ca 0.11 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 6pcy s VAL 3 Cb -0.12 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 6pcy s VAL 3 CO 0.02 0.48 0.86 -0.76 0.00 0.00 0.00 175.10 175.71 6pcy s LEU 4 N 0.84 4.60 -0.51 3.92 1.43 0.84 -0.31 118.68 129.48 6pcy s LEU 4 Ca -0.09 1.80 -0.19 0.00 -1.03 0.00 0.00 54.13 54.62 6pcy s LEU 4 Cb -0.15 -3.50 0.06 0.00 0.03 0.00 0.00 46.19 42.63 6pcy s LEU 4 CO -0.00 0.16 0.61 -0.76 0.23 0.00 0.00 176.35 176.59 6pcy s LEU 5 N -1.25 5.08 0.00 1.79 1.43 -0.32 -1.29 118.68 124.12 6pcy s LEU 5 Ca 0.39 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 6pcy s LEU 5 Cb -0.24 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.58 6pcy s LEU 5 CO 0.29 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.59 6pcy n GLY 6 N 5.19 0.37 3.84 -3.19 0.00 -0.31 -1.00 105.19 110.09 6pcy n GLY 6 Ca -0.07 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 6pcy n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6pcy s ALA 7 N -0.24 2.46 -1.07 4.61 0.00 -0.04 -4.10 121.76 123.38 6pcy s ALA 7 Ca 0.00 -0.31 0.12 0.00 0.00 0.00 0.00 51.96 51.77 6pcy s ALA 7 Cb 0.00 -3.06 0.54 0.00 0.00 0.00 0.00 23.12 20.60 6pcy s ALA 7 CO 0.00 -1.57 1.38 -0.25 0.00 0.00 0.00 175.76 175.32 6pcy n ASP 8 N -3.31 0.00 -1.02 0.00 8.00 -1.26 -0.93 116.55 118.04 6pcy n ASP 8 Ca 0.07 0.44 0.08 0.00 0.71 0.00 0.00 54.79 56.09 6pcy n ASP 8 Cb 0.57 -0.46 0.24 0.00 -0.02 0.00 0.00 41.12 41.45 6pcy n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 6pcy n ASP 9 N -1.46 3.58 0.00 -2.24 5.75 -1.26 -4.94 116.55 115.98 6pcy n ASP 9 Ca 0.03 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 6pcy n ASP 9 Cb 0.14 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 6pcy n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 6pcy n GLY 10 N 0.90 0.50 3.75 6.12 0.00 -0.10 -5.05 105.19 111.31 6pcy n GLY 10 Ca 0.18 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 6pcy n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 6pcy s SER 11 N -2.07 5.06 -1.20 1.61 0.01 -1.25 -4.72 113.70 111.14 6pcy s SER 11 Ca 0.00 2.50 -0.12 0.00 1.31 0.00 0.00 55.95 59.65 6pcy s SER 11 Cb 0.00 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 63.82 6pcy s SER 11 CO 0.00 -1.69 1.46 0.18 0.41 0.00 0.00 173.24 173.60 6pcy n LEU 12 N -1.57 5.59 -3.96 2.44 4.77 -1.26 -0.86 117.00 122.15 6pcy n LEU 12 Ca 0.14 -4.64 -0.09 0.00 -0.03 0.00 0.00 56.01 51.39 6pcy n LEU 12 Cb 0.49 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 6pcy n LEU 12 CO 0.46 1.00 -0.24 0.00 -1.33 0.00 0.00 177.39 177.28 6pcy s ALA 13 N 0.60 0.06 0.13 -1.18 0.00 -1.26 -3.74 121.76 116.38 6pcy s ALA 13 Ca 0.40 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 6pcy s ALA 13 Cb -0.02 0.28 -0.07 0.00 0.00 0.00 0.00 23.12 23.31 6pcy s ALA 13 CO -0.01 -0.34 1.16 -0.06 0.00 0.00 0.00 175.76 176.51 6pcy s PHE 14 N -2.99 3.49 -0.21 0.00 0.08 -1.26 -1.16 117.98 115.92 6pcy s PHE 14 Ca -0.02 1.44 0.01 0.00 0.12 0.00 0.00 56.93 58.48 6pcy s PHE 14 Cb 0.01 -3.37 0.05 0.00 -0.57 0.00 0.00 43.02 39.14 6pcy s PHE 14 CO -0.06 -1.02 -0.09 0.08 -0.10 0.00 0.00 175.22 174.03 6pcy s VAL 15 N 0.34 1.63 0.92 -0.44 1.01 -0.41 -2.74 120.40 120.70 6pcy s VAL 15 Ca 0.54 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 6pcy s VAL 15 Cb -0.30 -1.77 0.14 0.00 0.00 0.00 0.00 36.38 34.45 6pcy s VAL 15 CO 0.33 0.07 1.09 -2.16 0.00 0.00 0.00 175.10 174.44 6pcy s PRO 16 N 1.38 1.08 -0.01 2.72 0.04 -1.26 -0.12 135.00 138.83 6pcy s PRO 16 Ca -0.03 0.70 0.12 0.00 0.04 0.00 0.00 61.00 61.83 6pcy s PRO 16 Cb -0.17 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.40 6pcy s PRO 16 CO -0.07 -2.33 0.31 -1.13 0.04 0.00 0.00 177.00 173.82 6pcy n SER 17 N -3.93 1.91 -3.86 6.66 3.41 -1.11 -4.82 113.62 111.89 6pcy n SER 17 Ca 0.06 -0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.29 6pcy n SER 17 Cb 0.56 1.43 -0.17 0.00 -0.26 0.00 0.00 64.21 65.77 6pcy n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 6pcy s GLU 18 N -2.68 0.94 0.20 4.33 2.02 -1.26 -0.53 118.70 121.72 6pcy s GLU 18 Ca -0.03 -0.07 -0.20 0.00 0.02 0.00 0.00 54.97 54.69 6pcy s GLU 18 Cb 0.08 -1.07 0.04 0.00 0.10 0.00 0.00 34.13 33.28 6pcy s GLU 18 CO 0.49 -0.19 0.60 -0.59 0.02 0.00 0.00 175.26 175.59 6pcy s PHE 19 N 1.45 -0.29 0.09 1.61 -0.12 -1.12 -5.02 117.98 114.58 6pcy s PHE 19 Ca -0.02 -0.03 0.10 0.00 -0.05 0.00 0.00 56.93 56.92 6pcy s PHE 19 Cb -0.13 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 6pcy s PHE 19 CO -0.03 -0.97 -0.25 -1.12 -0.05 0.00 0.00 175.22 172.80 6pcy s SER 20 N -2.84 3.06 0.13 1.98 0.01 -1.26 -1.78 113.70 113.01 6pcy s SER 20 Ca 0.07 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.65 6pcy s SER 20 Cb -0.02 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 6pcy s SER 20 CO -0.04 0.18 0.04 0.27 0.41 0.00 0.00 173.24 174.10 6pcy s ILE 21 N -0.97 0.20 0.40 1.44 -4.36 -0.19 -4.96 121.20 112.76 6pcy s ILE 21 Ca 0.11 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.55 6pcy s ILE 21 Cb -0.10 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 6pcy s ILE 21 CO 0.04 -0.50 0.67 -0.44 0.24 0.00 0.00 174.94 174.96 6pcy s SER 22 N -3.06 6.32 0.30 4.36 0.01 -1.26 -1.69 113.70 118.69 6pcy s SER 22 Ca 0.23 0.76 -0.30 0.00 1.31 0.00 0.00 55.95 57.96 6pcy s SER 22 Cb 0.07 -2.17 -0.11 0.00 0.21 0.00 0.00 66.02 64.02 6pcy s SER 22 CO 0.01 -0.41 1.53 -2.84 0.41 0.00 0.00 173.24 171.94 6pcy s PRO 23 N -4.35 4.16 0.00 12.44 0.02 -1.26 -1.80 135.00 144.21 6pcy s PRO 23 Ca 0.45 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.97 6pcy s PRO 23 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 6pcy s PRO 23 CO 0.39 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 6pcy n GLY 24 N 1.77 1.09 3.77 0.52 0.00 0.23 -4.97 105.19 107.59 6pcy n GLY 24 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 6pcy n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 6pcy s GLU 25 N -0.10 4.17 0.15 1.61 2.12 -0.75 -4.82 118.70 121.09 6pcy s GLU 25 Ca 0.00 1.88 -0.22 0.00 0.36 0.00 0.00 54.97 57.00 6pcy s GLU 25 Cb 0.00 -2.79 -0.08 0.00 0.26 0.00 0.00 34.13 31.52 6pcy s GLU 25 CO 0.00 -0.23 0.69 0.21 -0.54 0.00 0.00 175.26 175.38 6pcy s LYS 26 N -2.12 4.35 -0.19 4.30 2.20 -1.26 -3.86 119.74 123.16 6pcy s LYS 26 Ca 0.54 0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 57.04 6pcy s LYS 26 Cb -0.32 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 6pcy s LYS 26 CO 0.41 0.55 -0.03 0.42 -0.36 0.00 0.00 175.35 176.34 6pcy s ILE 27 N -1.23 3.74 -0.29 5.43 1.01 0.24 -0.24 121.20 129.86 6pcy s ILE 27 Ca 0.35 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 6pcy s ILE 27 Cb -0.20 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.61 6pcy s ILE 27 CO 0.22 0.45 0.06 -0.69 0.00 0.00 0.00 174.94 174.99 6pcy s VAL 28 N 0.90 3.81 -0.20 2.92 1.01 0.34 -1.18 120.40 128.00 6pcy s VAL 28 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 6pcy s VAL 28 Cb -0.14 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 6pcy s VAL 28 CO 0.01 0.08 0.49 -0.36 0.00 0.00 0.00 175.10 175.32 6pcy s PHE 29 N 1.47 3.37 -0.06 5.22 0.40 0.34 -0.29 117.98 128.43 6pcy s PHE 29 Ca 0.02 0.73 0.04 0.00 -0.60 0.00 0.00 56.93 57.13 6pcy s PHE 29 Cb -0.17 -2.63 -0.00 0.00 0.51 0.00 0.00 43.02 40.72 6pcy s PHE 29 CO 0.02 -0.08 -0.20 -1.59 0.70 0.00 0.00 175.22 174.07 6pcy s LYS 30 N 1.56 2.16 -0.10 0.44 -2.85 0.58 -1.21 119.74 120.31 6pcy s LYS 30 Ca 0.23 -0.70 -0.29 0.00 -1.00 0.00 0.00 55.97 54.21 6pcy s LYS 30 Cb -0.15 -1.80 -0.07 0.00 -2.06 0.00 0.00 37.83 33.75 6pcy s LYS 30 CO 0.09 0.24 2.10 1.21 0.10 0.00 0.00 175.35 179.09 6pcy s ASN 31 N 0.11 5.93 -0.02 0.03 2.47 0.31 -1.17 114.94 122.60 6pcy s ASN 31 Ca -0.07 2.26 -0.06 0.00 0.42 0.00 0.00 52.86 55.40 6pcy s ASN 31 Cb -0.14 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.12 6pcy s ASN 31 CO 0.04 -1.53 -0.13 -3.20 -3.72 0.00 0.00 177.10 168.56 6pcy n ASN 32 N 9.71 1.28 -3.59 -4.21 5.15 -0.17 -0.80 115.26 122.64 6pcy n ASN 32 Ca 0.25 0.19 -0.17 0.00 -0.60 0.00 0.00 54.58 54.26 6pcy n ASN 32 Cb 0.43 -0.45 -0.07 0.00 -0.53 0.00 0.00 39.78 39.17 6pcy n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 6pcy s ALA 33 N -2.30 -1.51 -0.99 5.20 0.00 -0.59 -4.88 121.76 116.69 6pcy s ALA 33 Ca -0.11 1.07 0.00 0.00 0.00 0.00 0.00 51.96 52.92 6pcy s ALA 33 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.14 6pcy s ALA 33 CO 0.16 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.99 6pcy n GLY 34 N 1.05 -0.11 3.72 0.00 0.00 -1.26 -3.83 105.19 104.75 6pcy n GLY 34 Ca -0.20 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 6pcy n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 6pcy s PHE 35 N -2.58 2.25 0.75 1.61 -0.12 -1.26 -4.77 117.98 113.86 6pcy s PHE 35 Ca 0.00 0.93 -0.11 0.00 -0.05 0.00 0.00 56.93 57.70 6pcy s PHE 35 Cb 0.00 -3.31 0.04 0.00 -0.63 0.00 0.00 43.02 39.12 6pcy s PHE 35 CO 0.00 -2.72 1.08 -1.25 -0.05 0.00 0.00 175.22 172.28 6pcy s PRO 36 N -5.08 2.43 0.02 1.99 0.04 -1.26 -5.07 135.00 128.07 6pcy s PRO 36 Ca 0.65 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 6pcy s PRO 36 Cb -0.17 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 6pcy s PRO 36 CO 0.56 -1.47 0.12 -1.01 0.04 0.00 0.00 177.00 175.25 6pcy s HIS 37 N -2.99 0.11 0.31 0.56 3.76 -0.53 -4.93 115.29 111.58 6pcy s HIS 37 Ca 0.60 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 6pcy s HIS 37 Cb -0.16 -0.09 -0.01 0.00 1.11 0.00 0.00 32.58 33.44 6pcy s HIS 37 CO 0.55 -0.33 0.37 0.27 -0.85 0.00 0.00 174.74 174.76 6pcy n ASN 38 N 1.10 -1.01 -3.78 1.40 0.23 -1.26 -0.66 115.26 111.28 6pcy n ASN 38 Ca -0.21 -2.84 -0.25 0.00 -0.53 0.00 0.00 54.58 50.75 6pcy n ASN 38 Cb 0.57 2.01 -0.17 0.00 -2.08 0.00 0.00 39.78 40.11 6pcy n ASN 38 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 6pcy s ILE 39 N -2.96 0.53 -0.08 1.53 1.09 -1.26 -4.09 121.20 115.96 6pcy s ILE 39 Ca 0.30 -0.17 0.03 0.00 -1.10 0.00 0.00 60.65 59.71 6pcy s ILE 39 Cb 0.00 -0.78 0.00 0.00 -1.06 0.00 0.00 42.46 40.62 6pcy s ILE 39 CO 0.22 0.12 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.30 6pcy s VAL 40 N 1.89 1.62 0.01 2.92 1.01 -0.20 -0.91 120.40 126.75 6pcy s VAL 40 Ca 0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 6pcy s VAL 40 Cb -0.14 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 6pcy s VAL 40 CO -0.07 0.46 0.42 -0.36 0.00 0.00 0.00 175.10 175.56 6pcy s PHE 41 N 0.43 3.73 -0.43 5.22 0.08 -1.26 -1.44 117.98 124.31 6pcy s PHE 41 Ca -0.15 1.00 -0.28 0.00 0.12 0.00 0.00 56.93 57.62 6pcy s PHE 41 Cb -0.16 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 6pcy s PHE 41 CO 0.06 0.63 1.55 0.34 -0.10 0.00 0.00 175.22 177.70 6pcy s ASP 42 N -1.13 6.11 0.54 1.36 -1.08 -0.90 -4.92 116.67 116.65 6pcy s ASP 42 Ca 0.25 0.84 0.22 0.00 -0.52 0.00 0.00 52.55 53.33 6pcy s ASP 42 Cb -0.17 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.17 6pcy s ASP 42 CO 0.14 -1.62 2.10 1.05 0.52 0.00 0.00 175.17 177.37 6pcy h GLU 43 N 11.64 0.00 -0.01 4.34 4.11 -1.96 0.37 114.58 133.07 6pcy h GLU 43 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 6pcy h GLU 43 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 6pcy h GLU 43 CO 1.09 0.00 -0.04 -0.25 0.07 0.00 0.00 179.01 179.88 6pcy n ASP 44 N -4.32 1.17 -2.58 3.06 10.43 -1.26 -4.21 116.55 118.85 6pcy n ASP 44 Ca 0.02 -1.28 -0.05 0.00 2.57 0.00 0.00 54.79 56.05 6pcy n ASP 44 Cb 0.29 0.01 0.04 0.00 1.84 0.00 0.00 41.12 43.31 6pcy n ASP 44 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 6pcy n SER 45 N -0.17 2.23 -4.35 -2.24 7.64 0.13 -5.06 113.62 111.80 6pcy n SER 45 Ca 0.18 -2.40 -0.18 0.00 1.01 0.00 0.00 58.87 57.49 6pcy n SER 45 Cb 0.32 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 6pcy n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 6pcy s ILE 46 N -3.78 1.02 0.40 0.44 -4.36 -1.15 -0.88 121.20 112.90 6pcy s ILE 46 Ca 0.32 -2.03 -0.25 0.00 -0.26 0.00 0.00 60.65 58.44 6pcy s ILE 46 Cb 0.34 -2.47 -0.11 0.00 1.25 0.00 0.00 42.46 41.48 6pcy s ILE 46 CO -0.03 -0.22 1.04 -2.65 0.24 0.00 0.00 174.94 173.32 6pcy n PRO 47 N -0.48 1.43 -1.70 0.37 -0.02 -1.24 -4.86 135.00 128.50 6pcy n PRO 47 Ca -0.04 0.51 -0.44 0.00 -2.02 0.00 0.00 63.50 61.52 6pcy n PRO 47 Cb 0.65 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 6pcy n PRO 47 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 6pcy n SER 48 N 0.58 3.44 0.00 2.55 7.64 -1.26 -2.23 113.62 124.34 6pcy n SER 48 Ca 0.09 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.08 6pcy n SER 48 Cb 0.38 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 6pcy n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 6pcy n GLY 49 N 2.93 1.22 3.73 0.23 0.00 -1.26 -5.04 105.19 106.99 6pcy n GLY 49 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 6pcy n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6pcy s VAL 50 N -2.52 4.30 -0.46 1.61 1.01 -0.95 -5.02 120.40 118.37 6pcy s VAL 50 Ca 0.00 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.57 6pcy s VAL 50 Cb 0.00 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.21 6pcy s VAL 50 CO 0.00 0.27 1.06 -0.62 0.00 0.00 0.00 175.10 175.80 6pcy s ASP 51 N 0.19 6.60 0.48 3.32 3.68 -1.26 -4.94 116.67 124.74 6pcy s ASP 51 Ca 0.49 0.38 0.17 0.00 2.13 0.00 0.00 52.55 55.73 6pcy s ASP 51 Cb -0.26 -2.51 1.17 0.00 -1.45 0.00 0.00 42.92 39.87 6pcy s ASP 51 CO 0.31 -1.16 2.05 0.00 0.13 0.00 0.00 175.17 176.51 6pcy h ALA 52 N 9.10 1.70 -0.33 3.66 0.00 -1.94 -2.77 119.26 128.68 6pcy h ALA 52 Ca -0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 6pcy h ALA 52 Cb 1.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 6pcy h ALA 52 CO 1.09 0.16 0.07 0.66 0.00 0.00 0.00 179.25 181.22 6pcy h SER 53 N 0.00 0.44 0.39 0.00 4.64 -1.92 -0.90 113.55 116.20 6pcy h SER 53 Ca -0.00 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 6pcy h SER 53 Cb 0.23 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 6pcy h SER 53 CO 0.02 0.46 -0.32 0.11 -0.87 0.00 0.00 176.83 176.22 6pcy h LYS 54 N 0.48 0.00 -0.01 4.77 1.57 -1.92 -3.29 116.57 118.17 6pcy h LYS 54 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 6pcy h LYS 54 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 6pcy h LYS 54 CO -0.00 0.32 0.00 0.44 -0.57 0.00 0.00 179.45 179.64 6pcy n ILE 55 N -4.01 0.09 -4.33 1.86 -5.35 -0.82 -5.05 119.36 101.75 6pcy n ILE 55 Ca -0.02 -0.55 -0.24 0.00 -0.27 0.00 0.00 62.75 61.68 6pcy n ILE 55 Cb 0.38 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 39.21 6pcy n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 6pcy s SER 56 N -0.31 4.26 0.66 7.28 0.01 -0.41 -4.78 113.70 120.41 6pcy s SER 56 Ca 0.04 -0.82 -0.15 0.00 1.31 0.00 0.00 55.95 56.33 6pcy s SER 56 Cb 0.02 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.61 6pcy s SER 56 CO 0.04 -0.07 1.11 -0.04 0.41 0.00 0.00 173.24 174.69 6pcy s MET 57 N -3.66 2.76 0.55 12.44 -1.94 -0.09 -4.89 119.30 124.48 6pcy s MET 57 Ca 0.32 1.39 -0.20 0.00 -1.71 0.00 0.00 55.69 55.49 6pcy s MET 57 Cb -0.04 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.81 6pcy s MET 57 CO 0.19 -1.28 1.25 0.45 -0.01 0.00 0.00 175.02 175.62 6pcy s SER 58 N -2.59 5.38 0.34 3.03 0.15 -1.26 -4.70 113.70 114.04 6pcy s SER 58 Ca 0.67 2.50 0.10 0.00 0.70 0.00 0.00 55.95 59.92 6pcy s SER 58 Cb -0.21 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.36 6pcy s SER 58 CO 0.42 -1.47 1.80 1.05 1.20 0.00 0.00 173.24 176.23 6pcy h GLU 59 N 1.28 0.62 -0.01 5.44 4.11 -1.96 -0.96 114.58 123.11 6pcy h GLU 59 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.89 6pcy h GLU 59 Cb 1.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 6pcy h GLU 59 CO 0.57 0.41 -0.11 0.39 0.07 0.00 0.00 179.01 180.34 6pcy n GLU 60 N -4.68 0.86 -3.45 1.06 4.71 -1.26 -4.84 120.64 113.03 6pcy n GLU 60 Ca 0.23 -0.34 -0.36 0.00 -0.01 0.00 0.00 57.16 56.68 6pcy n GLU 60 Cb 0.64 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.52 6pcy n GLU 60 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 6pcy s ASP 61 N -2.37 6.78 0.06 1.62 1.01 -0.37 -5.09 116.67 118.31 6pcy s ASP 61 Ca 0.31 0.98 0.04 0.00 0.71 0.00 0.00 52.55 54.59 6pcy s ASP 61 Cb 0.20 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 6pcy s ASP 61 CO 0.45 0.18 -0.11 -0.76 0.21 0.00 0.00 175.17 175.14 6pcy s LEU 62 N -1.72 2.28 -0.32 1.23 1.43 -1.26 -4.73 118.68 115.59 6pcy s LEU 62 Ca 0.33 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 6pcy s LEU 62 Cb -0.15 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 6pcy s LEU 62 CO 0.18 -0.15 0.23 -0.76 0.23 0.00 0.00 176.35 176.07 6pcy s LEU 63 N -1.75 4.33 -0.07 1.79 1.43 0.17 -4.95 118.68 119.63 6pcy s LEU 63 Ca -0.05 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 52.90 6pcy s LEU 63 Cb -0.09 -2.14 0.17 0.00 0.03 0.00 0.00 46.19 44.16 6pcy s LEU 63 CO 0.01 -0.17 1.06 -0.46 0.23 0.00 0.00 176.35 177.02 6pcy n ASN 64 N 5.10 1.86 -4.07 2.29 2.04 -1.26 -1.46 115.26 119.76 6pcy n ASN 64 Ca -0.13 -2.57 -0.17 0.00 -0.44 0.00 0.00 54.58 51.27 6pcy n ASN 64 Cb 0.51 -0.27 -0.13 0.00 -2.53 0.00 0.00 39.78 37.35 6pcy n ASN 64 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 6pcy s ALA 65 N -1.91 0.81 0.23 -2.53 0.00 -1.26 -4.78 121.76 112.31 6pcy s ALA 65 Ca 0.18 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 6pcy s ALA 65 Cb 0.16 -0.10 -0.14 0.00 0.00 0.00 0.00 23.12 23.04 6pcy s ALA 65 CO 0.02 0.12 1.26 1.63 0.00 0.00 0.00 175.76 178.79 6pcy n LYS 66 N 2.06 1.63 -0.13 0.00 5.02 -1.26 -2.62 118.16 122.87 6pcy n LYS 66 Ca -0.18 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 6pcy n LYS 66 Cb 0.56 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 6pcy n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 6pcy n GLY 67 N 1.92 2.10 3.76 0.72 0.00 0.02 -4.99 105.19 108.73 6pcy n GLY 67 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 6pcy n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 6pcy n GLU 68 N -2.00 2.21 -4.33 1.61 1.02 -1.08 -4.67 120.64 113.40 6pcy n GLU 68 Ca 0.00 0.79 -0.19 0.00 -0.02 0.00 0.00 57.16 57.74 6pcy n GLU 68 Cb 0.00 -2.64 -0.10 0.00 -0.02 0.00 0.00 31.44 28.67 6pcy n GLU 68 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 6pcy s THR 69 N -1.20 1.71 -0.05 2.62 -4.23 -1.26 0.11 115.64 113.34 6pcy s THR 69 Ca 0.62 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 6pcy s THR 69 Cb -0.44 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.48 6pcy s THR 69 CO 0.56 -0.50 -0.10 0.12 -0.54 0.00 0.00 174.62 174.16 6pcy s PHE 70 N -2.62 1.26 0.00 3.99 5.36 -0.35 -4.97 117.98 120.64 6pcy s PHE 70 Ca 0.19 -0.43 0.06 0.00 -0.96 0.00 0.00 56.93 55.79 6pcy s PHE 70 Cb -0.03 -0.94 -0.03 0.00 -0.34 0.00 0.00 43.02 41.69 6pcy s PHE 70 CO 0.06 -0.23 -0.17 -1.21 -1.46 0.00 0.00 175.22 172.21 6pcy s GLU 71 N 0.63 2.25 0.01 10.12 2.02 -1.26 -0.50 118.70 131.97 6pcy s GLU 71 Ca -0.12 -0.86 -0.12 0.00 0.02 0.00 0.00 54.97 53.89 6pcy s GLU 71 Cb -0.15 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.84 6pcy s GLU 71 CO 0.03 0.57 0.25 0.54 0.02 0.00 0.00 175.26 176.67 6pcy s VAL 72 N -0.83 0.08 -0.05 2.63 0.11 -0.33 -4.98 120.40 117.03 6pcy s VAL 72 Ca 0.13 -0.65 0.05 0.00 -2.93 0.00 0.00 61.98 58.58 6pcy s VAL 72 Cb -0.11 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 6pcy s VAL 72 CO 0.03 -0.36 -0.22 0.00 -3.33 0.00 0.00 175.10 171.22 6pcy s ALA 73 N -1.86 1.89 -0.05 1.54 0.00 -1.26 0.81 121.76 122.82 6pcy s ALA 73 Ca -0.10 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 6pcy s ALA 73 Cb -0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 6pcy s ALA 73 CO 0.00 0.37 -0.00 -0.51 0.00 0.00 0.00 175.76 175.62 6pcy s LEU 74 N -0.12 3.53 0.00 0.00 1.43 -1.25 -4.94 118.68 117.34 6pcy s LEU 74 Ca -0.03 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 6pcy s LEU 74 Cb -0.12 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 6pcy s LEU 74 CO 0.03 0.34 0.00 -1.54 0.23 0.00 0.00 176.35 175.41 6pcy n SER 75 N 1.85 3.61 -4.75 2.29 3.41 -1.26 0.74 113.62 119.50 6pcy n SER 75 Ca -0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.03 6pcy n SER 75 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 6pcy n SER 75 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 6pcy s ASN 76 N -4.06 6.63 0.54 4.04 0.01 -1.26 -4.71 114.94 116.12 6pcy s ASN 76 Ca 0.00 2.73 -0.19 0.00 -0.71 0.00 0.00 52.86 54.69 6pcy s ASN 76 Cb 0.00 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 38.97 6pcy s ASN 76 CO 0.00 -0.70 1.09 -0.54 -1.51 0.00 0.00 177.10 175.44 6pcy s LYS 77 N -0.83 3.46 0.00 -0.60 -0.14 -1.26 -4.76 119.74 115.62 6pcy s LYS 77 Ca 0.57 1.47 0.00 0.00 -1.36 0.00 0.00 55.97 56.65 6pcy s LYS 77 Cb -0.42 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.69 6pcy s LYS 77 CO 0.47 -0.73 0.00 0.41 -0.76 0.00 0.00 175.35 174.74 6pcy n GLY 78 N -0.13 0.81 3.86 -3.33 0.00 -0.52 -4.81 105.19 101.06 6pcy n GLY 78 Ca 0.10 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 6pcy n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 6pcy s GLU 79 N -1.28 3.57 -0.18 1.61 2.02 -1.26 -1.16 118.70 122.02 6pcy s GLU 79 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.97 6pcy s GLU 79 Cb 0.00 -3.21 0.04 0.00 0.10 0.00 0.00 34.13 31.06 6pcy s GLU 79 CO 0.00 0.73 -0.10 0.71 0.02 0.00 0.00 175.26 176.62 6pcy s TYR 80 N -0.95 2.21 0.01 1.61 1.51 0.98 -3.61 117.35 119.10 6pcy s TYR 80 Ca 0.16 -1.40 -0.18 0.00 -1.01 0.00 0.00 57.07 54.64 6pcy s TYR 80 Cb -0.13 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 6pcy s TYR 80 CO 0.06 -0.70 0.52 -1.12 -1.11 0.00 0.00 175.55 173.20 6pcy s SER 81 N 1.47 6.92 0.21 2.29 0.01 -0.06 -0.86 113.70 123.69 6pcy s SER 81 Ca 0.01 1.10 0.01 0.00 1.31 0.00 0.00 55.95 58.37 6pcy s SER 81 Cb -0.15 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 6pcy s SER 81 CO -0.09 0.21 0.07 0.72 0.41 0.00 0.00 173.24 174.57 6pcy s PHE 82 N -0.66 1.31 0.18 2.43 -0.71 -0.13 -2.13 117.98 118.27 6pcy s PHE 82 Ca 0.28 -1.17 -0.13 0.00 -1.04 0.00 0.00 56.93 54.86 6pcy s PHE 82 Cb -0.18 -0.74 0.01 0.00 -1.21 0.00 0.00 43.02 40.90 6pcy s PHE 82 CO 0.16 -0.37 0.40 1.52 -1.34 0.00 0.00 175.22 175.58 6pcy s TYR 83 N -3.83 0.13 -0.29 3.49 -0.85 -0.52 -0.72 117.35 114.76 6pcy s TYR 83 Ca 0.33 -0.49 -0.15 0.00 -0.52 0.00 0.00 57.07 56.24 6pcy s TYR 83 Cb 0.07 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 6pcy s TYR 83 CO 0.09 -0.81 0.37 0.00 -1.52 0.00 0.00 175.55 173.69 6pcy h SER 85 N 8.25 0.12 0.51 0.00 4.64 -1.90 0.38 113.55 125.55 6pcy h SER 85 Ca -0.31 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 60.94 6pcy h SER 85 Cb 1.16 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 6pcy h SER 85 CO 0.65 0.11 -0.18 1.55 -0.87 0.00 0.00 176.83 178.09 6pcy h PRO 86 N 0.11 0.00 0.00 4.77 0.13 -1.93 -3.10 132.00 131.98 6pcy h PRO 86 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 6pcy h PRO 86 Cb 0.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 6pcy h PRO 86 CO -0.01 0.18 -0.29 0.72 -0.23 0.00 0.00 178.00 178.38 6pcy n HIS 87 N -3.64 0.00 -0.30 1.56 8.25 -1.05 -4.71 115.22 115.33 6pcy n HIS 87 Ca -0.01 -1.14 -0.04 0.00 -0.26 0.00 0.00 57.72 56.27 6pcy n HIS 87 Cb 0.31 -0.19 0.09 0.00 1.12 0.00 0.00 29.99 31.33 6pcy n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 6pcy h GLN 88 N 0.47 1.20 0.00 -0.41 4.15 -0.85 -2.26 115.11 117.42 6pcy h GLN 88 Ca -0.01 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.18 6pcy h GLN 88 Cb 1.06 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 6pcy h GLN 88 CO 0.00 0.92 -0.26 0.78 -1.93 0.00 0.00 178.83 178.34 6pcy h GLY 89 N 1.20 0.00 1.82 2.39 0.00 -1.84 -1.11 103.07 105.53 6pcy h GLY 89 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 6pcy h GLY 89 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.50 6pcy n ALA 90 N -2.28 1.81 -0.32 3.60 0.00 -0.98 -4.88 120.51 117.45 6pcy n ALA 90 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 6pcy n ALA 90 Cb 0.41 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.60 6pcy n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 6pcy n GLY 91 N 0.14 0.83 3.57 0.00 0.00 -0.42 -4.97 105.19 104.35 6pcy n GLY 91 Ca 0.06 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 6pcy n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 6pcy s MET 92 N -0.67 3.83 0.16 1.61 -2.45 -0.89 -4.89 119.30 116.00 6pcy s MET 92 Ca 0.00 -1.73 0.02 0.00 -1.25 0.00 0.00 55.69 52.73 6pcy s MET 92 Cb 0.00 -5.48 -0.05 0.00 1.25 0.00 0.00 34.83 30.56 6pcy s MET 92 CO 0.00 -2.31 -0.01 0.14 1.05 0.00 0.00 175.02 173.89 6pcy s VAL 93 N 4.68 0.70 0.34 10.11 -7.23 -1.26 -1.70 120.40 126.04 6pcy s VAL 93 Ca 0.52 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.58 6pcy s VAL 93 Cb 0.03 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.95 6pcy s VAL 93 CO 0.03 -0.54 0.66 -0.83 -0.31 0.00 0.00 175.10 174.12 6pcy s GLY 94 N -3.16 0.54 -0.13 2.32 0.00 0.10 -4.64 107.32 102.35 6pcy s GLY 94 Ca 0.22 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 6pcy s GLY 94 CO 0.03 -0.46 0.32 1.25 0.00 0.00 0.00 173.10 174.24 6pcy s LYS 95 N -3.04 0.29 0.00 2.90 2.20 0.31 -0.95 119.74 121.46 6pcy s LYS 95 Ca 0.19 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.47 6pcy s LYS 95 Cb -0.04 -0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 6pcy s LYS 95 CO 0.12 -0.15 -0.12 0.54 -0.36 0.00 0.00 175.35 175.37 6pcy s VAL 96 N 1.24 3.21 -0.17 4.02 0.11 -0.04 -2.77 120.40 125.99 6pcy s VAL 96 Ca -0.09 -0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 6pcy s VAL 96 Cb -0.09 -2.35 -0.01 0.00 -1.53 0.00 0.00 36.38 32.40 6pcy s VAL 96 CO -0.10 0.42 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.13 6pcy s THR 97 N -0.91 3.36 -0.36 5.04 2.01 -0.73 -0.02 115.64 124.03 6pcy s THR 97 Ca 0.15 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 6pcy s THR 97 Cb -0.11 -2.47 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 6pcy s THR 97 CO 0.05 0.48 0.35 -0.69 -0.69 0.00 0.00 174.62 174.11 6pcy s VAL 98 N 0.84 5.18 0.00 3.82 1.01 -0.31 -1.02 120.40 129.92 6pcy s VAL 98 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.83 6pcy s VAL 98 Cb -0.15 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.38 6pcy s VAL 98 CO 0.01 -0.15 0.36 -0.46 0.00 0.00 0.00 175.10 174.86