#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcx n GLN 2 N 0.00 1.00 -1.63 0.03 6.02 -1.26 -4.81 117.38 116.73 2gcx n GLN 2 Ca 0.00 0.20 -0.35 0.00 -0.01 0.00 0.00 57.00 56.84 2gcx n GLN 2 Cb 0.00 -2.64 -0.03 0.00 1.02 0.00 0.00 30.24 28.58 2gcx n GLN 2 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gcx s PHE 3 N 8.90 1.16 -0.02 1.08 0.08 -1.26 -4.94 117.98 122.97 2gcx s PHE 3 Ca 1.10 1.48 -0.03 0.00 0.12 0.00 0.00 56.93 59.60 2gcx s PHE 3 Cb -0.70 -3.65 -0.04 0.00 -0.57 0.00 0.00 43.02 38.07 2gcx s PHE 3 CO 0.42 -2.44 0.17 0.95 -0.10 0.00 0.00 175.22 174.22 2gcx s THR 4 N 11.93 5.40 -1.00 0.64 -4.23 -1.26 -4.72 115.64 122.40 2gcx s THR 4 Ca 0.93 -0.12 -0.24 0.00 -1.18 0.00 0.00 61.69 61.08 2gcx s THR 4 Cb -0.16 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 2gcx s THR 4 CO 0.24 0.37 1.92 -2.16 -0.54 0.00 0.00 174.62 174.45 2gcx s PRO 5 N -1.80 2.60 0.00 3.99 0.04 -1.26 -3.20 135.00 135.38 2gcx s PRO 5 Ca 0.25 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.67 2gcx s PRO 5 Cb -0.12 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2gcx s PRO 5 CO 0.16 -3.50 0.00 -0.40 0.04 0.00 0.00 177.00 173.31 2gcx n ASP 6 N 13.81 0.00 -4.90 6.66 5.75 -1.26 -5.00 116.55 131.60 2gcx n ASP 6 Ca 0.41 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.86 2gcx n ASP 6 Cb 0.47 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.51 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2gcx s SER 7 N 0.00 6.46 0.84 -1.12 0.15 -1.19 -5.01 113.70 113.82 2gcx s SER 7 Ca 0.00 0.49 -0.13 0.00 0.70 0.00 0.00 55.95 57.01 2gcx s SER 7 Cb 0.00 -2.06 0.10 0.00 -1.71 0.00 0.00 66.02 62.35 2gcx s SER 7 CO 0.00 0.20 1.20 0.00 1.20 0.00 0.00 173.24 175.83 2gcx s ALA 8 N -1.42 2.56 0.15 5.45 0.00 -1.26 -4.21 121.76 123.03 2gcx s ALA 8 Ca 0.32 -0.72 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 2gcx s ALA 8 Cb -0.13 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.10 2gcx s ALA 8 CO 0.20 -1.81 0.51 -1.58 0.00 0.00 0.00 175.76 173.08 2gcx s TRP 9 N -3.61 -0.33 -0.10 0.00 0.52 -0.84 -4.46 118.94 110.11 2gcx s TRP 9 Ca 0.64 0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.81 2gcx s TRP 9 Cb -0.10 0.41 -0.02 0.00 -1.15 0.00 0.00 33.47 32.61 2gcx s TRP 9 CO 0.50 -0.81 -0.10 0.15 0.02 0.00 0.00 176.95 176.71 2gcx s LYS 10 N -3.80 3.12 0.28 4.98 1.02 0.95 -0.53 119.74 125.77 2gcx s LYS 10 Ca 0.03 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 2gcx s LYS 10 Cb 0.00 -2.63 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 2gcx s LYS 10 CO -0.11 0.41 1.21 0.42 -0.92 0.00 0.00 175.35 176.37 2gcx s ILE 11 N -0.14 3.19 -0.31 2.17 1.01 0.20 -0.89 121.20 126.42 2gcx s ILE 11 Ca 0.00 1.14 0.18 0.00 0.00 0.00 0.00 60.65 61.97 2gcx s ILE 11 Cb -0.13 -3.73 0.46 0.00 0.01 0.00 0.00 42.46 39.07 2gcx s ILE 11 CO 0.03 0.25 1.19 0.41 0.00 0.00 0.00 174.94 176.81 2gcx n THR 12 N 1.40 0.78 -1.54 2.92 -1.04 0.20 0.17 114.28 117.18 2gcx n THR 12 Ca 0.01 -2.39 -0.17 0.00 -2.04 0.00 0.00 64.05 59.45 2gcx n THR 12 Cb 0.43 1.04 -0.13 0.00 -1.82 0.00 0.00 70.33 69.85 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 -0.64 -0.27 2.74 3.41 0.00 -1.21 -1.58 105.19 107.64 2gcx n GLY 13 Ca 0.01 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 9.41 -0.31 0.00 1.61 5.36 -1.26 -4.67 117.98 128.12 2gcx s PHE 14 Ca 1.08 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2gcx s PHE 14 Cb -0.41 -0.47 0.00 0.00 -0.34 0.00 0.00 43.02 41.80 2gcx s PHE 14 CO 0.27 -0.94 0.00 0.43 -1.46 0.00 0.00 175.22 173.52 2gcx n SER 15 N 4.75 0.00 0.13 6.13 7.64 -1.25 -4.56 113.62 126.45 2gcx n SER 15 Ca 0.05 -0.96 0.05 0.00 1.01 0.00 0.00 58.87 59.02 2gcx n SER 15 Cb 0.45 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 1.43 -0.00 -1.99 -3.40 114.38 110.42 2gcx h ARG 16 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.35 2gcx h ARG 16 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 29.85 2gcx h ARG 16 CO 0.00 0.29 -0.22 -3.47 0.00 0.00 0.00 179.97 176.57 2gcx n ASP 17 N -3.06 -1.09 -4.61 7.04 2.03 -1.26 -5.12 116.55 110.49 2gcx n ASP 17 Ca -0.00 -1.89 -0.58 0.00 0.52 0.00 0.00 54.79 52.84 2gcx n ASP 17 Cb 0.69 0.48 -0.08 0.00 -0.72 0.00 0.00 41.12 41.49 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 -0.96 0.20 -1.35 5.18 3.06 -1.26 -4.89 119.36 119.33 2gcx n ILE 18 Ca -0.16 -0.07 -0.33 0.00 -2.50 0.00 0.00 62.75 59.68 2gcx n ILE 18 Cb 0.76 -1.08 0.10 0.00 0.54 0.00 0.00 39.64 39.96 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 4.47 4.18 0.51 9.51 0.01 -1.26 -4.82 113.70 126.30 2gcx s SER 19 Ca 1.05 2.20 0.23 0.00 1.31 0.00 0.00 55.95 60.74 2gcx s SER 19 Cb -1.17 -2.57 1.37 0.00 0.21 0.00 0.00 66.02 63.86 2gcx s SER 19 CO 0.66 -2.26 2.08 1.55 0.41 0.00 0.00 173.24 175.68 2gcx h PRO 20 N -0.59 0.00 -0.69 12.44 0.13 -1.97 -2.35 132.00 138.97 2gcx h PRO 20 Ca -0.46 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.81 2gcx h PRO 20 Cb 1.27 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 2gcx h PRO 20 CO 0.49 0.11 0.17 0.00 -0.23 0.00 0.00 178.00 178.54 2gcx h ALA 21 N 1.89 0.87 0.18 -0.56 0.00 -1.98 1.28 119.26 120.93 2gcx h ALA 21 Ca -0.00 0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.71 2gcx h ALA 21 Cb 0.26 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2gcx h ALA 21 CO 0.01 -0.32 -1.77 1.88 0.00 0.00 0.00 179.25 179.06 2gcx h TYR 22 N 0.28 0.69 0.68 0.00 0.05 -1.88 -3.35 116.97 113.44 2gcx h TYR 22 Ca 0.38 -0.51 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 2gcx h TYR 22 Cb 0.61 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 38.33 2gcx h TYR 22 CO -0.25 1.68 -0.32 -0.09 -1.05 0.00 0.00 178.16 178.13 2gcx h ARG 23 N 0.10 -0.87 -1.37 4.88 9.65 -0.95 -2.99 114.38 122.84 2gcx h ARG 23 Ca -0.35 0.06 0.40 0.00 -1.10 0.00 0.00 59.98 58.99 2gcx h ARG 23 Cb 2.09 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 30.82 2gcx h ARG 23 CO 0.17 -0.56 1.11 0.37 2.80 0.00 0.00 179.97 183.87 2gcx h GLN 24 N -1.17 0.00 -0.46 0.20 4.15 0.14 0.78 115.11 118.76 2gcx h GLN 24 Ca -0.09 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 2gcx h GLN 24 Cb 0.72 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 2gcx h GLN 24 CO 0.15 0.00 -0.00 0.87 -1.93 0.00 0.00 178.83 177.92 2gcx h LYS 25 N 0.00 0.75 0.10 1.69 1.57 -1.66 -2.95 116.57 116.07 2gcx h LYS 25 Ca 0.65 -0.19 -0.15 0.00 -1.87 0.00 0.00 60.65 59.08 2gcx h LYS 25 Cb 2.87 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 35.10 2gcx h LYS 25 CO -0.01 0.76 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.91 2gcx h LEU 26 N 0.70 0.40 -1.79 2.94 4.07 0.50 -3.27 115.31 118.86 2gcx h LEU 26 Ca 0.14 -0.93 0.14 0.00 0.08 0.00 0.00 57.88 57.31 2gcx h LEU 26 Cb 0.43 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 2gcx h LEU 26 CO 0.02 1.30 0.58 -0.07 -1.08 0.00 0.00 178.44 179.19 2gcx h LEU 27 N -0.44 0.00 -0.32 1.67 3.38 -1.42 -0.11 115.31 118.07 2gcx h LEU 27 Ca -0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2gcx h LEU 27 Cb 1.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 2gcx h LEU 27 CO 0.12 0.00 0.12 0.28 0.09 0.00 0.00 178.44 179.05 2gcx h SER 28 N 0.00 0.14 1.03 -0.43 0.02 -1.56 -2.72 113.55 110.03 2gcx h SER 28 Ca 0.23 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2gcx h SER 28 Cb 1.40 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.93 2gcx h SER 28 CO -0.00 0.11 -1.03 -0.07 -1.14 0.00 0.00 176.83 174.70 2gcx h LEU 29 N 0.26 0.00 0.00 5.07 4.07 -1.26 -3.48 115.31 119.97 2gcx h LEU 29 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2gcx h LEU 29 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2gcx h LEU 29 CO -0.14 0.51 0.00 0.61 -1.08 0.00 0.00 178.44 178.33 2gcx n GLY 30 N 1.31 1.42 3.37 0.83 0.00 -0.59 -5.05 105.19 106.49 2gcx n GLY 30 Ca -0.04 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.51 3.07 0.40 1.61 -1.94 -1.20 -5.01 119.30 114.72 2gcx s MET 31 Ca 0.00 -1.41 -0.02 0.00 -1.71 0.00 0.00 55.69 52.55 2gcx s MET 31 Cb 0.00 -4.29 -0.03 0.00 2.01 0.00 0.00 34.83 32.51 2gcx s MET 31 CO 0.00 -1.52 0.64 -0.51 -0.01 0.00 0.00 175.02 173.62 2gcx s LEU 32 N 2.50 3.86 -0.46 -0.03 1.02 -1.26 -4.68 118.68 119.64 2gcx s LEU 32 Ca 0.11 0.64 -0.44 0.00 0.02 0.00 0.00 54.13 54.47 2gcx s LEU 32 Cb -0.24 -3.54 -0.18 0.00 0.02 0.00 0.00 46.19 42.25 2gcx s LEU 32 CO 0.05 -0.40 1.92 -2.65 0.02 0.00 0.00 176.35 175.28 2gcx n PRO 33 N -1.95 0.27 0.00 1.29 -0.02 -1.26 -2.99 135.00 130.33 2gcx n PRO 33 Ca -0.03 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2gcx n PRO 33 Cb 0.56 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 5.82 2.00 3.99 -1.23 0.00 0.44 -4.92 105.19 111.28 2gcx n GLY 34 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 4.97 0.08 1.61 0.15 -0.66 -4.84 113.70 113.02 2gcx s SER 35 Ca 0.00 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.42 2gcx s SER 35 Cb 0.00 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2gcx s SER 35 CO 0.00 -1.38 -0.24 -0.44 1.20 0.00 0.00 173.24 172.38 2gcx s SER 36 N -4.56 3.40 0.10 5.45 0.01 -1.26 0.60 113.70 117.44 2gcx s SER 36 Ca 0.61 -0.61 -0.06 0.00 1.31 0.00 0.00 55.95 57.20 2gcx s SER 36 Cb -0.08 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 65.83 2gcx s SER 36 CO 0.40 0.22 0.31 2.22 0.41 0.00 0.00 173.24 176.80 2gcx n PHE 37 N 1.34 -1.19 -4.14 2.43 -1.74 0.31 -4.77 117.46 109.70 2gcx n PHE 37 Ca -0.17 -0.55 -0.09 0.00 -0.56 0.00 0.00 57.45 56.08 2gcx n PHE 37 Cb 0.52 0.27 -0.10 0.00 1.52 0.00 0.00 39.48 41.70 2gcx n PHE 37 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 2gcx s HIS 38 N -5.76 0.78 -0.19 2.97 3.76 -0.63 -1.99 115.29 114.23 2gcx s HIS 38 Ca 0.07 -0.96 -0.09 0.00 -0.15 0.00 0.00 55.06 53.92 2gcx s HIS 38 Cb -0.01 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.15 2gcx s HIS 38 CO 0.03 -0.22 0.12 0.14 -0.85 0.00 0.00 174.74 173.96 2gcx s VAL 39 N -3.71 5.33 -0.19 -0.90 -7.23 -1.26 -1.24 120.40 111.20 2gcx s VAL 39 Ca 0.10 0.16 -0.19 0.00 -1.81 0.00 0.00 61.98 60.24 2gcx s VAL 39 Cb 0.06 -3.41 -0.21 0.00 0.56 0.00 0.00 36.38 33.38 2gcx s VAL 39 CO -0.06 0.47 0.26 0.58 -0.31 0.00 0.00 175.10 176.04 2gcx h VAL 40 N 4.60 0.89 -0.91 1.32 2.07 -1.69 -3.39 116.25 119.14 2gcx h VAL 40 Ca -0.42 -2.22 0.18 0.00 0.82 0.00 0.00 66.70 65.06 2gcx h VAL 40 Cb 1.16 2.31 -0.25 0.00 -1.52 0.00 0.00 31.29 32.99 2gcx h VAL 40 CO 0.73 0.43 0.29 0.00 0.02 0.00 0.00 177.57 179.04 2gcx s ARG 41 N -2.40 0.25 0.10 1.57 1.70 -1.26 -4.86 118.95 114.06 2gcx s ARG 41 Ca -0.27 0.62 -0.10 0.00 -0.47 0.00 0.00 55.73 55.51 2gcx s ARG 41 Cb 0.06 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2gcx s ARG 41 CO 0.63 -0.08 0.22 0.54 -1.08 0.00 0.00 175.30 175.53 2gcx s VAL 42 N 2.30 0.13 0.02 4.99 0.11 -1.26 -3.80 120.40 122.88 2gcx s VAL 42 Ca -0.03 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 57.94 2gcx s VAL 42 Cb -0.05 -1.38 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 2gcx s VAL 42 CO -0.17 -0.57 -0.15 0.00 -3.33 0.00 0.00 175.10 170.88 2gcx s ALA 43 N -3.87 1.26 0.64 1.54 0.00 -1.26 -4.69 121.76 115.38 2gcx s ALA 43 Ca 0.06 -0.76 0.38 0.00 0.00 0.00 0.00 51.96 51.64 2gcx s ALA 43 Cb 0.04 -0.26 2.13 0.00 0.00 0.00 0.00 23.12 25.03 2gcx s ALA 43 CO -0.10 0.28 2.29 -1.35 0.00 0.00 0.00 175.76 176.88 2gcx h PRO 44 N 5.34 0.00 0.00 0.00 0.11 -1.99 -3.24 132.00 132.22 2gcx h PRO 44 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2gcx h PRO 44 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2gcx h PRO 44 CO 0.46 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.53 2gcx n LEU 45 N -3.40 0.77 0.00 2.35 4.77 -1.26 -5.01 117.00 115.22 2gcx n LEU 45 Ca -0.03 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2gcx n LEU 45 Cb 0.11 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2gcx n LEU 45 CO 0.23 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2gcx n GLY 46 N 1.28 -1.06 3.25 -0.72 0.00 -1.22 -5.06 105.19 101.65 2gcx n GLY 46 Ca 0.00 0.83 -0.14 0.00 0.00 0.00 0.00 46.02 46.71 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 0.69 -0.32 1.61 1.11 -1.26 -4.96 116.67 113.53 2gcx s ASP 47 Ca 0.00 -1.45 -0.25 0.00 0.18 0.00 0.00 52.55 51.03 2gcx s ASP 47 Cb 0.00 0.36 0.01 0.00 1.07 0.00 0.00 42.92 44.35 2gcx s ASP 47 CO 0.00 -0.85 0.88 -2.16 1.18 0.00 0.00 175.17 174.22 2gcx s PRO 48 N -4.02 3.96 -0.06 8.23 0.05 -1.26 -3.19 135.00 138.70 2gcx s PRO 48 Ca 0.39 0.69 0.02 0.00 0.05 0.00 0.00 61.00 62.14 2gcx s PRO 48 Cb 0.06 -3.74 -0.03 0.00 0.05 0.00 0.00 34.50 30.84 2gcx s PRO 48 CO 0.15 -0.78 -0.09 0.54 0.05 0.00 0.00 177.00 176.87 2gcx s VAL 49 N 3.20 3.49 -0.19 -0.36 0.11 0.29 -4.82 120.40 122.13 2gcx s VAL 49 Ca 0.36 -0.56 -0.09 0.00 -2.93 0.00 0.00 61.98 58.77 2gcx s VAL 49 Cb -0.13 -2.41 -0.05 0.00 -1.53 0.00 0.00 36.38 32.26 2gcx s VAL 49 CO 0.14 0.60 0.10 -1.00 -3.33 0.00 0.00 175.10 171.61 2gcx s HIS 50 N -0.78 3.35 0.06 1.54 3.76 -1.26 -0.14 115.29 121.82 2gcx s HIS 50 Ca 0.12 0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 55.21 2gcx s HIS 50 Cb -0.11 -2.11 -0.05 0.00 1.11 0.00 0.00 32.58 31.43 2gcx s HIS 50 CO 0.01 0.27 0.29 0.96 -0.85 0.00 0.00 174.74 175.42 2gcx s ILE 51 N 0.25 5.27 -0.23 0.60 -4.36 0.16 -1.65 121.20 121.25 2gcx s ILE 51 Ca 0.06 0.04 -0.05 0.00 -0.26 0.00 0.00 60.65 60.45 2gcx s ILE 51 Cb -0.12 -3.60 -0.01 0.00 1.25 0.00 0.00 42.46 39.99 2gcx s ILE 51 CO -0.01 0.23 -0.02 -0.70 0.24 0.00 0.00 174.94 174.69 2gcx s GLU 52 N -2.15 3.42 0.00 0.37 2.56 -0.37 -0.41 118.70 122.12 2gcx s GLU 52 Ca 0.33 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.69 2gcx s GLU 52 Cb -0.13 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.92 2gcx s GLU 52 CO 0.21 -0.20 0.00 0.25 -0.56 0.00 0.00 175.26 174.95 2gcx n THR 53 N 4.82 0.00 -1.52 -1.70 -2.24 0.35 -1.61 114.28 112.38 2gcx n THR 53 Ca -0.18 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2gcx n THR 53 Cb 0.51 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.00 0.37 -3.39 -0.78 5.12 -1.26 -2.05 116.66 114.67 2gcx n ARG 54 Ca 0.00 -0.11 -0.21 0.00 -1.93 0.00 0.00 57.85 55.60 2gcx n ARG 54 Cb 0.00 -2.26 -0.03 0.00 -1.16 0.00 0.00 32.46 29.02 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 8.17 -2.41 -3.65 5.56 1.74 -1.26 -4.88 116.66 119.94 2gcx n ARG 55 Ca 0.56 0.22 -0.04 0.00 -0.77 0.00 0.00 57.85 57.82 2gcx n ARG 55 Cb 0.25 -4.82 -0.06 0.00 -1.02 0.00 0.00 32.46 26.82 2gcx n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2gcx s VAL 56 N -2.70 -0.49 -0.34 1.55 0.11 -0.87 -5.13 120.40 112.52 2gcx s VAL 56 Ca 0.38 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.34 2gcx s VAL 56 Cb -0.21 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 2gcx s VAL 56 CO 0.47 0.00 0.15 -0.55 -3.33 0.00 0.00 175.10 171.84 2gcx s SER 57 N 2.26 5.50 0.60 3.54 0.15 -1.26 -0.49 113.70 124.01 2gcx s SER 57 Ca -0.08 -0.84 -0.00 0.00 0.70 0.00 0.00 55.95 55.73 2gcx s SER 57 Cb -0.08 -1.97 0.05 0.00 -1.71 0.00 0.00 66.02 62.31 2gcx s SER 57 CO -0.19 -0.29 0.85 -0.76 1.20 0.00 0.00 173.24 174.04 2gcx s LEU 58 N 1.54 3.15 -0.07 3.45 1.43 0.46 -4.85 118.68 123.79 2gcx s LEU 58 Ca 0.02 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2gcx s LEU 58 Cb -0.18 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2gcx s LEU 58 CO 0.05 -1.33 -0.20 0.54 0.23 0.00 0.00 176.35 175.64 2gcx s VAL 59 N -2.90 1.71 0.19 -1.59 0.11 -1.26 0.39 120.40 117.05 2gcx s VAL 59 Ca 0.59 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2gcx s VAL 59 Cb -0.10 -1.48 -0.05 0.00 -1.53 0.00 0.00 36.38 33.23 2gcx s VAL 59 CO 0.40 0.48 0.04 -0.76 -3.33 0.00 0.00 175.10 171.94 2gcx s LEU 60 N 0.24 1.88 0.07 2.54 1.43 0.80 -4.95 118.68 120.68 2gcx s LEU 60 Ca -0.11 -1.25 0.08 0.00 -1.03 0.00 0.00 54.13 51.82 2gcx s LEU 60 Cb -0.15 0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.08 2gcx s LEU 60 CO 0.05 -0.65 -0.22 -0.13 0.23 0.00 0.00 176.35 175.63 2gcx s ARG 61 N -3.98 1.38 0.60 1.70 0.52 -1.26 -0.55 118.95 117.36 2gcx s ARG 61 Ca 0.29 -1.07 0.28 0.00 -0.52 0.00 0.00 55.73 54.70 2gcx s ARG 61 Cb 0.07 -1.59 1.37 0.00 0.52 0.00 0.00 34.95 35.32 2gcx s ARG 61 CO 0.07 0.39 1.78 -0.22 0.02 0.00 0.00 175.30 177.34 2gcx h LYS 62 N 4.53 0.00 0.00 3.54 1.63 -1.92 1.01 116.57 125.35 2gcx h LYS 62 Ca -0.45 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.14 2gcx h LYS 62 Cb 1.16 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 2gcx h LYS 62 CO 0.42 0.00 -0.99 1.57 -3.45 0.00 0.00 179.45 177.00 2gcx h LYS 63 N 0.00 0.00 0.16 1.90 2.10 -1.95 -3.24 116.57 115.54 2gcx h LYS 63 Ca 0.24 -0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.59 2gcx h LYS 63 Cb 1.46 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.80 2gcx h LYS 63 CO -0.00 0.99 -1.40 0.22 -2.00 0.00 0.00 179.45 177.26 2gcx h ASP 64 N 0.00 0.53 0.15 7.07 3.58 0.55 -3.25 116.42 125.05 2gcx h ASP 64 Ca -0.01 -0.61 -0.00 0.00 0.42 0.00 0.00 57.03 56.82 2gcx h ASP 64 Cb 1.76 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.64 2gcx h ASP 64 CO 0.13 1.49 -0.02 -0.07 -2.88 0.00 0.00 179.24 177.89 2gcx h LEU 65 N 0.09 0.00 -1.59 2.28 4.07 -1.02 -2.22 115.31 116.93 2gcx h LEU 65 Ca -0.20 0.00 0.14 0.00 0.08 0.00 0.00 57.88 57.90 2gcx h LEU 65 Cb 2.04 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.73 2gcx h LEU 65 CO 0.21 0.02 0.49 0.00 -1.08 0.00 0.00 178.44 178.08 2gcx h ALA 66 N 1.98 2.10 0.08 1.53 0.00 -1.59 -3.02 119.26 120.34 2gcx h ALA 66 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gcx h ALA 66 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2gcx h ALA 66 CO 0.00 -0.29 -0.04 -0.07 0.00 0.00 0.00 179.25 178.85 2gcx h LEU 67 N 0.42 -0.10-10.04 0.00 3.38 -1.62 -3.46 115.31 103.90 2gcx h LEU 67 Ca 0.35 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.80 2gcx h LEU 67 Cb 0.79 0.02 0.10 0.00 0.09 0.00 0.00 40.66 41.67 2gcx h LEU 67 CO -0.11 0.24 0.53 0.27 0.09 0.00 0.00 178.44 179.46 2gcx s ILE 68 N -1.82 2.65 0.01 1.22 -4.36 -1.14 -3.95 121.20 113.81 2gcx s ILE 68 Ca -0.02 0.48 -0.04 0.00 -0.26 0.00 0.00 60.65 60.81 2gcx s ILE 68 Cb 0.00 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 2gcx s ILE 68 CO 0.05 -0.02 0.22 -0.70 0.24 0.00 0.00 174.94 174.73 2gcx s GLU 69 N -2.88 3.49 0.12 0.37 2.12 -0.61 -4.82 118.70 116.48 2gcx s GLU 69 Ca 0.69 -0.24 0.09 0.00 0.36 0.00 0.00 54.97 55.86 2gcx s GLU 69 Cb -0.33 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2gcx s GLU 69 CO 0.39 0.65 -0.19 -0.51 -0.54 0.00 0.00 175.26 175.07 2gcx s LEU 70 N -1.96 2.67 0.08 2.70 2.01 -1.26 0.62 118.68 123.53 2gcx s LEU 70 Ca 0.29 -0.57 0.06 0.00 0.01 0.00 0.00 54.13 53.91 2gcx s LEU 70 Cb -0.13 -1.52 -0.03 0.00 0.01 0.00 0.00 46.19 44.52 2gcx s LEU 70 CO 0.19 0.18 -0.15 -0.70 1.01 0.00 0.00 176.35 176.88 2gcx s GLU 71 N -2.12 0.87 0.74 1.70 2.56 -0.07 -4.92 118.70 117.46 2gcx s GLU 71 Ca 0.18 -1.00 -0.08 0.00 0.00 0.00 0.00 54.97 54.07 2gcx s GLU 71 Cb -0.11 -0.90 0.08 0.00 2.00 0.00 0.00 34.13 35.20 2gcx s GLU 71 CO 0.10 0.20 1.06 0.00 -0.56 0.00 0.00 175.26 176.06 2gcx s ALA 72 N -1.30 3.06 0.98 6.30 0.00 -1.26 -0.03 121.76 129.51 2gcx s ALA 72 Ca -0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 2gcx s ALA 72 Cb -0.10 -2.59 0.19 0.00 0.00 0.00 0.00 23.12 20.62 2gcx s ALA 72 CO 0.03 -1.47 1.24 0.14 0.00 0.00 0.00 175.76 175.70 2gcx s VAL 73 N -3.33 1.93 0.09 0.00 -7.23 -1.26 -4.64 120.40 105.95 2gcx s VAL 73 Ca 0.62 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2gcx s VAL 73 Cb -0.09 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2gcx s VAL 73 CO 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.25 2gcx n ALA 74 N -3.89 2.25 0.75 1.32 0.00 -1.26 -5.13 120.51 114.55 2gcx n ALA 74 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 2gcx n ALA 74 Cb 0.60 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.12 2gcx n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54