#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 0.93 -0.21 0.03 -0.21 -1.26 -5.15 119.66 113.79 2gcx s GLN 2 Ca 0.00 -1.44 -0.04 0.00 0.02 0.00 0.00 55.36 53.91 2gcx s GLN 2 Cb 0.00 0.17 0.10 0.00 1.00 0.00 0.00 33.01 34.28 2gcx s GLN 2 CO 0.00 -0.23 0.29 -0.59 -2.12 0.00 0.00 175.29 172.64 2gcx s PHE 3 N -3.98 -0.52 0.54 0.91 -0.71 -1.26 -5.15 117.98 107.80 2gcx s PHE 3 Ca 0.23 0.60 -0.16 0.00 -1.04 0.00 0.00 56.93 56.56 2gcx s PHE 3 Cb 0.07 -0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.66 2gcx s PHE 3 CO 0.01 -0.61 1.00 0.95 -1.34 0.00 0.00 175.22 175.23 2gcx s THR 4 N 2.43 4.48 -0.96 -4.49 -4.23 -1.26 -4.81 115.64 106.80 2gcx s THR 4 Ca 0.08 1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 61.48 2gcx s THR 4 Cb -0.15 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 2gcx s THR 4 CO -0.13 -0.74 1.74 -2.16 -0.54 0.00 0.00 174.62 172.79 2gcx s PRO 5 N -4.24 3.00 0.00 3.99 0.04 -1.26 -3.57 135.00 132.95 2gcx s PRO 5 Ca 0.59 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2gcx s PRO 5 Cb -0.11 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2gcx s PRO 5 CO 0.35 -2.90 0.00 -3.47 0.04 0.00 0.00 177.00 171.02 2gcx n ASP 6 N 11.83 0.00 -4.82 6.66 2.03 -1.26 -4.94 116.55 126.05 2gcx n ASP 6 Ca 0.37 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.32 2gcx n ASP 6 Cb 0.49 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.83 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gcx s SER 7 N 0.00 6.98 0.67 1.67 0.01 -1.23 -4.94 113.70 116.85 2gcx s SER 7 Ca 0.00 1.28 -0.12 0.00 1.31 0.00 0.00 55.95 58.42 2gcx s SER 7 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 2gcx s SER 7 CO 0.00 0.08 1.06 0.00 0.41 0.00 0.00 173.24 174.79 2gcx s ALA 8 N -1.46 2.71 0.07 1.44 0.00 -1.26 -4.23 121.76 119.02 2gcx s ALA 8 Ca 0.40 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 2gcx s ALA 8 Cb -0.16 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2gcx s ALA 8 CO 0.20 -1.09 0.16 -1.58 0.00 0.00 0.00 175.76 173.45 2gcx s TRP 9 N -2.90 0.17 -0.09 0.00 0.52 -0.93 -4.25 118.94 111.47 2gcx s TRP 9 Ca 0.59 -0.55 -0.01 0.00 0.02 0.00 0.00 56.10 56.16 2gcx s TRP 9 Cb -0.14 -0.10 -0.03 0.00 -1.15 0.00 0.00 33.47 32.05 2gcx s TRP 9 CO 0.50 -0.48 -0.04 0.15 0.02 0.00 0.00 176.95 177.11 2gcx s LYS 10 N -3.40 2.99 0.16 4.98 1.02 0.12 -0.91 119.74 124.70 2gcx s LYS 10 Ca 0.02 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 2gcx s LYS 10 Cb 0.03 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 2gcx s LYS 10 CO -0.08 0.61 0.93 0.42 -0.92 0.00 0.00 175.35 176.30 2gcx s ILE 11 N -0.65 4.34 -0.36 2.17 1.01 0.11 -1.07 121.20 126.75 2gcx s ILE 11 Ca 0.10 2.02 0.13 0.00 0.00 0.00 0.00 60.65 62.90 2gcx s ILE 11 Cb -0.12 -4.30 0.38 0.00 0.01 0.00 0.00 42.46 38.44 2gcx s ILE 11 CO 0.02 0.40 0.83 0.35 0.00 0.00 0.00 174.94 176.54 2gcx n THR 12 N 2.21 0.16 -1.87 2.92 -2.24 0.07 0.16 114.28 115.70 2gcx n THR 12 Ca -0.00 -3.90 -0.22 0.00 -2.27 0.00 0.00 64.05 57.66 2gcx n THR 12 Cb 0.48 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 2gcx n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gcx s GLY 13 N -2.52 -0.19 -0.33 3.38 0.00 -1.23 -1.48 107.32 104.94 2gcx s GLY 13 Ca 0.35 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.84 2gcx s GLY 13 CO -0.05 3.76 0.31 -0.12 0.00 0.00 0.00 173.10 177.01 2gcx s PHE 14 N 11.83 -0.22 0.07 1.90 5.36 -1.26 -4.70 117.98 130.95 2gcx s PHE 14 Ca 0.78 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2gcx s PHE 14 Cb -0.09 -0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 42.04 2gcx s PHE 14 CO 0.03 -0.93 0.19 -1.12 -1.46 0.00 0.00 175.22 171.93 2gcx s SER 15 N 1.80 6.23 0.63 6.13 0.01 -1.26 -4.69 113.70 122.56 2gcx s SER 15 Ca 0.14 0.22 0.30 0.00 1.31 0.00 0.00 55.95 57.91 2gcx s SER 15 Cb -0.16 -1.88 1.60 0.00 0.21 0.00 0.00 66.02 65.79 2gcx s SER 15 CO -0.17 0.16 1.94 0.08 0.41 0.00 0.00 173.24 175.67 2gcx h ARG 16 N 3.06 0.00 -0.11 12.44 -0.00 -2.00 -2.69 114.38 125.08 2gcx h ARG 16 Ca -0.45 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.35 2gcx h ARG 16 Cb 1.16 0.00 -0.28 0.00 -0.00 0.00 0.00 29.97 30.85 2gcx h ARG 16 CO 0.74 0.00 -0.72 -0.25 -0.00 0.00 0.00 179.97 179.74 2gcx n ASP 17 N -3.25 0.15 -4.37 0.08 8.00 -1.26 -5.13 116.55 110.76 2gcx n ASP 17 Ca 0.02 -2.05 -0.40 0.00 0.71 0.00 0.00 54.79 53.06 2gcx n ASP 17 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.57 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gcx n ILE 18 N -0.32 1.18 -3.61 0.53 3.06 -1.02 -4.97 119.36 114.22 2gcx n ILE 18 Ca -0.07 -0.50 -0.26 0.00 -2.50 0.00 0.00 62.75 59.42 2gcx n ILE 18 Cb 0.90 -0.31 -0.03 0.00 0.54 0.00 0.00 39.64 40.73 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 -1.03 6.37 0.34 9.51 0.01 -1.26 -4.99 113.70 122.65 2gcx s SER 19 Ca 0.62 0.43 0.08 0.00 1.31 0.00 0.00 55.95 58.39 2gcx s SER 19 Cb -0.55 -2.02 0.60 0.00 0.21 0.00 0.00 66.02 64.26 2gcx s SER 19 CO 0.60 -0.11 1.80 1.55 0.41 0.00 0.00 173.24 177.49 2gcx h PRO 20 N 1.69 0.24 -0.78 12.44 0.13 -1.96 -1.29 132.00 142.47 2gcx h PRO 20 Ca -0.48 -0.08 0.17 0.00 -0.87 0.00 0.00 66.00 64.73 2gcx h PRO 20 Cb 1.20 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 2gcx h PRO 20 CO 0.66 0.51 0.23 0.00 -0.23 0.00 0.00 178.00 179.17 2gcx h ALA 21 N 1.50 1.07 0.03 -0.56 0.00 -1.97 1.27 119.26 120.60 2gcx h ALA 21 Ca 0.03 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 2gcx h ALA 21 Cb 0.62 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2gcx h ALA 21 CO 0.04 -0.33 -0.90 1.88 0.00 0.00 0.00 179.25 179.95 2gcx h TYR 22 N 0.31 0.13 0.62 0.00 0.05 -1.95 -3.23 116.97 112.90 2gcx h TYR 22 Ca 0.45 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 59.11 2gcx h TYR 22 Cb 0.79 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2gcx h TYR 22 CO -0.23 1.35 -0.44 -0.09 -1.05 0.00 0.00 178.16 177.70 2gcx h ARG 23 N -0.80 -0.97 -0.93 4.88 9.65 -0.82 -2.33 114.38 123.06 2gcx h ARG 23 Ca -0.22 0.07 0.22 0.00 -1.10 0.00 0.00 59.98 58.94 2gcx h ARG 23 Cb 1.34 0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 30.07 2gcx h ARG 23 CO -0.06 -0.65 0.61 0.37 2.80 0.00 0.00 179.97 183.04 2gcx h GLN 24 N -1.01 0.37 -0.85 0.20 -0.00 0.14 0.51 115.11 114.47 2gcx h GLN 24 Ca -0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2gcx h GLN 24 Cb 0.82 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 28.18 2gcx h GLN 24 CO 0.05 0.24 0.51 -0.22 0.00 0.00 0.00 178.83 179.41 2gcx h LYS 25 N 0.38 1.15 0.08 1.69 3.64 -1.45 -2.33 116.57 119.73 2gcx h LYS 25 Ca 0.49 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2gcx h LYS 25 Cb 1.26 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2gcx h LYS 25 CO -0.18 0.80 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.69 2gcx h LEU 26 N 1.16 -0.09 -1.29 5.20 4.07 -0.48 -3.25 115.31 120.63 2gcx h LEU 26 Ca 0.30 -0.52 0.32 0.00 0.08 0.00 0.00 57.88 58.07 2gcx h LEU 26 Cb -0.05 0.02 -0.11 0.00 1.08 0.00 0.00 40.66 41.60 2gcx h LEU 26 CO -0.06 0.55 0.70 -0.07 -1.08 0.00 0.00 178.44 178.48 2gcx h LEU 27 N -0.82 0.42 -1.39 1.67 3.38 -1.27 1.14 115.31 118.43 2gcx h LEU 27 Ca -0.01 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2gcx h LEU 27 Cb 0.60 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2gcx h LEU 27 CO 0.02 -0.02 -0.18 0.77 0.09 0.00 0.00 178.44 179.11 2gcx h SER 28 N 0.31 0.00 0.25 -0.43 4.64 -1.47 -2.96 113.55 113.89 2gcx h SER 28 Ca 0.68 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.86 2gcx h SER 28 Cb 1.81 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.87 2gcx h SER 28 CO -0.39 0.18 -1.89 0.18 -0.87 0.00 0.00 176.83 174.04 2gcx n LEU 29 N -3.44 0.27 0.00 5.97 4.77 0.36 -4.99 117.00 119.94 2gcx n LEU 29 Ca -0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2gcx n LEU 29 Cb 0.36 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2gcx n LEU 29 CO 0.32 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2gcx n GLY 30 N 1.42 0.87 3.44 -0.72 0.00 0.90 -5.04 105.19 106.07 2gcx n GLY 30 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.99 3.57 0.35 1.61 -1.94 -1.14 -4.98 119.30 115.78 2gcx s MET 31 Ca 0.00 -1.74 0.01 0.00 -1.71 0.00 0.00 55.69 52.25 2gcx s MET 31 Cb 0.00 -4.85 -0.03 0.00 2.01 0.00 0.00 34.83 31.96 2gcx s MET 31 CO 0.00 -1.75 0.55 -0.51 -0.01 0.00 0.00 175.02 173.30 2gcx s LEU 32 N 2.65 3.99 -0.24 -0.03 1.02 -1.26 -4.52 118.68 120.29 2gcx s LEU 32 Ca 0.31 0.40 -0.41 0.00 0.02 0.00 0.00 54.13 54.45 2gcx s LEU 32 Cb -0.06 -3.26 -0.17 0.00 0.02 0.00 0.00 46.19 42.72 2gcx s LEU 32 CO -0.08 -0.33 1.58 -2.65 0.02 0.00 0.00 176.35 174.89 2gcx n PRO 33 N -1.79 0.77 0.00 1.29 -0.02 -1.26 -2.61 135.00 131.38 2gcx n PRO 33 Ca -0.04 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2gcx n PRO 33 Cb 0.56 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 3.60 1.60 3.96 -1.23 0.00 0.42 -4.95 105.19 108.60 2gcx n GLY 34 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 4.42 0.05 1.61 0.15 -0.61 -4.81 113.70 112.51 2gcx s SER 35 Ca 0.00 0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.81 2gcx s SER 35 Cb 0.00 -0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 2gcx s SER 35 CO 0.00 -1.83 -0.22 -0.55 1.20 0.00 0.00 173.24 171.84 2gcx s SER 36 N -4.65 2.64 0.32 5.45 0.15 -1.26 0.05 113.70 116.40 2gcx s SER 36 Ca 0.64 -0.54 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2gcx s SER 36 Cb -0.08 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.06 2gcx s SER 36 CO 0.45 0.18 0.61 2.22 1.20 0.00 0.00 173.24 177.91 2gcx n PHE 37 N 1.80 -2.03 -4.39 3.44 -1.74 -0.09 -4.70 117.46 109.75 2gcx n PHE 37 Ca -0.17 -1.53 -0.21 0.00 -0.56 0.00 0.00 57.45 54.97 2gcx n PHE 37 Cb 0.53 0.72 -0.16 0.00 1.52 0.00 0.00 39.48 42.09 2gcx n PHE 37 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 2gcx s HIS 38 N -3.49 1.04 0.15 2.97 2.46 -0.60 -2.20 115.29 115.61 2gcx s HIS 38 Ca 0.14 -0.31 -0.30 0.00 0.47 0.00 0.00 55.06 55.06 2gcx s HIS 38 Cb -0.04 -0.79 -0.07 0.00 -0.13 0.00 0.00 32.58 31.56 2gcx s HIS 38 CO 0.10 -0.17 1.01 0.54 -2.47 0.00 0.00 174.74 173.75 2gcx s VAL 39 N 0.52 4.22 -0.22 0.89 0.11 -1.26 -0.85 120.40 123.81 2gcx s VAL 39 Ca -0.09 1.90 -0.17 0.00 -2.93 0.00 0.00 61.98 60.69 2gcx s VAL 39 Cb -0.12 -4.21 -0.14 0.00 -1.53 0.00 0.00 36.38 30.38 2gcx s VAL 39 CO 0.01 0.32 -0.06 0.52 -3.33 0.00 0.00 175.10 172.56 2gcx n VAL 40 N 2.50 1.51 -3.70 2.04 0.31 -0.77 -4.15 118.33 116.07 2gcx n VAL 40 Ca 0.02 -0.09 -0.13 0.00 -0.01 0.00 0.00 64.34 64.13 2gcx n VAL 40 Cb 0.48 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 31.25 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 -2.44 0.57 0.08 5.55 1.70 -1.26 -4.79 118.95 118.36 2gcx s ARG 41 Ca -0.30 0.71 -0.11 0.00 -0.47 0.00 0.00 55.73 55.56 2gcx s ARG 41 Cb 0.08 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2gcx s ARG 41 CO 0.50 -0.08 0.25 0.08 -1.08 0.00 0.00 175.30 174.96 2gcx s VAL 42 N 0.38 0.12 0.02 4.99 1.01 -1.26 -4.06 120.40 121.59 2gcx s VAL 42 Ca -0.01 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.09 2gcx s VAL 42 Cb -0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2gcx s VAL 42 CO -0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 175.10 174.38 2gcx s ALA 43 N -3.43 1.56 0.23 5.51 0.00 -1.26 -4.79 121.76 119.58 2gcx s ALA 43 Ca 0.01 -0.92 0.33 0.00 0.00 0.00 0.00 51.96 51.38 2gcx s ALA 43 Cb 0.03 -0.33 1.44 0.00 0.00 0.00 0.00 23.12 24.26 2gcx s ALA 43 CO -0.09 0.35 2.02 -1.00 0.00 0.00 0.00 175.76 177.05 2gcx h PRO 44 N 5.17 0.00 0.00 0.00 0.13 -2.00 -3.28 132.00 132.02 2gcx h PRO 44 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2gcx h PRO 44 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2gcx h PRO 44 CO 0.45 0.06 -0.79 -0.07 -0.23 0.00 0.00 178.00 177.42 2gcx h LEU 45 N 0.00 0.00 0.00 1.56 -0.00 -2.05 -3.50 115.31 111.32 2gcx h LEU 45 Ca -0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2gcx h LEU 45 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2gcx h LEU 45 CO 0.01 1.04 0.00 0.61 -0.00 0.00 0.00 178.44 180.10 2gcx n GLY 46 N 1.55 1.20 3.47 0.83 0.00 -1.24 -5.18 105.19 105.82 2gcx n GLY 46 Ca -0.17 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 0.06 -0.28 1.61 1.11 -1.26 -4.96 116.67 112.94 2gcx s ASP 47 Ca 0.00 -1.10 -0.25 0.00 0.18 0.00 0.00 52.55 51.38 2gcx s ASP 47 Cb 0.00 0.53 0.00 0.00 1.07 0.00 0.00 42.92 44.53 2gcx s ASP 47 CO 0.00 -1.07 0.86 -2.16 1.18 0.00 0.00 175.17 173.98 2gcx s PRO 48 N -3.98 4.07 0.27 8.23 0.05 -1.26 -4.22 135.00 138.15 2gcx s PRO 48 Ca 0.28 0.82 0.07 0.00 0.05 0.00 0.00 61.00 62.22 2gcx s PRO 48 Cb 0.02 -3.70 -0.04 0.00 0.05 0.00 0.00 34.50 30.83 2gcx s PRO 48 CO 0.11 -0.66 0.19 0.54 0.05 0.00 0.00 177.00 177.23 2gcx s VAL 49 N 3.04 4.19 -0.05 -0.36 0.11 -0.73 -4.86 120.40 121.75 2gcx s VAL 49 Ca 0.36 -1.46 0.05 0.00 -2.93 0.00 0.00 61.98 58.00 2gcx s VAL 49 Cb -0.14 -3.30 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2gcx s VAL 49 CO 0.11 -0.33 -0.21 -1.00 -3.33 0.00 0.00 175.10 170.35 2gcx s HIS 50 N -2.18 2.01 -0.12 1.54 3.76 -1.26 -0.17 115.29 118.87 2gcx s HIS 50 Ca 0.34 -0.57 -0.06 0.00 -0.15 0.00 0.00 55.06 54.62 2gcx s HIS 50 Cb -0.07 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 2gcx s HIS 50 CO 0.25 -0.17 0.10 0.96 -0.85 0.00 0.00 174.74 175.02 2gcx s ILE 51 N -0.09 5.15 -0.36 0.60 -4.36 0.81 -1.84 121.20 121.11 2gcx s ILE 51 Ca -0.03 0.07 -0.07 0.00 -0.26 0.00 0.00 60.65 60.37 2gcx s ILE 51 Cb -0.12 -3.23 0.05 0.00 1.25 0.00 0.00 42.46 40.40 2gcx s ILE 51 CO 0.02 0.60 0.14 -1.61 0.24 0.00 0.00 174.94 174.34 2gcx s GLU 52 N -0.89 2.62 0.30 0.37 2.02 -0.03 -1.31 118.70 121.78 2gcx s GLU 52 Ca 0.14 -1.23 0.02 0.00 0.02 0.00 0.00 54.97 53.92 2gcx s GLU 52 Cb -0.12 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.59 2gcx s GLU 52 CO 0.03 -0.73 0.19 0.25 0.02 0.00 0.00 175.26 175.03 2gcx n THR 53 N 4.84 0.00 -1.52 3.63 -2.24 0.10 -1.56 114.28 117.53 2gcx n THR 53 Ca -0.12 -1.21 -0.22 0.00 -2.27 0.00 0.00 64.05 60.24 2gcx n THR 53 Cb 0.44 -0.18 -0.16 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.14 0.25 -3.34 -0.78 5.12 -1.26 -1.23 116.66 114.27 2gcx n ARG 54 Ca -0.03 -0.27 -0.24 0.00 -1.93 0.00 0.00 57.85 55.38 2gcx n ARG 54 Cb 0.34 -2.08 0.01 0.00 -1.16 0.00 0.00 32.46 29.58 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 7.11 -4.15 -3.44 5.56 5.12 -1.26 -4.95 116.66 120.65 2gcx n ARG 55 Ca 0.59 0.62 -0.10 0.00 -1.93 0.00 0.00 57.85 57.03 2gcx n ARG 55 Cb 0.25 -5.40 -0.09 0.00 -1.16 0.00 0.00 32.46 26.06 2gcx n ARG 55 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2gcx s VAL 56 N -3.05 -0.59 -0.40 1.55 1.01 -0.37 -5.12 120.40 113.43 2gcx s VAL 56 Ca 0.41 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 2gcx s VAL 56 Cb -0.21 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.47 2gcx s VAL 56 CO 0.51 -0.07 0.24 -0.55 0.00 0.00 0.00 175.10 175.22 2gcx s SER 57 N 2.54 5.72 0.20 3.32 0.15 -1.26 0.03 113.70 124.40 2gcx s SER 57 Ca 0.09 -1.24 0.05 0.00 0.70 0.00 0.00 55.95 55.56 2gcx s SER 57 Cb -0.15 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 2gcx s SER 57 CO -0.15 -0.47 0.22 -0.76 1.20 0.00 0.00 173.24 173.28 2gcx s LEU 58 N 1.51 3.99 -0.05 3.45 1.43 -0.43 -4.91 118.68 123.67 2gcx s LEU 58 Ca 0.02 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2gcx s LEU 58 Cb -0.21 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 2gcx s LEU 58 CO 0.05 0.01 0.11 0.54 0.23 0.00 0.00 176.35 177.28 2gcx s VAL 59 N -1.90 5.03 -0.08 -1.59 0.11 -1.26 -0.14 120.40 120.57 2gcx s VAL 59 Ca 0.33 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 2gcx s VAL 59 Cb -0.09 -3.26 0.04 0.00 -1.53 0.00 0.00 36.38 31.54 2gcx s VAL 59 CO 0.26 0.45 0.06 -0.76 -3.33 0.00 0.00 175.10 171.78 2gcx s LEU 60 N -1.47 0.29 0.56 2.54 1.43 0.76 -4.94 118.68 117.86 2gcx s LEU 60 Ca 0.20 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2gcx s LEU 60 Cb -0.12 -0.23 0.03 0.00 0.03 0.00 0.00 46.19 45.91 2gcx s LEU 60 CO 0.11 -0.26 0.80 -0.13 0.23 0.00 0.00 176.35 177.09 2gcx s ARG 61 N 2.12 2.53 0.58 1.70 0.52 -1.26 -1.77 118.95 123.37 2gcx s ARG 61 Ca 0.04 -0.72 0.32 0.00 -0.52 0.00 0.00 55.73 54.85 2gcx s ARG 61 Cb -0.13 -2.46 1.38 0.00 0.52 0.00 0.00 34.95 34.26 2gcx s ARG 61 CO -0.05 -0.75 1.69 1.57 0.02 0.00 0.00 175.30 177.78 2gcx h LYS 62 N 0.01 0.00 0.16 3.54 -0.00 -1.97 0.24 116.57 118.55 2gcx h LYS 62 Ca -0.42 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 59.94 2gcx h LYS 62 Cb 1.30 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.54 2gcx h LYS 62 CO 0.53 0.00 -1.42 1.57 -0.00 0.00 0.00 179.45 180.13 2gcx h LYS 63 N 0.00 0.33 -0.67 0.07 2.10 -1.96 -3.15 116.57 113.29 2gcx h LYS 63 Ca 0.45 -0.56 0.11 0.00 -2.00 0.00 0.00 60.65 58.64 2gcx h LYS 63 Cb 2.16 0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 33.66 2gcx h LYS 63 CO -0.00 1.27 0.44 -0.44 -2.00 0.00 0.00 179.45 178.72 2gcx h ASP 64 N -0.15 0.43 1.77 7.07 3.32 -0.89 0.90 116.42 128.86 2gcx h ASP 64 Ca -0.29 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 2gcx h ASP 64 Cb 1.88 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.35 2gcx h ASP 64 CO 0.13 0.25 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.60 2gcx h LEU 65 N 0.48 0.00 -2.38 1.55 4.07 -1.53 -3.18 115.31 114.31 2gcx h LEU 65 Ca 0.31 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.29 2gcx h LEU 65 Cb 0.58 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 2gcx h LEU 65 CO -0.10 0.11 0.05 0.00 -1.08 0.00 0.00 178.44 177.43 2gcx h ALA 66 N 1.89 1.63 0.00 1.53 0.00 -0.77 -3.29 119.26 120.25 2gcx h ALA 66 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gcx h ALA 66 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2gcx h ALA 66 CO 0.01 -0.08 -0.45 1.28 0.00 0.00 0.00 179.25 180.01 2gcx n LEU 67 N -3.88 0.93 -4.77 0.00 4.77 -1.23 -4.97 117.00 107.86 2gcx n LEU 67 Ca -0.02 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.76 2gcx n LEU 67 Cb 0.15 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2gcx n LEU 67 CO 0.28 -0.40 1.01 0.27 -1.33 0.00 0.00 177.39 177.21 2gcx s ILE 68 N -1.88 2.53 0.28 -0.08 -4.36 -1.20 -4.28 121.20 112.21 2gcx s ILE 68 Ca -0.13 0.52 -0.04 0.00 -0.26 0.00 0.00 60.65 60.74 2gcx s ILE 68 Cb 0.02 -3.32 -0.05 0.00 1.25 0.00 0.00 42.46 40.36 2gcx s ILE 68 CO 0.19 0.11 0.54 -0.70 0.24 0.00 0.00 174.94 175.32 2gcx s GLU 69 N -1.99 3.61 0.24 0.37 2.12 -0.55 -4.70 118.70 117.79 2gcx s GLU 69 Ca 0.52 -0.05 0.10 0.00 0.36 0.00 0.00 54.97 55.91 2gcx s GLU 69 Cb -0.41 -2.67 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 2gcx s GLU 69 CO 0.54 0.23 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.20 2gcx s LEU 70 N -3.57 2.86 0.04 2.70 2.96 -1.26 -0.75 118.68 121.65 2gcx s LEU 70 Ca 0.43 -0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 2gcx s LEU 70 Cb -0.11 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.15 2gcx s LEU 70 CO 0.30 0.05 0.18 -0.70 -1.32 0.00 0.00 176.35 174.86 2gcx s GLU 71 N -3.31 0.66 0.74 1.98 2.12 -0.23 -4.85 118.70 115.81 2gcx s GLU 71 Ca 0.28 -0.62 -0.09 0.00 0.36 0.00 0.00 54.97 54.90 2gcx s GLU 71 Cb -0.07 0.27 0.06 0.00 0.26 0.00 0.00 34.13 34.66 2gcx s GLU 71 CO 0.16 -0.19 1.08 0.00 -0.54 0.00 0.00 175.26 175.77 2gcx s ALA 72 N -2.47 2.94 0.53 6.30 0.00 -1.26 0.15 121.76 127.95 2gcx s ALA 72 Ca -0.06 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.23 2gcx s ALA 72 Cb -0.02 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.41 2gcx s ALA 72 CO -0.03 -1.41 0.72 1.33 0.00 0.00 0.00 175.76 176.37 2gcx n VAL 73 N -3.07 0.00 0.11 0.00 0.24 -1.26 -4.40 118.33 109.95 2gcx n VAL 73 Ca 0.08 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 2gcx n VAL 73 Cb 0.60 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2gcx n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gcx n ALA 74 N -2.48 3.00 -1.44 2.33 0.00 -1.26 -5.09 120.51 115.57 2gcx n ALA 74 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2gcx n ALA 74 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2gcx n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50