#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dql s ILE 2 N 0.00 5.03 -0.51 5.18 -1.09 -1.26 -5.05 121.20 123.50 1dql s ILE 2 Ca 0.00 0.09 -0.20 0.00 -2.23 0.00 0.00 60.65 58.31 1dql s ILE 2 Cb 0.00 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 1dql s ILE 2 CO 0.00 -0.25 0.66 -1.10 -1.23 0.00 0.00 174.94 173.02 1dql s GLN 3 N -3.37 3.15 -0.27 2.79 1.11 -1.26 -4.88 119.66 116.93 1dql s GLN 3 Ca 0.44 -0.81 -0.20 0.00 0.01 0.00 0.00 55.36 54.80 1dql s GLN 3 Cb -0.11 -4.09 -0.02 0.00 -1.01 0.00 0.00 33.01 27.78 1dql s GLN 3 CO 0.28 -1.25 0.61 1.41 0.01 0.00 0.00 175.29 176.35 1dql s MET 4 N 2.79 4.05 -0.26 2.91 1.75 -1.26 -2.65 119.30 126.63 1dql s MET 4 Ca 0.17 0.45 0.00 0.00 -1.25 0.00 0.00 55.69 55.06 1dql s MET 4 Cb -0.18 -3.67 0.04 0.00 2.84 0.00 0.00 34.83 33.86 1dql s MET 4 CO 0.13 -0.44 -0.08 -0.08 -0.65 0.00 0.00 175.02 173.90 1dql s THR 5 N 2.50 2.56 0.01 10.11 -1.32 -0.45 -4.39 115.64 124.66 1dql s THR 5 Ca 0.25 -1.34 -0.03 0.00 -1.21 0.00 0.00 61.69 59.35 1dql s THR 5 Cb -0.15 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 1dql s THR 5 CO 0.09 0.06 0.21 -1.58 -2.21 0.00 0.00 174.62 171.20 1dql s GLN 6 N 1.22 3.48 -0.14 7.08 0.74 -1.26 -1.91 119.66 128.87 1dql s GLN 6 Ca -0.04 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.81 1dql s GLN 6 Cb -0.18 -3.08 0.08 0.00 1.10 0.00 0.00 33.01 30.93 1dql s GLN 6 CO -0.05 0.65 0.73 -1.54 -0.55 0.00 0.00 175.29 174.54 1dql s SER 7 N -1.97 -0.66 0.92 6.67 1.04 -0.85 -4.63 113.70 114.21 1dql s SER 7 Ca 0.29 0.95 -0.12 0.00 0.48 0.00 0.00 55.95 57.54 1dql s SER 7 Cb -0.13 0.85 0.14 0.00 0.10 0.00 0.00 66.02 66.99 1dql s SER 7 CO 0.19 -0.46 1.13 -2.16 0.98 0.00 0.00 173.24 172.93 1dql s PRO 8 N -0.61 1.05 0.33 4.02 0.04 -1.26 -2.37 135.00 136.19 1dql s PRO 8 Ca -0.06 0.30 0.21 0.00 0.04 0.00 0.00 61.00 61.49 1dql s PRO 8 Cb -0.02 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.87 1dql s PRO 8 CO 0.06 -2.26 1.38 0.66 0.04 0.00 0.00 177.00 176.88 1dql h SER 9 N -1.55 0.00 -4.62 6.66 4.64 -1.82 -3.40 113.55 113.46 1dql h SER 9 Ca -0.51 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1dql h SER 9 Cb 1.33 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.27 1dql h SER 9 CO 0.61 0.13 0.50 -0.94 -0.87 0.00 0.00 176.83 176.26 1dql s SER 10 N -6.01 -0.36 -0.28 4.97 1.04 -1.26 -2.38 113.70 109.42 1dql s SER 10 Ca 0.04 0.02 -0.23 0.00 0.48 0.00 0.00 55.95 56.25 1dql s SER 10 Cb 0.07 0.38 0.11 0.00 0.10 0.00 0.00 66.02 66.68 1dql s SER 10 CO 0.72 -0.60 0.94 -1.48 0.98 0.00 0.00 173.24 173.80 1dql s LEU 11 N -2.42 -0.55 0.02 2.42 0.05 -1.08 -4.95 118.68 112.17 1dql s LEU 11 Ca 0.05 1.03 -0.16 0.00 0.05 0.00 0.00 54.13 55.09 1dql s LEU 11 Cb -0.01 2.02 -0.06 0.00 -2.05 0.00 0.00 46.19 46.10 1dql s LEU 11 CO -0.08 -0.17 0.46 -0.44 -0.55 0.00 0.00 176.35 175.56 1dql s SER 12 N 0.48 6.89 0.28 1.48 0.01 -1.26 -2.44 113.70 119.14 1dql s SER 12 Ca 0.00 1.06 -0.15 0.00 1.31 0.00 0.00 55.95 58.17 1dql s SER 12 Cb -0.05 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1dql s SER 12 CO -0.07 0.30 0.58 0.00 0.41 0.00 0.00 173.24 174.47 1dql s ALA 13 N -1.04 -0.50 0.19 1.44 0.00 -0.99 -4.87 121.76 115.99 1dql s ALA 13 Ca 0.25 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1dql s ALA 13 Cb -0.18 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1dql s ALA 13 CO 0.15 -0.92 -0.10 -1.54 0.00 0.00 0.00 175.76 173.35 1dql s SER 14 N -3.01 2.18 0.20 0.00 1.04 -1.26 -0.19 113.70 112.66 1dql s SER 14 Ca 0.19 -1.05 -0.31 0.00 0.48 0.00 0.00 55.95 55.25 1dql s SER 14 Cb -0.03 -0.07 -0.15 0.00 0.10 0.00 0.00 66.02 65.87 1dql s SER 14 CO 0.10 -0.29 1.06 0.52 0.98 0.00 0.00 173.24 175.61 1dql n VAL 15 N -0.32 1.24 0.00 5.02 0.31 -1.26 -2.28 118.33 121.04 1dql n VAL 15 Ca -0.08 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1dql n VAL 15 Cb 0.61 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1dql n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dql n GLY 16 N 1.80 2.91 3.70 2.92 0.00 -0.06 -4.91 105.19 111.54 1dql n GLY 16 Ca 0.14 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1dql n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dql n ASP 17 N 0.35 1.66 -4.47 1.61 10.43 -0.97 -3.99 116.55 121.17 1dql n ASP 17 Ca 0.00 0.80 -0.43 0.00 2.57 0.00 0.00 54.79 57.73 1dql n ASP 17 Cb 0.00 -1.51 -0.07 0.00 1.84 0.00 0.00 41.12 41.37 1dql n ASP 17 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1dql s ARG 18 N -3.29 3.13 0.13 -1.24 3.52 -1.25 -1.35 118.95 118.60 1dql s ARG 18 Ca 0.81 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 55.60 1dql s ARG 18 Cb -0.38 -4.02 -0.06 0.00 -1.56 0.00 0.00 34.95 28.94 1dql s ARG 18 CO 0.42 -1.01 0.37 0.08 -0.81 0.00 0.00 175.30 174.36 1dql s VAL 19 N 2.40 5.16 -0.07 7.11 1.01 -1.08 -4.96 120.40 129.98 1dql s VAL 19 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1dql s VAL 19 Cb -0.18 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1dql s VAL 19 CO 0.14 0.07 0.06 -0.89 0.00 0.00 0.00 175.10 174.47 1dql s THR 20 N -1.63 -0.06 -0.07 3.92 2.01 -1.26 -1.58 115.64 116.97 1dql s THR 20 Ca 0.40 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.73 1dql s THR 20 Cb -0.12 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1dql s THR 20 CO 0.24 0.10 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.47 1dql s ILE 21 N 2.15 2.75 0.10 1.82 1.01 -0.35 -4.75 121.20 123.93 1dql s ILE 21 Ca 0.04 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1dql s ILE 21 Cb -0.13 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1dql s ILE 21 CO -0.04 0.57 -0.18 0.28 0.00 0.00 0.00 174.94 175.57 1dql s THR 22 N -0.36 1.50 -0.01 2.92 -1.32 -1.00 0.78 115.64 118.15 1dql s THR 22 Ca 0.03 -1.50 0.02 0.00 -1.21 0.00 0.00 61.69 59.03 1dql s THR 22 Cb -0.12 -1.42 -0.00 0.00 -1.51 0.00 0.00 72.50 69.45 1dql s THR 22 CO 0.02 -0.15 -0.08 0.00 -2.21 0.00 0.00 174.62 172.20 1dql s ARG 24 N -0.05 1.23 0.14 0.00 0.52 -0.80 -0.57 118.95 119.43 1dql s ARG 24 Ca 0.01 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 1dql s ARG 24 Cb -0.05 -1.29 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 1dql s ARG 24 CO -0.00 0.33 0.19 0.00 0.02 0.00 0.00 175.30 175.84 1dql s ALA 25 N -0.75 3.75 -1.02 2.13 0.00 -0.11 -1.34 121.76 124.42 1dql s ALA 25 Ca 0.05 -1.10 0.26 0.00 0.00 0.00 0.00 51.96 51.18 1dql s ALA 25 Cb -0.08 -1.56 1.14 0.00 0.00 0.00 0.00 23.12 22.62 1dql s ALA 25 CO 0.01 0.57 1.85 -1.13 0.00 0.00 0.00 175.76 177.06 1dql n SER 26 N -0.29 0.00 -3.46 0.00 3.41 -1.08 -4.83 113.62 107.37 1dql n SER 26 Ca -0.08 0.47 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 1dql n SER 26 Cb 0.54 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1dql n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dql s GLN 27 N -2.98 1.10 -0.14 4.33 -2.07 -1.26 -4.97 119.66 113.68 1dql s GLN 27 Ca 0.13 -0.30 -0.35 0.00 -1.82 0.00 0.00 55.36 53.02 1dql s GLN 27 Cb 0.17 0.51 -0.12 0.00 -1.09 0.00 0.00 33.01 32.48 1dql s GLN 27 CO 0.48 -0.46 1.89 -3.47 -1.32 0.00 0.00 175.29 172.41 1dql n ASP 28 N -0.12 3.24 -0.31 12.60 4.64 -1.26 -4.77 116.55 130.56 1dql n ASP 28 Ca -0.15 0.93 0.08 0.00 -1.38 0.00 0.00 54.79 54.27 1dql n ASP 28 Cb 0.63 -1.34 0.15 0.00 -1.04 0.00 0.00 41.12 39.52 1dql n ASP 28 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1dql n ILE 29 N 5.28 1.79 0.00 5.18 -5.35 -0.88 -5.04 119.36 120.35 1dql n ILE 29 Ca 0.24 -1.88 0.00 0.00 -0.27 0.00 0.00 62.75 60.84 1dql n ILE 29 Cb 0.27 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1dql n ILE 29 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1dql n ARG 30 N -0.91 0.00 -0.07 6.28 1.74 -1.25 -2.24 116.66 120.20 1dql n ARG 30 Ca 0.15 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.27 1dql n ARG 30 Cb 0.63 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.13 1dql n ARG 30 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1dql n ASN 31 N 8.00 1.82 -4.07 0.55 2.04 -1.26 -0.76 115.26 121.58 1dql n ASN 31 Ca 0.00 -2.37 -0.42 0.00 -0.44 0.00 0.00 54.58 51.34 1dql n ASN 31 Cb 0.00 -0.19 0.00 0.00 -2.53 0.00 0.00 39.78 37.06 1dql n ASN 31 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1dql n ASP 32 N -0.81 4.42 -3.92 0.53 10.43 -0.95 -2.09 116.55 124.17 1dql n ASP 32 Ca 0.07 -2.90 -0.10 0.00 2.57 0.00 0.00 54.79 54.42 1dql n ASP 32 Cb 0.47 -1.67 -0.10 0.00 1.84 0.00 0.00 41.12 41.66 1dql n ASP 32 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1dql s LEU 33 N 2.61 1.87 -0.00 0.64 0.20 -1.26 -1.53 118.68 121.21 1dql s LEU 33 Ca 0.48 -0.37 -0.03 0.00 0.69 0.00 0.00 54.13 54.91 1dql s LEU 33 Cb 0.09 0.42 -0.00 0.00 -0.43 0.00 0.00 46.19 46.27 1dql s LEU 33 CO -0.02 -0.36 0.06 -0.83 -0.29 0.00 0.00 176.35 174.91 1dql s GLY 34 N -1.50 0.09 -0.04 7.98 0.00 -0.85 -1.27 107.32 111.73 1dql s GLY 34 Ca -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1dql s GLY 34 CO -0.00 -0.28 0.07 -0.98 0.00 0.00 0.00 173.10 171.91 1dql s TRP 35 N -0.98 3.29 0.08 1.90 0.52 -0.55 -0.40 118.94 122.80 1dql s TRP 35 Ca -0.11 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.30 1dql s TRP 35 Cb -0.06 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1dql s TRP 35 CO 0.00 0.55 -0.13 0.71 0.02 0.00 0.00 176.95 178.10 1dql s TYR 36 N -1.10 1.20 -0.00 -1.98 1.51 0.71 -0.76 117.35 116.93 1dql s TYR 36 Ca 0.20 -0.50 0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1dql s TYR 36 Cb -0.12 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1dql s TYR 36 CO 0.10 0.06 -0.23 1.14 -1.11 0.00 0.00 175.55 175.51 1dql s GLN 37 N -2.03 1.76 -0.06 -0.62 -2.07 -0.29 -0.92 119.66 115.44 1dql s GLN 37 Ca 0.00 -0.87 -0.01 0.00 -1.82 0.00 0.00 55.36 52.66 1dql s GLN 37 Cb -0.08 -1.76 0.03 0.00 -1.09 0.00 0.00 33.01 30.11 1dql s GLN 37 CO 0.02 0.48 0.02 -1.14 -1.32 0.00 0.00 175.29 173.34 1dql s GLN 38 N -0.72 0.44 0.21 9.60 0.74 -0.26 -1.07 119.66 128.60 1dql s GLN 38 Ca 0.09 0.17 -0.07 0.00 0.05 0.00 0.00 55.36 55.60 1dql s GLN 38 Cb -0.09 -0.85 -0.06 0.00 1.10 0.00 0.00 33.01 33.10 1dql s GLN 38 CO -0.00 -0.31 0.48 0.15 -0.55 0.00 0.00 175.29 175.07 1dql s LYS 39 N 2.00 3.71 -0.06 1.67 -0.14 -1.26 -1.97 119.74 123.68 1dql s LYS 39 Ca 0.05 0.09 -0.38 0.00 -1.36 0.00 0.00 55.97 54.37 1dql s LYS 39 Cb -0.12 -2.72 -0.16 0.00 -1.68 0.00 0.00 37.83 33.14 1dql s LYS 39 CO -0.05 0.36 1.52 -2.30 -0.76 0.00 0.00 175.35 174.12 1dql n PRO 40 N -0.17 1.19 -0.89 -1.68 -0.02 -1.26 -2.38 135.00 129.78 1dql n PRO 40 Ca -0.01 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1dql n PRO 40 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1dql n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dql n GLY 41 N 3.24 0.78 3.57 -1.23 0.00 -1.26 -5.04 105.19 105.26 1dql n GLY 41 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1dql n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dql s LYS 42 N -0.11 1.95 0.36 1.61 3.01 -1.00 -5.15 119.74 120.41 1dql s LYS 42 Ca 0.00 -2.19 -0.09 0.00 -1.01 0.00 0.00 55.97 52.69 1dql s LYS 42 Cb 0.00 -0.95 -0.06 0.00 -1.01 0.00 0.00 37.83 35.81 1dql s LYS 42 CO 0.00 -0.37 0.69 0.00 0.51 0.00 0.00 175.35 176.18 1dql s ALA 43 N -3.11 3.44 0.52 5.17 0.00 -1.26 -4.70 121.76 121.83 1dql s ALA 43 Ca 0.22 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 51.65 1dql s ALA 43 Cb 0.04 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1dql s ALA 43 CO 0.12 0.10 1.29 -1.25 0.00 0.00 0.00 175.76 176.01 1dql s PRO 44 N -3.69 3.32 -0.08 0.00 0.04 -1.26 -4.74 135.00 128.59 1dql s PRO 44 Ca 0.49 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.62 1dql s PRO 44 Cb -0.10 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1dql s PRO 44 CO 0.30 -0.99 -0.20 0.21 0.04 0.00 0.00 177.00 176.35 1dql s LYS 45 N -2.88 2.51 0.15 4.56 2.20 -0.23 -4.94 119.74 121.12 1dql s LYS 45 Ca 0.70 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 1dql s LYS 45 Cb -0.36 -1.98 -0.07 0.00 -1.51 0.00 0.00 37.83 33.91 1dql s LYS 45 CO 0.42 0.18 1.15 0.21 -0.36 0.00 0.00 175.35 176.95 1dql s LYS 46 N 0.32 4.53 -0.19 4.03 2.20 -1.26 -1.13 119.74 128.23 1dql s LYS 46 Ca -0.14 1.76 -0.11 0.00 -0.36 0.00 0.00 55.97 57.12 1dql s LYS 46 Cb -0.16 -3.29 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 1dql s LYS 46 CO 0.06 -0.05 -0.27 1.28 -0.36 0.00 0.00 175.35 176.01 1dql n LEU 47 N 2.83 1.55 -4.26 5.43 4.77 0.06 -4.81 117.00 122.58 1dql n LEU 47 Ca 0.05 0.26 -0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1dql n LEU 47 Cb 0.46 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 1dql n LEU 47 CO 0.55 0.22 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.76 1dql s ILE 48 N -2.47 1.31 0.11 -0.08 1.01 -1.18 -0.33 121.20 119.58 1dql s ILE 48 Ca -0.28 -1.91 -0.09 0.00 0.00 0.00 0.00 60.65 58.37 1dql s ILE 48 Cb 0.09 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 1dql s ILE 48 CO 0.36 -0.57 0.23 -0.72 0.00 0.00 0.00 174.94 174.23 1dql s TYR 49 N -2.71 0.20 -1.50 3.97 1.13 -0.73 -1.48 117.35 116.22 1dql s TYR 49 Ca 0.14 -0.60 -0.13 0.00 -1.41 0.00 0.00 57.07 55.06 1dql s TYR 49 Cb -0.01 -0.04 0.07 0.00 -1.10 0.00 0.00 41.96 40.88 1dql s TYR 49 CO 0.03 -0.60 1.01 0.00 -2.51 0.00 0.00 175.55 173.48 1dql n ALA 50 N -0.11 -1.31 0.00 9.51 0.00 -0.62 -1.87 120.51 126.11 1dql n ALA 50 Ca -0.13 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1dql n ALA 50 Cb 0.63 -4.60 0.00 0.00 0.00 0.00 0.00 19.45 15.48 1dql n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dql n ALA 51 N -4.73 0.00 0.00 0.00 0.00 -0.40 -4.01 120.51 111.37 1dql n ALA 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1dql n ALA 51 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1dql n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dql n SER 52 N 0.51 4.45 -4.71 0.00 7.64 -1.20 -3.61 113.62 116.70 1dql n SER 52 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1dql n SER 52 Cb 0.00 0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 1dql n SER 52 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1dql s SER 53 N -1.92 6.68 0.44 6.43 0.01 -0.78 -4.55 113.70 120.00 1dql s SER 53 Ca 0.00 2.46 -0.22 0.00 1.31 0.00 0.00 55.95 59.50 1dql s SER 53 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1dql s SER 53 CO 0.00 -0.78 1.03 -0.76 0.41 0.00 0.00 173.24 173.14 1dql s LEU 54 N 1.54 3.98 0.11 2.44 2.01 -1.26 -1.78 118.68 125.72 1dql s LEU 54 Ca 0.69 1.93 -0.20 0.00 0.01 0.00 0.00 54.13 56.56 1dql s LEU 54 Cb -0.40 -4.40 -0.07 0.00 0.01 0.00 0.00 46.19 41.33 1dql s LEU 54 CO 0.31 -0.59 0.62 -1.58 1.01 0.00 0.00 176.35 176.11 1dql s GLN 55 N -2.92 4.24 0.02 1.70 -0.44 0.55 -4.88 119.66 117.95 1dql s GLN 55 Ca 0.63 0.79 -0.35 0.00 -2.50 0.00 0.00 55.36 53.93 1dql s GLN 55 Cb -0.17 -3.17 -0.14 0.00 -1.64 0.00 0.00 33.01 27.89 1dql s GLN 55 CO 0.22 0.59 1.67 0.45 0.50 0.00 0.00 175.29 178.71 1dql n SER 56 N 1.49 2.97 0.00 6.67 2.88 -1.26 -2.02 113.62 124.34 1dql n SER 56 Ca -0.08 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1dql n SER 56 Cb 0.51 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1dql n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dql n GLY 57 N 3.72 0.80 3.50 0.46 0.00 -1.26 -5.07 105.19 107.33 1dql n GLY 57 Ca 0.20 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1dql n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dql s VAL 58 N -2.00 3.91 0.42 1.61 1.01 -0.86 -5.09 120.40 119.40 1dql s VAL 58 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 1dql s VAL 58 Cb 0.00 -2.72 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 1dql s VAL 58 CO 0.00 0.49 1.03 -2.65 0.00 0.00 0.00 175.10 173.97 1dql n PRO 59 N 3.59 1.40 0.00 2.72 -0.02 -1.26 -4.88 135.00 136.55 1dql n PRO 59 Ca -0.17 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 61.86 1dql n PRO 59 Cb 0.52 -2.07 0.24 0.00 -0.02 0.00 0.00 33.50 32.18 1dql n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dql n SER 60 N 0.49 0.00 0.02 2.55 3.41 -1.26 -2.36 113.62 116.47 1dql n SER 60 Ca 0.09 0.50 0.07 0.00 -0.26 0.00 0.00 58.87 59.27 1dql n SER 60 Cb 0.39 -0.50 0.31 0.00 -0.26 0.00 0.00 64.21 64.15 1dql n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1dql n ARG 61 N -1.50 0.03 -3.58 4.33 1.85 -1.26 -4.48 116.66 112.05 1dql n ARG 61 Ca 0.03 0.31 -0.37 0.00 -1.00 0.00 0.00 57.85 56.81 1dql n ARG 61 Cb 0.13 -1.56 -0.09 0.00 -1.05 0.00 0.00 32.46 29.89 1dql n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1dql s PHE 62 N -3.05 3.34 0.01 2.89 0.08 -0.99 -1.37 117.98 118.89 1dql s PHE 62 Ca 0.06 0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.36 1dql s PHE 62 Cb 0.08 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1dql s PHE 62 CO 0.26 0.06 0.21 -1.54 -0.10 0.00 0.00 175.22 174.11 1dql s SER 63 N 1.00 -0.04 0.08 1.36 1.04 -0.83 -4.99 113.70 111.32 1dql s SER 63 Ca 0.11 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1dql s SER 63 Cb -0.14 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 1dql s SER 63 CO 0.05 -0.46 -0.10 -0.83 0.98 0.00 0.00 173.24 172.88 1dql s GLY 64 N -1.63 0.77 0.15 7.32 0.00 -1.26 -0.66 107.32 112.01 1dql s GLY 64 Ca -0.11 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.38 1dql s GLY 64 CO 0.00 -1.16 0.38 -1.35 0.00 0.00 0.00 173.10 170.97 1dql s SER 65 N -2.25 -0.13 0.00 1.64 1.04 -0.59 -4.34 113.70 109.07 1dql s SER 65 Ca 0.02 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1dql s SER 65 Cb -0.04 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1dql s SER 65 CO -0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1dql n GLY 66 N -0.23 3.45 3.51 7.32 0.00 -1.26 -0.96 105.19 117.01 1dql n GLY 66 Ca -0.12 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 1dql n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dql s SER 67 N 0.00 -0.48 0.25 1.61 1.04 -1.19 -4.87 113.70 110.06 1dql s SER 67 Ca 0.00 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1dql s SER 67 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1dql s SER 67 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1dql n GLY 68 N 0.24 1.56 0.00 7.32 0.00 0.06 -3.81 105.19 110.56 1dql n GLY 68 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1dql n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dql n THR 69 N 0.00 0.00 -4.03 2.61 -2.24 -1.26 -2.08 114.28 107.28 1dql n THR 69 Ca 0.00 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 1dql n THR 69 Cb 0.00 1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 69.36 1dql n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dql s ASP 70 N -0.13 3.79 0.28 3.42 2.15 -1.25 -0.93 116.67 124.00 1dql s ASP 70 Ca 0.00 -1.07 0.10 0.00 0.43 0.00 0.00 52.55 52.01 1dql s ASP 70 Cb 0.00 -1.37 -0.05 0.00 -0.30 0.00 0.00 42.92 41.19 1dql s ASP 70 CO 0.00 -0.15 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.34 1dql s PHE 71 N 1.28 2.17 -0.17 -5.34 0.40 0.27 -3.14 117.98 113.44 1dql s PHE 71 Ca -0.04 -0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1dql s PHE 71 Cb -0.17 -1.07 0.05 0.00 0.51 0.00 0.00 43.02 42.34 1dql s PHE 71 CO -0.07 0.56 0.42 0.99 0.70 0.00 0.00 175.22 177.82 1dql s THR 72 N -2.69 -0.02 -0.18 0.64 2.01 -0.13 -1.96 115.64 113.32 1dql s THR 72 Ca 0.29 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 1dql s THR 72 Cb -0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1dql s THR 72 CO 0.13 0.02 0.03 -0.22 -0.69 0.00 0.00 174.62 173.89 1dql s LEU 73 N 0.97 3.56 -0.02 4.42 0.20 0.23 -1.55 118.68 126.50 1dql s LEU 73 Ca -0.06 -0.03 0.06 0.00 0.69 0.00 0.00 54.13 54.79 1dql s LEU 73 Cb -0.06 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 1dql s LEU 73 CO -0.08 0.15 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.03 1dql s THR 74 N 0.51 1.64 -0.10 3.68 2.01 0.17 -1.21 115.64 122.33 1dql s THR 74 Ca 0.01 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1dql s THR 74 Cb -0.13 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1dql s THR 74 CO 0.02 0.46 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.67 1dql s ILE 75 N -0.49 1.98 -0.06 1.82 2.07 -0.61 -1.97 121.20 123.95 1dql s ILE 75 Ca 0.08 -0.97 -0.17 0.00 -1.41 0.00 0.00 60.65 58.18 1dql s ILE 75 Cb -0.08 -1.72 -0.12 0.00 0.13 0.00 0.00 42.46 40.66 1dql s ILE 75 CO -0.01 0.54 0.69 0.28 -1.91 0.00 0.00 174.94 174.54 1dql h SER 76 N 6.79 -0.22 -3.24 4.50 0.02 -1.52 -2.86 113.55 117.02 1dql h SER 76 Ca -0.21 -0.25 -0.54 0.00 -0.84 0.00 0.00 61.79 59.95 1dql h SER 76 Cb 1.23 0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.43 1dql h SER 76 CO 0.48 0.32 -0.76 -0.55 -1.14 0.00 0.00 176.83 175.17 1dql s SER 77 N -5.38 3.27 0.05 3.07 0.15 -1.26 -3.88 113.70 109.73 1dql s SER 77 Ca -0.10 -1.07 -0.32 0.00 0.70 0.00 0.00 55.95 55.16 1dql s SER 77 Cb 0.00 -0.68 -0.11 0.00 -1.71 0.00 0.00 66.02 63.52 1dql s SER 77 CO 0.37 -0.34 1.85 -0.11 1.20 0.00 0.00 173.24 176.22 1dql n LEU 78 N 4.99 3.83 -4.90 3.45 -0.00 -0.46 -4.70 117.00 119.21 1dql n LEU 78 Ca -0.07 0.97 -0.24 0.00 -0.00 0.00 0.00 56.01 56.67 1dql n LEU 78 Cb 0.45 -1.48 -0.04 0.00 -0.00 0.00 0.00 43.42 42.35 1dql n LEU 78 CO 0.12 0.08 -0.12 -1.10 -0.00 0.00 0.00 177.39 176.37 1dql s GLN 79 N 3.28 3.24 0.65 1.96 -1.52 -1.26 -0.88 119.66 125.13 1dql s GLN 79 Ca 0.86 -0.76 0.26 0.00 -1.95 0.00 0.00 55.36 53.76 1dql s GLN 79 Cb -0.54 -2.82 1.38 0.00 -0.22 0.00 0.00 33.01 30.81 1dql s GLN 79 CO 0.42 0.48 1.78 -1.35 -0.25 0.00 0.00 175.29 176.37 1dql h PRO 80 N 1.90 0.00 -0.03 2.91 0.11 -2.00 0.16 132.00 135.06 1dql h PRO 80 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dql h PRO 80 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dql h PRO 80 CO 0.64 0.00 -0.07 0.39 -0.21 0.00 0.00 178.00 178.75 1dql n GLU 81 N -2.98 2.01 -0.03 1.05 4.71 -1.26 -4.35 120.64 119.79 1dql n GLU 81 Ca 0.00 -1.71 0.12 0.00 -0.01 0.00 0.00 57.16 55.57 1dql n GLU 81 Cb 0.53 -1.44 0.54 0.00 -1.01 0.00 0.00 31.44 30.07 1dql n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1dql n ASP 82 N 1.06 1.12 -4.63 1.62 10.43 0.56 -4.82 116.55 121.88 1dql n ASP 82 Ca 0.12 -1.49 -0.43 0.00 2.57 0.00 0.00 54.79 55.57 1dql n ASP 82 Cb 0.55 -0.04 -0.02 0.00 1.84 0.00 0.00 41.12 43.45 1dql n ASP 82 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1dql s PHE 83 N -1.93 3.11 -0.05 1.24 0.40 -1.26 -4.91 117.98 114.58 1dql s PHE 83 Ca 0.36 1.14 -0.19 0.00 -0.60 0.00 0.00 56.93 57.64 1dql s PHE 83 Cb 0.19 -3.77 0.06 0.00 0.51 0.00 0.00 43.02 40.01 1dql s PHE 83 CO 0.30 -0.84 0.84 0.00 0.70 0.00 0.00 175.22 176.22 1dql n ALA 84 N 6.98 -2.42 -2.85 5.36 0.00 -1.22 -4.91 120.51 121.46 1dql n ALA 84 Ca 0.12 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.75 1dql n ALA 84 Cb 0.47 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 1dql n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dql s THR 85 N -2.02 5.43 -0.05 0.00 -4.23 -0.83 -2.13 115.64 111.80 1dql s THR 85 Ca 0.20 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.85 1dql s THR 85 Cb -0.00 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.32 1dql s THR 85 CO -0.01 0.47 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.07 1dql s TYR 86 N -1.18 2.67 0.03 3.99 1.51 0.14 -1.10 117.35 123.41 1dql s TYR 86 Ca 0.22 -0.23 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 1dql s TYR 86 Cb -0.13 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1dql s TYR 86 CO 0.12 0.13 -0.18 0.71 -1.11 0.00 0.00 175.55 175.21 1dql s TYR 87 N -0.62 1.62 -0.06 2.71 2.02 -0.09 -1.46 117.35 121.47 1dql s TYR 87 Ca 0.09 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1dql s TYR 87 Cb -0.11 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1dql s TYR 87 CO 0.01 0.06 -0.01 0.00 -1.57 0.00 0.00 175.55 174.04 1dql s LEU 89 N -1.05 2.05 -0.34 0.00 2.96 0.46 -2.16 118.68 120.60 1dql s LEU 89 Ca 0.15 -0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 53.33 1dql s LEU 89 Cb -0.11 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.22 1dql s LEU 89 CO 0.04 0.16 0.60 -1.58 -1.32 0.00 0.00 176.35 174.25 1dql s GLN 90 N 0.30 3.71 -0.18 1.98 -0.44 0.14 -2.01 119.66 123.16 1dql s GLN 90 Ca -0.17 0.04 0.16 0.00 -2.50 0.00 0.00 55.36 52.90 1dql s GLN 90 Cb -0.17 -3.79 0.46 0.00 -1.64 0.00 0.00 33.01 27.87 1dql s GLN 90 CO 0.08 -0.68 1.35 1.04 0.50 0.00 0.00 175.29 177.58 1dql n GLN 91 N 5.93 2.36 0.09 1.67 6.02 -0.58 -3.17 117.38 129.69 1dql n GLN 91 Ca -0.02 -2.82 -0.22 0.00 -0.01 0.00 0.00 57.00 53.93 1dql n GLN 91 Cb 0.49 -1.75 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 1dql n GLN 91 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1dql h ASN 92 N 1.24 0.86 0.00 1.08 -1.24 -1.85 -3.48 115.58 112.18 1dql h ASN 92 Ca 0.02 -0.79 0.00 0.00 0.71 0.00 0.00 56.30 56.25 1dql h ASN 92 Cb 1.35 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.13 1dql h ASN 92 CO 0.18 1.59 0.00 -0.24 -1.29 0.00 0.00 177.43 177.67 1dql n SER 93 N -3.78 0.00 -4.65 1.15 2.88 -1.26 -5.08 113.62 102.88 1dql n SER 93 Ca -0.13 0.00 -0.54 0.00 -1.33 0.00 0.00 58.87 56.86 1dql n SER 93 Cb 0.98 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.37 1dql n SER 93 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1dql n ASN 94 N 0.00 2.00 -4.64 -3.46 4.13 -1.26 -4.77 115.26 107.27 1dql n ASN 94 Ca 0.00 1.10 -0.54 0.00 1.68 0.00 0.00 54.58 56.82 1dql n ASN 94 Cb 0.00 -1.17 -0.06 0.00 -1.54 0.00 0.00 39.78 37.01 1dql n ASN 94 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1dql n TRP 95 N 3.87 1.75 -3.95 3.10 7.02 -1.26 -4.20 117.44 123.77 1dql n TRP 95 Ca 0.22 0.57 -0.12 0.00 -1.02 0.00 0.00 57.50 57.15 1dql n TRP 95 Cb 0.16 -2.39 -0.13 0.00 -2.42 0.00 0.00 31.31 26.53 1dql n TRP 95 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1dql s THR 96 N 1.69 0.12 0.54 -0.99 2.01 -1.19 -5.00 115.64 112.82 1dql s THR 96 Ca 0.89 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.61 1dql s THR 96 Cb -0.98 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1dql s THR 96 CO 0.53 -0.13 0.28 -0.36 -0.69 0.00 0.00 174.62 174.25 1dql s PHE 97 N -0.46 1.68 0.24 4.92 0.40 -1.26 -0.68 117.98 122.80 1dql s PHE 97 Ca -0.04 -0.89 0.06 0.00 -0.60 0.00 0.00 56.93 55.46 1dql s PHE 97 Cb -0.03 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1dql s PHE 97 CO -0.00 -0.26 0.25 0.20 0.70 0.00 0.00 175.22 176.10 1dql s GLY 98 N -4.16 1.37 0.53 4.36 0.00 -0.92 -4.22 107.32 104.29 1dql s GLY 98 Ca 0.25 -1.33 0.19 0.00 0.00 0.00 0.00 44.72 43.83 1dql s GLY 98 CO 0.15 -1.36 2.16 1.46 0.00 0.00 0.00 173.10 175.51 1dql h GLN 99 N 1.47 0.00 0.00 2.90 7.50 -1.87 -3.44 115.11 121.67 1dql h GLN 99 Ca -0.50 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.65 1dql h GLN 99 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.76 1dql h GLN 99 CO 0.61 0.02 0.00 0.41 -1.50 0.00 0.00 178.83 178.37 1dql n GLY 100 N -1.43 2.85 2.84 3.46 0.00 -1.26 -5.06 105.19 106.58 1dql n GLY 100 Ca -0.03 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1dql n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dql s THR 101 N -1.88 0.86 -0.23 2.61 2.01 -0.54 -4.46 115.64 114.01 1dql s THR 101 Ca 0.00 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 1dql s THR 101 Cb 0.00 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1dql s THR 101 CO 0.00 0.07 0.11 -1.59 -0.69 0.00 0.00 174.62 172.52 1dql s LYS 102 N 1.74 3.95 -0.29 4.92 -2.85 -1.00 0.24 119.74 126.45 1dql s LYS 102 Ca 0.01 -0.34 -0.10 0.00 -1.00 0.00 0.00 55.97 54.54 1dql s LYS 102 Cb -0.15 -3.41 -0.02 0.00 -2.06 0.00 0.00 37.83 32.19 1dql s LYS 102 CO -0.07 0.06 0.16 0.14 0.10 0.00 0.00 175.35 175.73 1dql s VAL 103 N 1.01 4.83 0.16 1.79 -7.23 -0.91 -2.65 120.40 117.40 1dql s VAL 103 Ca 0.06 -0.18 0.08 0.00 -1.81 0.00 0.00 61.98 60.12 1dql s VAL 103 Cb -0.14 -3.38 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1dql s VAL 103 CO 0.04 0.16 -0.17 1.51 -0.31 0.00 0.00 175.10 176.32 1dql s ASP 104 N 1.67 2.57 0.12 4.85 3.84 -1.02 -3.42 116.67 125.27 1dql s ASP 104 Ca 0.06 -0.87 -0.33 0.00 -0.00 0.00 0.00 52.55 51.41 1dql s ASP 104 Cb -0.16 -0.14 -0.18 0.00 -1.38 0.00 0.00 42.92 41.05 1dql s ASP 104 CO 0.08 -0.06 0.78 -0.38 -0.00 0.00 0.00 175.17 175.58 1dql n ILE 105 N 0.28 1.12 1.76 2.11 2.08 -1.26 -2.34 119.36 123.11 1dql n ILE 105 Ca -0.13 -0.28 0.14 0.00 0.56 0.00 0.00 62.75 63.04 1dql n ILE 105 Cb 0.57 -0.05 0.83 0.00 -0.75 0.00 0.00 39.64 40.25 1dql n ILE 105 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28