#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcx s GLN 2 N 0.00 0.28 -0.29 0.03 0.74 -1.26 -5.14 119.66 114.02 2gcx s GLN 2 Ca 0.00 0.56 0.03 0.00 0.05 0.00 0.00 55.36 56.00 2gcx s GLN 2 Cb 0.00 0.18 0.08 0.00 1.10 0.00 0.00 33.01 34.36 2gcx s GLN 2 CO 0.00 -0.07 -0.03 -0.06 -0.55 0.00 0.00 175.29 174.58 2gcx s PHE 3 N 1.68 3.28 0.18 1.67 0.40 -1.26 -5.11 117.98 118.82 2gcx s PHE 3 Ca -0.06 -2.49 0.05 0.00 -0.60 0.00 0.00 56.93 53.82 2gcx s PHE 3 Cb -0.04 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 2gcx s PHE 3 CO -0.15 -0.89 0.17 0.95 0.70 0.00 0.00 175.22 176.00 2gcx s THR 4 N 1.08 4.62 -0.93 0.64 -4.23 -1.26 -4.73 115.64 110.83 2gcx s THR 4 Ca -0.00 -1.08 -0.24 0.00 -1.18 0.00 0.00 61.69 59.19 2gcx s THR 4 Cb -0.19 -3.39 -0.00 0.00 1.34 0.00 0.00 72.50 70.25 2gcx s THR 4 CO -0.07 -0.15 1.71 -2.16 -0.54 0.00 0.00 174.62 173.40 2gcx s PRO 5 N -3.27 3.02 0.00 3.99 0.04 -1.26 -3.53 135.00 133.99 2gcx s PRO 5 Ca 0.32 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.76 2gcx s PRO 5 Cb -0.10 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2gcx s PRO 5 CO 0.25 -2.81 0.00 -0.40 0.04 0.00 0.00 177.00 174.08 2gcx n ASP 6 N 11.58 0.00 -4.91 6.66 5.68 -1.26 -5.07 116.55 129.22 2gcx n ASP 6 Ca 0.35 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.36 2gcx n ASP 6 Cb 0.49 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.43 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2gcx s SER 7 N 0.00 6.20 0.35 -1.12 0.01 -1.23 -5.04 113.70 112.88 2gcx s SER 7 Ca 0.00 0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.39 2gcx s SER 7 Cb 0.00 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 2gcx s SER 7 CO 0.00 0.09 0.59 0.00 0.41 0.00 0.00 173.24 174.33 2gcx s ALA 8 N -1.67 3.62 0.32 1.44 0.00 -1.26 -4.32 121.76 119.89 2gcx s ALA 8 Ca 0.34 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2gcx s ALA 8 Cb -0.11 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2gcx s ALA 8 CO 0.27 -0.01 0.25 -1.58 0.00 0.00 0.00 175.76 174.70 2gcx s TRP 9 N -2.33 1.69 -0.03 0.00 0.52 -0.92 -3.70 118.94 114.18 2gcx s TRP 9 Ca 0.42 -1.62 0.05 0.00 0.02 0.00 0.00 56.10 54.98 2gcx s TRP 9 Cb -0.10 -0.71 -0.01 0.00 -1.15 0.00 0.00 33.47 31.50 2gcx s TRP 9 CO 0.36 -0.82 -0.19 0.15 0.02 0.00 0.00 176.95 176.47 2gcx s LYS 10 N -3.55 1.70 -0.05 4.98 1.02 0.50 -1.48 119.74 122.86 2gcx s LYS 10 Ca 0.40 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 2gcx s LYS 10 Cb 0.03 -1.56 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 2gcx s LYS 10 CO 0.25 0.35 1.19 0.42 -0.92 0.00 0.00 175.35 176.64 2gcx s ILE 11 N -0.27 4.27 -0.30 2.17 1.01 0.39 -1.97 121.20 126.51 2gcx s ILE 11 Ca 0.03 1.60 0.19 0.00 0.00 0.00 0.00 60.65 62.47 2gcx s ILE 11 Cb -0.09 -4.03 0.48 0.00 0.01 0.00 0.00 42.46 38.83 2gcx s ILE 11 CO 0.01 0.01 1.00 0.41 0.00 0.00 0.00 174.94 176.37 2gcx n THR 12 N 4.53 1.10 -1.53 2.92 -1.04 0.92 0.13 114.28 121.31 2gcx n THR 12 Ca 0.11 -3.03 -0.14 0.00 -2.04 0.00 0.00 64.05 58.95 2gcx n THR 12 Cb 0.46 0.85 -0.10 0.00 -1.82 0.00 0.00 70.33 69.73 2gcx n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gcx n GLY 13 N -0.24 -0.27 2.61 3.41 0.00 -1.23 -1.59 105.19 107.87 2gcx n GLY 13 Ca 0.09 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 2gcx n GLY 13 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gcx s PHE 14 N 13.21 0.15 0.34 1.61 5.36 -1.26 -4.84 117.98 132.55 2gcx s PHE 14 Ca 0.89 -0.95 0.03 0.00 -0.96 0.00 0.00 56.93 55.94 2gcx s PHE 14 Cb -0.18 -0.71 0.06 0.00 -0.34 0.00 0.00 43.02 41.85 2gcx s PHE 14 CO 0.16 -0.88 0.46 0.43 -1.46 0.00 0.00 175.22 173.94 2gcx n SER 15 N 4.68 0.98 0.03 6.13 7.64 -1.26 -4.61 113.62 127.21 2gcx n SER 15 Ca 0.04 -1.74 -0.05 0.00 1.01 0.00 0.00 58.87 58.12 2gcx n SER 15 Cb 0.42 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 2gcx n SER 15 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2gcx h ARG 16 N 0.00 0.00 -0.01 1.43 -0.00 -2.01 -3.38 114.38 110.41 2gcx h ARG 16 Ca -0.16 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.15 2gcx h ARG 16 Cb 0.66 0.00 -0.38 0.00 0.00 0.00 0.00 29.97 30.25 2gcx h ARG 16 CO 0.20 0.64 -1.00 -3.47 0.00 0.00 0.00 179.97 176.33 2gcx n ASP 17 N -3.15 0.91 -4.31 7.04 2.03 -1.26 -5.12 116.55 112.69 2gcx n ASP 17 Ca -0.08 -2.00 -0.40 0.00 0.52 0.00 0.00 54.79 52.84 2gcx n ASP 17 Cb 0.94 -0.27 0.01 0.00 -0.72 0.00 0.00 41.12 41.08 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gcx n ILE 18 N 0.45 0.64 -4.13 5.18 3.06 -1.26 -4.98 119.36 118.32 2gcx n ILE 18 Ca 0.04 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.54 2gcx n ILE 18 Cb 1.12 -0.15 -0.06 0.00 0.54 0.00 0.00 39.64 41.09 2gcx n ILE 18 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2gcx s SER 19 N -1.02 5.30 0.47 9.51 0.01 -1.26 -5.02 113.70 121.68 2gcx s SER 19 Ca 0.60 -0.25 0.18 0.00 1.31 0.00 0.00 55.95 57.79 2gcx s SER 19 Cb -0.53 -1.30 1.12 0.00 0.21 0.00 0.00 66.02 65.52 2gcx s SER 19 CO 0.63 0.04 2.01 1.55 0.41 0.00 0.00 173.24 177.88 2gcx h PRO 20 N 2.20 0.00 -0.76 12.44 0.13 -1.96 -2.39 132.00 141.66 2gcx h PRO 20 Ca -0.47 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.83 2gcx h PRO 20 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 2gcx h PRO 20 CO 0.61 0.17 0.07 0.00 -0.23 0.00 0.00 178.00 178.62 2gcx h ALA 21 N 1.83 0.87 0.07 -0.56 0.00 -1.98 1.20 119.26 120.68 2gcx h ALA 21 Ca -0.00 0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 2gcx h ALA 21 Cb 0.33 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2gcx h ALA 21 CO 0.02 -0.41 -1.21 1.88 0.00 0.00 0.00 179.25 179.53 2gcx h TYR 22 N 0.15 0.26 0.49 0.00 -1.99 -1.95 -3.37 116.97 110.56 2gcx h TYR 22 Ca 0.43 -0.19 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 2gcx h TYR 22 Cb 0.76 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.46 2gcx h TYR 22 CO -0.36 1.47 -0.42 -0.09 -0.00 0.00 0.00 178.16 178.76 2gcx h ARG 23 N -0.58 -0.87 -1.30 4.88 9.65 -0.96 -1.93 114.38 123.28 2gcx h ARG 23 Ca -0.28 0.06 0.38 0.00 -1.10 0.00 0.00 59.98 59.03 2gcx h ARG 23 Cb 1.54 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 30.27 2gcx h ARG 23 CO -0.03 -0.58 1.09 1.96 2.80 0.00 0.00 179.97 185.21 2gcx h GLN 24 N -0.91 0.00 -0.57 0.20 1.08 0.13 0.75 115.11 115.79 2gcx h GLN 24 Ca -0.05 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2gcx h GLN 24 Cb 0.78 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 2gcx h GLN 24 CO -0.02 0.00 0.04 0.87 -0.95 0.00 0.00 178.83 178.77 2gcx h LYS 25 N 0.00 0.98 0.19 1.46 1.79 -1.50 -2.49 116.57 117.01 2gcx h LYS 25 Ca 0.62 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 2gcx h LYS 25 Cb 2.79 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 33.34 2gcx h LYS 25 CO -0.01 0.96 -0.09 -0.07 -1.08 0.00 0.00 179.45 179.16 2gcx h LEU 26 N 0.87 -0.22 -1.96 2.94 -0.00 0.49 -2.94 115.31 114.48 2gcx h LEU 26 Ca 0.17 -0.30 0.25 0.00 -0.00 0.00 0.00 57.88 57.99 2gcx h LEU 26 Cb 0.49 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 2gcx h LEU 26 CO 0.02 0.30 0.65 -0.07 -0.00 0.00 0.00 178.44 179.35 2gcx h LEU 27 N -0.88 0.00 -0.27 1.67 3.38 -1.53 0.75 115.31 118.44 2gcx h LEU 27 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2gcx h LEU 27 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2gcx h LEU 27 CO 0.04 0.00 -0.78 0.28 0.09 0.00 0.00 178.44 178.08 2gcx h SER 28 N 0.00 0.00 0.57 -0.43 0.02 -1.43 -3.27 113.55 109.01 2gcx h SER 28 Ca 0.40 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.19 2gcx h SER 28 Cb 1.71 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.22 2gcx h SER 28 CO -0.00 0.78 -1.56 0.18 -1.14 0.00 0.00 176.83 175.08 2gcx n LEU 29 N -3.46 0.68 0.00 5.07 4.77 0.20 -4.99 117.00 119.28 2gcx n LEU 29 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2gcx n LEU 29 Cb 0.79 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2gcx n LEU 29 CO 0.44 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2gcx n GLY 30 N 1.41 1.12 3.16 -0.72 0.00 0.20 -5.05 105.19 105.31 2gcx n GLY 30 Ca -0.11 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2gcx n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gcx s MET 31 N -1.03 2.83 0.55 1.61 -1.94 -1.11 -5.02 119.30 115.20 2gcx s MET 31 Ca 0.00 -2.51 -0.07 0.00 -1.71 0.00 0.00 55.69 51.40 2gcx s MET 31 Cb 0.00 -3.91 -0.03 0.00 2.01 0.00 0.00 34.83 32.90 2gcx s MET 31 CO 0.00 -1.20 0.89 -0.51 -0.01 0.00 0.00 175.02 174.19 2gcx s LEU 32 N 0.01 3.42 -0.36 -0.03 1.02 -1.26 -4.64 118.68 116.83 2gcx s LEU 32 Ca 0.17 1.07 -0.43 0.00 0.02 0.00 0.00 54.13 54.96 2gcx s LEU 32 Cb -0.18 -4.03 -0.17 0.00 0.02 0.00 0.00 46.19 41.83 2gcx s LEU 32 CO -0.05 -0.77 1.68 -2.65 0.02 0.00 0.00 176.35 174.58 2gcx n PRO 33 N -2.49 0.70 0.00 1.29 -0.02 -1.26 -2.96 135.00 130.25 2gcx n PRO 33 Ca 0.03 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2gcx n PRO 33 Cb 0.55 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2gcx n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gcx n GLY 34 N 4.07 1.78 3.99 -1.23 0.00 0.34 -4.96 105.19 109.18 2gcx n GLY 34 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 2gcx n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gcx s SER 35 N -2.00 4.87 0.26 1.61 0.15 -0.76 -4.82 113.70 113.01 2gcx s SER 35 Ca 0.00 -0.26 0.11 0.00 0.70 0.00 0.00 55.95 56.50 2gcx s SER 35 Cb 0.00 -0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 63.88 2gcx s SER 35 CO 0.00 -1.46 -0.13 -0.55 1.20 0.00 0.00 173.24 172.30 2gcx s SER 36 N -4.58 3.94 0.10 5.45 0.15 -1.26 0.15 113.70 117.64 2gcx s SER 36 Ca 0.62 -0.85 -0.27 0.00 0.70 0.00 0.00 55.95 56.15 2gcx s SER 36 Cb -0.08 -0.51 0.08 0.00 -1.71 0.00 0.00 66.02 63.80 2gcx s SER 36 CO 0.41 0.04 1.01 0.72 1.20 0.00 0.00 173.24 176.62 2gcx s PHE 37 N -2.28 -0.14 0.16 3.44 -0.71 -0.55 -4.73 117.98 113.17 2gcx s PHE 37 Ca 0.29 -0.10 0.11 0.00 -1.04 0.00 0.00 56.93 56.19 2gcx s PHE 37 Cb -0.06 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 2gcx s PHE 37 CO 0.16 -0.68 -0.25 -1.01 -1.34 0.00 0.00 175.22 172.10 2gcx s HIS 38 N -3.09 2.25 0.04 3.49 3.76 -0.67 -2.15 115.29 118.91 2gcx s HIS 38 Ca 0.12 -0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 54.43 2gcx s HIS 38 Cb -0.00 -1.16 -0.06 0.00 1.11 0.00 0.00 32.58 32.47 2gcx s HIS 38 CO -0.00 0.41 0.64 0.08 -0.85 0.00 0.00 174.74 175.01 2gcx s VAL 39 N -1.42 4.79 -0.25 -0.90 1.01 -1.26 -0.59 120.40 121.78 2gcx s VAL 39 Ca 0.17 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.52 2gcx s VAL 39 Cb -0.09 -3.98 -0.16 0.00 0.00 0.00 0.00 36.38 32.15 2gcx s VAL 39 CO 0.08 0.44 -0.23 0.52 0.00 0.00 0.00 175.10 175.92 2gcx n VAL 40 N 2.44 1.45 -3.55 2.92 0.31 -0.54 -4.66 118.33 116.71 2gcx n VAL 40 Ca -0.07 -0.55 -0.01 0.00 -0.01 0.00 0.00 64.34 63.70 2gcx n VAL 40 Cb 0.51 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 2gcx n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gcx s ARG 41 N -2.51 0.34 0.07 5.55 1.70 -1.26 -4.95 118.95 117.89 2gcx s ARG 41 Ca -0.34 0.68 0.01 0.00 -0.47 0.00 0.00 55.73 55.61 2gcx s ARG 41 Cb 0.09 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2gcx s ARG 41 CO 0.58 -0.09 -0.05 0.08 -1.08 0.00 0.00 175.30 174.74 2gcx s VAL 42 N 1.79 0.50 -0.21 4.99 1.01 -1.26 -3.96 120.40 123.26 2gcx s VAL 42 Ca -0.06 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.10 2gcx s VAL 42 Cb -0.05 -1.48 0.10 0.00 0.00 0.00 0.00 36.38 34.95 2gcx s VAL 42 CO -0.16 -0.86 0.23 0.00 0.00 0.00 0.00 175.10 174.31 2gcx s ALA 43 N -3.44 -0.31 0.47 5.51 0.00 -1.26 -4.89 121.76 117.84 2gcx s ALA 43 Ca 0.07 0.27 0.33 0.00 0.00 0.00 0.00 51.96 52.64 2gcx s ALA 43 Cb 0.04 -1.35 1.46 0.00 0.00 0.00 0.00 23.12 23.28 2gcx s ALA 43 CO -0.06 -1.22 1.65 -1.35 0.00 0.00 0.00 175.76 174.78 2gcx h PRO 44 N 8.30 0.09 -0.38 0.00 0.11 -1.97 0.64 132.00 138.79 2gcx h PRO 44 Ca -0.17 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.04 2gcx h PRO 44 Cb 1.15 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2gcx h PRO 44 CO 0.28 0.06 0.38 -0.07 -0.21 0.00 0.00 178.00 178.44 2gcx h LEU 45 N 0.09 0.00 0.00 2.35 3.38 -2.04 -3.45 115.31 115.65 2gcx h LEU 45 Ca 0.78 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.75 2gcx h LEU 45 Cb 2.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.39 2gcx h LEU 45 CO -0.27 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.87 2gcx n GLY 46 N -1.50 0.86 3.34 0.83 0.00 0.22 -5.17 105.19 103.77 2gcx n GLY 46 Ca 0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 2gcx n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gcx s ASP 47 N 0.00 0.35 -0.21 1.61 1.11 -1.22 -4.94 116.67 113.37 2gcx s ASP 47 Ca 0.00 -1.33 -0.25 0.00 0.18 0.00 0.00 52.55 51.15 2gcx s ASP 47 Cb 0.00 0.48 -0.01 0.00 1.07 0.00 0.00 42.92 44.47 2gcx s ASP 47 CO 0.00 -0.99 0.85 -2.16 1.18 0.00 0.00 175.17 174.04 2gcx s PRO 48 N -3.92 4.24 0.24 8.23 0.05 -1.26 -3.52 135.00 139.06 2gcx s PRO 48 Ca 0.34 1.01 0.07 0.00 0.05 0.00 0.00 61.00 62.47 2gcx s PRO 48 Cb 0.04 -3.61 -0.04 0.00 0.05 0.00 0.00 34.50 30.94 2gcx s PRO 48 CO 0.14 -0.43 0.17 0.54 0.05 0.00 0.00 177.00 177.46 2gcx s VAL 49 N 2.53 4.37 -0.11 -0.36 0.11 -0.18 -4.89 120.40 121.86 2gcx s VAL 49 Ca 0.37 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 2gcx s VAL 49 Cb -0.16 -3.33 -0.01 0.00 -1.53 0.00 0.00 36.38 31.34 2gcx s VAL 49 CO 0.10 -0.30 -0.15 -1.00 -3.33 0.00 0.00 175.10 170.42 2gcx s HIS 50 N -2.07 2.76 -0.08 1.54 3.76 -1.25 0.30 115.29 120.25 2gcx s HIS 50 Ca 0.32 -0.62 -0.04 0.00 -0.15 0.00 0.00 55.06 54.57 2gcx s HIS 50 Cb -0.08 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 2gcx s HIS 50 CO 0.24 -0.18 0.12 0.96 -0.85 0.00 0.00 174.74 175.03 2gcx s ILE 51 N 0.20 5.17 -0.38 0.60 -4.36 0.32 -1.47 121.20 121.28 2gcx s ILE 51 Ca -0.09 -0.03 -0.09 0.00 -0.26 0.00 0.00 60.65 60.19 2gcx s ILE 51 Cb -0.15 -3.29 0.05 0.00 1.25 0.00 0.00 42.46 40.32 2gcx s ILE 51 CO 0.05 0.52 0.19 -0.70 0.24 0.00 0.00 174.94 175.24 2gcx s GLU 52 N -1.27 2.67 0.00 0.37 2.56 0.24 0.05 118.70 123.32 2gcx s GLU 52 Ca 0.18 -1.24 0.00 0.00 0.00 0.00 0.00 54.97 53.91 2gcx s GLU 52 Cb -0.12 -3.65 0.00 0.00 2.00 0.00 0.00 34.13 32.36 2gcx s GLU 52 CO 0.08 -0.77 0.00 0.25 -0.56 0.00 0.00 175.26 174.26 2gcx n THR 53 N 4.90 0.00 -1.54 -1.70 -2.24 0.65 -1.67 114.28 112.69 2gcx n THR 53 Ca -0.11 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 2gcx n THR 53 Cb 0.45 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 2gcx n THR 53 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gcx n ARG 54 N -0.57 0.68 -2.52 -0.78 5.12 -1.26 -2.17 116.66 115.16 2gcx n ARG 54 Ca 0.00 -0.22 -0.14 0.00 -1.93 0.00 0.00 57.85 55.56 2gcx n ARG 54 Cb 0.00 -3.04 -0.00 0.00 -1.16 0.00 0.00 32.46 28.25 2gcx n ARG 54 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gcx n ARG 55 N 8.63 -2.35 -3.44 5.56 1.74 -1.26 -4.92 116.66 120.62 2gcx n ARG 55 Ca 0.46 0.63 -0.09 0.00 -0.77 0.00 0.00 57.85 58.08 2gcx n ARG 55 Cb 0.41 -5.25 -0.09 0.00 -1.02 0.00 0.00 32.46 26.52 2gcx n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gcx s VAL 56 N -2.69 -0.61 -0.42 1.55 1.01 -0.92 -5.12 120.40 113.20 2gcx s VAL 56 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 2gcx s VAL 56 Cb -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.62 2gcx s VAL 56 CO 0.05 -0.06 0.42 -0.55 0.00 0.00 0.00 175.10 174.95 2gcx s SER 57 N 2.56 6.18 0.30 3.32 0.15 -1.26 -0.25 113.70 124.71 2gcx s SER 57 Ca 0.09 -0.71 0.06 0.00 0.70 0.00 0.00 55.95 56.08 2gcx s SER 57 Cb -0.14 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 2gcx s SER 57 CO -0.15 -0.57 0.44 -0.76 1.20 0.00 0.00 173.24 173.40 2gcx s LEU 58 N 2.08 4.09 -0.03 3.45 1.43 0.11 -4.89 118.68 124.91 2gcx s LEU 58 Ca 0.11 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 2gcx s LEU 58 Cb -0.17 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 2gcx s LEU 58 CO 0.13 -0.31 -0.23 0.54 0.23 0.00 0.00 176.35 176.71 2gcx s VAL 59 N -2.12 1.87 -0.03 -1.59 0.11 -1.26 0.12 120.40 117.49 2gcx s VAL 59 Ca 0.41 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2gcx s VAL 59 Cb -0.09 -1.57 -0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2gcx s VAL 59 CO 0.31 0.53 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.69 2gcx s LEU 60 N -0.36 1.91 0.34 2.54 1.43 0.15 -4.95 118.68 119.73 2gcx s LEU 60 Ca 0.04 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 2gcx s LEU 60 Cb -0.11 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 2gcx s LEU 60 CO 0.01 0.14 0.74 -0.13 0.23 0.00 0.00 176.35 177.35 2gcx s ARG 61 N -0.01 3.96 0.54 1.70 0.52 -1.26 -1.01 118.95 123.39 2gcx s ARG 61 Ca -0.02 0.64 0.40 0.00 -0.52 0.00 0.00 55.73 56.23 2gcx s ARG 61 Cb -0.10 -2.42 1.60 0.00 0.52 0.00 0.00 34.95 34.55 2gcx s ARG 61 CO 0.01 0.12 1.73 1.57 0.02 0.00 0.00 175.30 178.76 2gcx h LYS 62 N 2.07 0.01 0.20 3.54 2.10 -1.92 0.45 116.57 123.02 2gcx h LYS 62 Ca -0.48 -0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 57.83 2gcx h LYS 62 Cb 1.18 -0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.52 2gcx h LYS 62 CO 0.65 0.01 -1.61 1.57 -2.00 0.00 0.00 179.45 178.06 2gcx h LYS 63 N 0.01 0.43 -0.20 0.07 2.10 -1.92 -3.31 116.57 113.76 2gcx h LYS 63 Ca 0.68 -0.73 0.06 0.00 -2.00 0.00 0.00 60.65 58.66 2gcx h LYS 63 Cb 2.71 0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 34.31 2gcx h LYS 63 CO -0.02 1.34 0.15 0.22 -2.00 0.00 0.00 179.45 179.13 2gcx h ASP 64 N 0.12 0.00 1.61 7.07 1.82 -0.49 0.78 116.42 127.33 2gcx h ASP 64 Ca -0.29 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2gcx h ASP 64 Cb 2.11 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.12 2gcx h ASP 64 CO 0.21 0.00 -0.02 -0.07 -1.61 0.00 0.00 179.24 177.75 2gcx h LEU 65 N 0.00 0.00 -1.14 2.28 4.07 -1.49 -2.79 115.31 116.23 2gcx h LEU 65 Ca 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2gcx h LEU 65 Cb 0.38 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 2gcx h LEU 65 CO -0.00 0.02 -0.07 0.00 -1.08 0.00 0.00 178.44 177.30 2gcx h ALA 66 N 1.98 1.00 0.00 1.53 0.00 -0.93 -3.33 119.26 119.50 2gcx h ALA 66 Ca -0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2gcx h ALA 66 Cb 0.83 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2gcx h ALA 66 CO 0.00 0.09 -1.70 1.28 0.00 0.00 0.00 179.25 178.93 2gcx n LEU 67 N -3.18 1.93 -4.75 0.00 4.77 -1.16 -4.98 117.00 109.63 2gcx n LEU 67 Ca 0.01 0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 56.01 2gcx n LEU 67 Cb 0.38 -0.81 0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2gcx n LEU 67 CO 0.30 0.16 0.81 0.27 -1.33 0.00 0.00 177.39 177.60 2gcx s ILE 68 N -2.61 2.69 0.07 -0.08 -4.36 -1.06 -4.20 121.20 111.64 2gcx s ILE 68 Ca -0.32 0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.47 2gcx s ILE 68 Cb 0.09 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 2gcx s ILE 68 CO 0.46 -0.14 0.09 -0.70 0.24 0.00 0.00 174.94 174.88 2gcx s GLU 69 N -3.65 2.94 -0.01 0.37 2.56 -0.62 -4.84 118.70 115.45 2gcx s GLU 69 Ca 0.74 -0.64 0.04 0.00 0.00 0.00 0.00 54.97 55.10 2gcx s GLU 69 Cb -0.28 -2.76 -0.01 0.00 2.00 0.00 0.00 34.13 33.08 2gcx s GLU 69 CO 0.38 0.58 -0.12 -0.51 -0.56 0.00 0.00 175.26 175.03 2gcx s LEU 70 N -2.29 2.00 -0.12 2.70 1.43 -1.26 -0.05 118.68 121.08 2gcx s LEU 70 Ca 0.29 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2gcx s LEU 70 Cb -0.12 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2gcx s LEU 70 CO 0.21 0.14 -0.17 -0.70 0.23 0.00 0.00 176.35 176.06 2gcx s GLU 71 N -0.24 3.26 0.88 1.70 2.12 -0.83 -4.92 118.70 120.66 2gcx s GLU 71 Ca 0.04 -0.76 -0.11 0.00 0.36 0.00 0.00 54.97 54.50 2gcx s GLU 71 Cb -0.05 -2.51 0.12 0.00 0.26 0.00 0.00 34.13 31.95 2gcx s GLU 71 CO -0.00 0.20 1.11 0.00 -0.54 0.00 0.00 175.26 176.02 2gcx s ALA 72 N 0.35 1.63 0.51 6.30 0.00 -1.26 -0.37 121.76 128.91 2gcx s ALA 72 Ca -0.14 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.20 2gcx s ALA 72 Cb -0.17 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.66 2gcx s ALA 72 CO 0.07 -2.41 0.51 0.14 0.00 0.00 0.00 175.76 174.08 2gcx s VAL 73 N -2.78 2.11 0.45 0.00 -7.23 -1.24 -4.77 120.40 106.93 2gcx s VAL 73 Ca 0.64 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 2gcx s VAL 73 Cb -0.20 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.39 2gcx s VAL 73 CO 0.58 0.00 0.40 0.00 -0.31 0.00 0.00 175.10 175.77 2gcx n ALA 74 N -1.85 0.75 -0.24 1.32 0.00 -1.26 -5.05 120.51 114.18 2gcx n ALA 74 Ca 0.05 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.73 2gcx n ALA 74 Cb 0.63 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.75 2gcx n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54