#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 0.21 -0.68 3.17 0.74 -1.26 -5.11 119.66 116.74 2gcx s GLN 2 Ca 0.00 0.70 -0.22 0.00 0.05 0.00 0.00 55.36 55.89 2gcx s GLN 2 Cb 0.00 -0.18 0.08 0.00 1.10 0.00 0.00 33.01 34.01 2gcx s GLN 2 CO 0.00 -0.38 0.97 -0.06 -0.55 0.00 0.00 175.29 175.27 2gcx s PHE 3 N 2.46 2.72 0.09 1.67 0.08 -1.26 -5.03 117.98 118.72 2gcx s PHE 3 Ca 0.03 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2gcx s PHE 3 Cb -0.13 -4.28 -0.04 0.00 -0.57 0.00 0.00 43.02 38.00 2gcx s PHE 3 CO -0.11 -1.62 0.17 0.95 -0.10 0.00 0.00 175.22 174.51 2gcx s THR 4 N 3.90 5.00 -0.90 0.64 -4.23 -1.26 -4.69 115.64 114.10 2gcx s THR 4 Ca 0.23 -0.64 -0.24 0.00 -1.18 0.00 0.00 61.69 59.85 2gcx s THR 4 Cb -0.16 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 2gcx s THR 4 CO 0.08 0.07 1.83 -2.16 -0.54 0.00 0.00 174.62 173.90 2gcx s PRO 5 N -2.67 2.77 0.00 3.99 0.04 -1.26 -3.42 135.00 134.45 2gcx s PRO 5 Ca 0.33 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.00 2gcx s PRO 5 Cb -0.12 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.38 2gcx s PRO 5 CO 0.26 -3.08 0.00 -0.40 0.04 0.00 0.00 177.00 173.81 2gcx n ASP 6 N 12.84 0.00 -4.72 6.66 5.68 -1.26 -4.99 116.55 130.76 2gcx n ASP 6 Ca 0.36 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.32 2gcx n ASP 6 Cb 0.48 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2gcx s SER 7 N 0.00 5.36 0.86 -1.12 0.15 -1.22 -5.05 113.70 112.68 2gcx s SER 7 Ca 0.00 0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 2gcx s SER 7 Cb 0.00 -1.48 0.10 0.00 -1.71 0.00 0.00 66.02 62.94 2gcx s SER 7 CO 0.00 0.30 1.10 0.00 1.20 0.00 0.00 173.24 175.83 2gcx s ALA 8 N -1.09 1.85 0.03 5.45 0.00 -1.26 -4.37 121.76 122.37 2gcx s ALA 8 Ca 0.20 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 2gcx s ALA 8 Cb -0.12 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 19.91 2gcx s ALA 8 CO 0.10 -2.09 0.49 -1.58 0.00 0.00 0.00 175.76 172.68 2gcx s TRP 9 N -3.05 -0.38 -0.06 0.00 0.52 -0.60 -4.21 118.94 111.16 2gcx s TRP 9 Ca 0.62 0.44 0.03 0.00 0.02 0.00 0.00 56.10 57.21 2gcx s TRP 9 Cb -0.16 0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 32.42 2gcx s TRP 9 CO 0.56 -0.60 -0.13 0.15 0.02 0.00 0.00 176.95 176.95 2gcx s LYS 10 N -2.25 2.65 -0.13 4.98 1.02 -0.46 -0.05 119.74 125.51 2gcx s LYS 10 Ca -0.06 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 2gcx s LYS 10 Cb -0.01 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 2gcx s LYS 10 CO -0.00 0.58 1.05 0.42 -0.92 0.00 0.00 175.35 176.48 2gcx s ILE 11 N -0.60 4.66 -0.45 2.17 1.01 0.19 -1.12 121.20 127.05 2gcx s ILE 11 Ca 0.09 1.95 0.09 0.00 0.00 0.00 0.00 60.65 62.78 2gcx s ILE 11 Cb -0.11 -4.26 0.35 0.00 0.01 0.00 0.00 42.46 38.45 2gcx s ILE 11 CO 0.01 -0.04 0.83 0.35 0.00 0.00 0.00 174.94 176.09 2gcx n THR 12 N 4.77 1.19 -1.53 2.92 -2.24 0.26 0.16 114.28 119.80 2gcx n THR 12 Ca 0.10 -4.95 -0.33 0.00 -2.27 0.00 0.00 64.05 56.60 2gcx n THR 12 Cb 0.48 -0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 67.91 2gcx n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gcx n GLY 13 N 0.05 -0.14 2.68 3.38 0.00 -1.25 -1.75 105.19 108.16 2gcx n GLY 13 Ca 0.27 0.71 -0.21 0.00 0.00 0.00 0.00 46.02 46.79 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 10.41 -0.14 0.17 1.61 5.36 -1.26 -4.81 117.98 129.32 2gcx s PHE 14 Ca 1.13 -0.61 0.09 0.00 -0.96 0.00 0.00 56.93 56.57 2gcx s PHE 14 Cb -0.58 -0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 41.47 2gcx s PHE 14 CO 0.34 -0.90 -0.10 -1.12 -1.46 0.00 0.00 175.22 171.98 2gcx s SER 15 N 1.97 4.28 0.60 6.13 0.01 -1.26 -4.58 113.70 120.85 2gcx s SER 15 Ca 0.12 -0.54 0.29 0.00 1.31 0.00 0.00 55.95 57.12 2gcx s SER 15 Cb -0.16 -0.74 1.49 0.00 0.21 0.00 0.00 66.02 66.83 2gcx s SER 15 CO -0.24 0.12 1.90 0.08 0.41 0.00 0.00 173.24 175.51 2gcx h ARG 16 N 3.04 0.00 -0.18 12.44 -0.00 -2.00 -2.82 114.38 124.86 2gcx h ARG 16 Ca -0.47 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.31 2gcx h ARG 16 Cb 1.20 0.00 -0.26 0.00 -0.00 0.00 0.00 29.97 30.91 2gcx h ARG 16 CO 0.54 0.00 -0.64 -3.47 -0.00 0.00 0.00 179.97 176.40 2gcx n ASP 17 N -3.59 -0.15 -4.40 0.08 2.03 -1.26 -5.10 116.55 104.17 2gcx n ASP 17 Ca 0.07 -2.13 -0.49 0.00 0.52 0.00 0.00 54.79 52.75 2gcx n ASP 17 Cb 0.62 0.18 -0.12 0.00 -0.72 0.00 0.00 41.12 41.07 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 -1.10 0.02 -1.93 5.18 3.06 -1.07 -4.85 119.36 118.67 2gcx n ILE 18 Ca -0.07 -0.09 -0.38 0.00 -2.50 0.00 0.00 62.75 59.71 2gcx n ILE 18 Cb 0.85 -0.80 0.03 0.00 0.54 0.00 0.00 39.64 40.26 2gcx n ILE 18 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2gcx s SER 19 N 7.81 5.48 0.51 9.51 0.15 -1.26 -4.82 113.70 131.08 2gcx s SER 19 Ca 1.24 2.61 0.18 0.00 0.70 0.00 0.00 55.95 60.67 2gcx s SER 19 Cb -1.23 -2.62 1.27 0.00 -1.71 0.00 0.00 66.02 61.73 2gcx s SER 19 CO 0.54 -1.42 2.10 1.55 1.20 0.00 0.00 173.24 177.22 2gcx h PRO 20 N 1.54 0.04 -0.74 5.44 0.13 -1.97 -2.08 132.00 134.36 2gcx h PRO 20 Ca -0.50 -0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.78 2gcx h PRO 20 Cb 1.29 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 2gcx h PRO 20 CO 0.58 0.03 0.22 0.00 -0.23 0.00 0.00 178.00 178.59 2gcx h ALA 21 N 1.92 0.98 0.15 -0.56 0.00 -1.97 1.30 119.26 121.09 2gcx h ALA 21 Ca 0.07 0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.83 2gcx h ALA 21 Cb 0.25 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2gcx h ALA 21 CO -0.00 -0.30 -1.54 1.88 0.00 0.00 0.00 179.25 179.28 2gcx h TYR 22 N 0.32 0.58 0.59 0.00 -1.99 -1.81 -3.24 116.97 111.42 2gcx h TYR 22 Ca 0.41 -0.43 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 2gcx h TYR 22 Cb 0.69 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 39.40 2gcx h TYR 22 CO -0.23 1.60 -0.28 -0.09 -0.00 0.00 0.00 178.16 179.16 2gcx h ARG 23 N -0.11 -0.76 -0.11 4.88 1.12 -0.96 -3.06 114.38 115.37 2gcx h ARG 23 Ca -0.32 0.05 0.03 0.00 -1.11 0.00 0.00 59.98 58.64 2gcx h ARG 23 Cb 1.92 0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 32.04 2gcx h ARG 23 CO 0.12 -0.51 0.28 1.96 -3.11 0.00 0.00 179.97 178.71 2gcx h GLN 24 N -1.14 0.00 -0.30 0.20 1.08 0.15 -0.55 115.11 114.55 2gcx h GLN 24 Ca -0.08 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 2gcx h GLN 24 Cb 0.61 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2gcx h GLN 24 CO 0.13 0.00 -0.23 -0.22 -0.95 0.00 0.00 178.83 177.56 2gcx h LYS 25 N 0.00 0.69 -0.88 1.46 3.64 -1.56 -2.98 116.57 116.93 2gcx h LYS 25 Ca 0.05 -0.34 0.20 0.00 -1.27 0.00 0.00 60.65 59.30 2gcx h LYS 25 Cb 0.61 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 2gcx h LYS 25 CO -0.00 0.94 0.59 -0.07 -2.27 0.00 0.00 179.45 178.64 2gcx h LEU 26 N 0.44 0.37 -2.05 5.20 3.38 -1.01 0.24 115.31 121.88 2gcx h LEU 26 Ca 0.06 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2gcx h LEU 26 Cb 0.78 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2gcx h LEU 26 CO 0.06 0.15 0.35 -0.07 0.09 0.00 0.00 178.44 179.02 2gcx h LEU 27 N 0.37 0.00 -1.19 1.67 3.38 -1.59 -0.97 115.31 116.98 2gcx h LEU 27 Ca 0.46 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.68 2gcx h LEU 27 Cb 1.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 2gcx h LEU 27 CO -0.16 0.00 0.64 0.28 0.09 0.00 0.00 178.44 179.29 2gcx h SER 28 N 0.00 0.57 0.00 -0.43 0.02 -0.66 -1.92 113.55 111.13 2gcx h SER 28 Ca 0.19 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 2gcx h SER 28 Cb 0.88 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2gcx h SER 28 CO -0.00 0.11 -1.68 0.18 -1.14 0.00 0.00 176.83 174.30 2gcx n LEU 29 N -4.74 0.00 0.00 5.07 7.99 -0.53 -5.01 117.00 119.79 2gcx n LEU 29 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2gcx n LEU 29 Cb 0.80 0.04 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 2gcx n LEU 29 CO 0.22 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.75 2gcx n GLY 30 N 1.76 0.87 3.46 -0.72 0.00 -0.48 -5.03 105.19 105.05 2gcx n GLY 30 Ca -0.05 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.45 3.46 0.54 1.61 -1.94 -1.12 -4.97 119.30 116.44 2gcx s MET 31 Ca 0.00 -1.47 -0.10 0.00 -1.71 0.00 0.00 55.69 52.41 2gcx s MET 31 Cb 0.00 -4.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.03 2gcx s MET 31 CO 0.00 -1.81 0.92 -0.51 -0.01 0.00 0.00 175.02 173.61 2gcx s LEU 32 N 3.20 3.46 -0.49 -0.03 1.02 -1.26 -4.68 118.68 119.89 2gcx s LEU 32 Ca 0.31 1.24 -0.35 0.00 0.02 0.00 0.00 54.13 55.35 2gcx s LEU 32 Cb -0.08 -4.23 -0.14 0.00 0.02 0.00 0.00 46.19 41.76 2gcx s LEU 32 CO -0.04 -0.70 2.29 -2.65 0.02 0.00 0.00 176.35 175.27 2gcx n PRO 33 N -2.34 0.71 0.00 1.29 -0.02 -1.26 -2.89 135.00 130.49 2gcx n PRO 33 Ca 0.04 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2gcx n PRO 33 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 6.65 1.49 3.94 -1.23 0.00 0.43 -4.92 105.19 111.54 2gcx n GLY 34 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.73 5.06 0.19 1.61 0.15 -0.76 -4.87 113.70 113.34 2gcx s SER 35 Ca 0.00 -0.84 0.10 0.00 0.70 0.00 0.00 55.95 55.91 2gcx s SER 35 Cb 0.00 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 2gcx s SER 35 CO 0.00 -0.95 -0.14 -0.55 1.20 0.00 0.00 173.24 172.80 2gcx s SER 36 N -4.34 4.02 0.18 5.45 0.15 -1.26 0.53 113.70 118.43 2gcx s SER 36 Ca 0.49 -0.67 -0.24 0.00 0.70 0.00 0.00 55.95 56.23 2gcx s SER 36 Cb -0.05 -0.58 0.05 0.00 -1.71 0.00 0.00 66.02 63.73 2gcx s SER 36 CO 0.30 0.11 0.90 0.72 1.20 0.00 0.00 173.24 176.47 2gcx s PHE 37 N -1.72 -0.14 -0.05 3.44 -0.71 0.93 -4.75 117.98 114.98 2gcx s PHE 37 Ca 0.24 -0.20 0.04 0.00 -1.04 0.00 0.00 56.93 55.97 2gcx s PHE 37 Cb -0.08 0.66 -0.00 0.00 -1.21 0.00 0.00 43.02 42.38 2gcx s PHE 37 CO 0.14 -0.93 -0.19 -1.01 -1.34 0.00 0.00 175.22 171.89 2gcx s HIS 38 N -3.44 1.88 0.01 3.49 3.76 -0.58 -1.56 115.29 118.86 2gcx s HIS 38 Ca 0.12 -0.57 -0.26 0.00 -0.15 0.00 0.00 55.06 54.20 2gcx s HIS 38 Cb -0.02 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 2gcx s HIS 38 CO 0.03 -0.20 0.81 0.14 -0.85 0.00 0.00 174.74 174.67 2gcx s VAL 39 N 0.07 4.83 -0.22 -0.90 -7.23 -1.26 -0.42 120.40 115.27 2gcx s VAL 39 Ca -0.06 1.70 -0.20 0.00 -1.81 0.00 0.00 61.98 61.62 2gcx s VAL 39 Cb -0.13 -4.15 -0.18 0.00 0.56 0.00 0.00 36.38 32.48 2gcx s VAL 39 CO 0.03 0.29 0.11 0.52 -0.31 0.00 0.00 175.10 175.74 2gcx n VAL 40 N 3.31 1.54 -3.71 1.32 0.31 -0.72 -4.23 118.33 116.15 2gcx n VAL 40 Ca 0.00 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 2gcx n VAL 40 Cb 0.51 -2.00 -0.10 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.39 0.44 0.07 5.55 1.70 -1.26 -4.72 118.95 118.33 2gcx s ARG 41 Ca -0.31 0.71 -0.05 0.00 -0.47 0.00 0.00 55.73 55.61 2gcx s ARG 41 Cb 0.08 0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2gcx s ARG 41 CO 0.58 -0.11 0.08 0.08 -1.08 0.00 0.00 175.30 174.85 2gcx s VAL 42 N 0.89 0.18 0.04 4.99 1.01 -1.26 -4.06 120.40 122.18 2gcx s VAL 42 Ca -0.05 -1.48 0.06 0.00 0.00 0.00 0.00 61.98 60.51 2gcx s VAL 42 Cb -0.06 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2gcx s VAL 42 CO -0.07 -0.82 -0.17 0.00 0.00 0.00 0.00 175.10 174.04 2gcx s ALA 43 N -3.86 1.47 -0.13 5.51 0.00 -1.26 -4.84 121.76 118.65 2gcx s ALA 43 Ca 0.06 -0.93 0.30 0.00 0.00 0.00 0.00 51.96 51.39 2gcx s ALA 43 Cb 0.06 -0.27 1.18 0.00 0.00 0.00 0.00 23.12 24.09 2gcx s ALA 43 CO -0.10 0.31 1.88 -1.00 0.00 0.00 0.00 175.76 176.84 2gcx h PRO 44 N 4.95 0.00 0.00 0.00 0.13 -2.00 -3.30 132.00 131.79 2gcx h PRO 44 Ca -0.40 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.61 2gcx h PRO 44 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2gcx h PRO 44 CO 0.44 0.00 -0.91 1.28 -0.23 0.00 0.00 178.00 178.58 2gcx n LEU 45 N -2.81 1.84 0.00 1.56 4.77 -1.26 -5.05 117.00 116.05 2gcx n LEU 45 Ca 0.01 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2gcx n LEU 45 Cb 0.30 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2gcx n LEU 45 CO 0.25 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2gcx n GLY 46 N 1.52 0.77 3.32 -0.72 0.00 -1.24 -5.14 105.19 103.70 2gcx n GLY 46 Ca -0.20 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.17 -0.31 1.61 1.11 -1.26 -4.95 116.67 113.05 2gcx s ASP 47 Ca 0.00 -1.29 -0.25 0.00 0.18 0.00 0.00 52.55 51.20 2gcx s ASP 47 Cb 0.00 0.45 0.00 0.00 1.07 0.00 0.00 42.92 44.45 2gcx s ASP 47 CO 0.00 -0.94 0.86 -2.16 1.18 0.00 0.00 175.17 174.10 2gcx s PRO 48 N -4.06 4.00 0.20 8.23 0.05 -1.26 -3.30 135.00 138.86 2gcx s PRO 48 Ca 0.34 0.72 0.06 0.00 0.05 0.00 0.00 61.00 62.18 2gcx s PRO 48 Cb 0.05 -3.73 -0.04 0.00 0.05 0.00 0.00 34.50 30.83 2gcx s PRO 48 CO 0.12 -0.72 0.14 0.54 0.05 0.00 0.00 177.00 177.12 2gcx s VAL 49 N 3.11 4.34 -0.11 -0.36 0.11 0.19 -4.88 120.40 122.81 2gcx s VAL 49 Ca 0.36 -1.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 2gcx s VAL 49 Cb -0.14 -3.26 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2gcx s VAL 49 CO 0.13 -0.20 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.53 2gcx s HIS 50 N -1.90 2.72 -0.07 1.54 3.76 -1.26 0.28 115.29 120.36 2gcx s HIS 50 Ca 0.31 -0.65 -0.04 0.00 -0.15 0.00 0.00 55.06 54.54 2gcx s HIS 50 Cb -0.09 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 2gcx s HIS 50 CO 0.23 -0.19 0.12 0.96 -0.85 0.00 0.00 174.74 175.02 2gcx s ILE 51 N 0.14 5.19 -0.21 0.60 -4.36 0.37 -1.75 121.20 121.19 2gcx s ILE 51 Ca -0.08 -0.05 -0.06 0.00 -0.26 0.00 0.00 60.65 60.20 2gcx s ILE 51 Cb -0.15 -3.31 -0.03 0.00 1.25 0.00 0.00 42.46 40.22 2gcx s ILE 51 CO 0.05 0.50 0.02 -0.70 0.24 0.00 0.00 174.94 175.06 2gcx s GLU 52 N -1.35 3.68 0.15 0.37 2.12 0.44 0.56 118.70 124.66 2gcx s GLU 52 Ca 0.19 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.05 2gcx s GLU 52 Cb -0.12 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 2gcx s GLU 52 CO 0.09 0.01 0.06 0.25 -0.54 0.00 0.00 175.26 175.13 2gcx n THR 53 N 4.27 0.00 -1.50 -1.70 -2.24 0.21 -1.52 114.28 111.80 2gcx n THR 53 Ca -0.17 -0.88 -0.34 0.00 -2.27 0.00 0.00 64.05 60.39 2gcx n THR 53 Cb 0.52 0.34 -0.17 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.32 0.06 -4.11 -0.78 5.12 -1.26 -1.32 116.66 114.04 2gcx n ARG 54 Ca -0.01 -0.02 -0.29 0.00 -1.93 0.00 0.00 57.85 55.59 2gcx n ARG 54 Cb 0.22 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.00 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 7.54 -1.97 0.00 5.56 1.74 -1.26 -4.92 116.66 123.35 2gcx n ARG 55 Ca 0.65 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 2gcx n ARG 55 Cb 0.10 -3.96 0.00 0.00 -1.02 0.00 0.00 32.46 27.57 2gcx n ARG 55 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2gcx n VAL 56 N -4.52 0.00 -3.56 1.55 3.14 -0.44 -5.14 118.33 109.37 2gcx n VAL 56 Ca -0.30 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.67 2gcx n VAL 56 Cb 0.68 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.35 2gcx n VAL 56 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2gcx s SER 57 N 0.00 5.86 0.44 6.55 0.15 -1.26 -0.62 113.70 124.82 2gcx s SER 57 Ca 0.00 -0.73 -0.01 0.00 0.70 0.00 0.00 55.95 55.91 2gcx s SER 57 Cb 0.00 -2.08 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 2gcx s SER 57 CO 0.00 -0.32 0.68 -0.22 1.20 0.00 0.00 173.24 174.58 2gcx s LEU 58 N 1.64 3.69 0.03 3.45 2.96 0.19 -4.84 118.68 125.81 2gcx s LEU 58 Ca 0.04 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 2gcx s LEU 58 Cb -0.18 -3.34 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 2gcx s LEU 58 CO 0.08 -0.62 -0.09 0.54 -1.32 0.00 0.00 176.35 174.94 2gcx s VAL 59 N -2.57 3.43 0.02 1.68 0.11 -1.26 0.14 120.40 121.95 2gcx s VAL 59 Ca 0.47 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2gcx s VAL 59 Cb -0.10 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.22 2gcx s VAL 59 CO 0.39 0.32 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.68 2gcx s LEU 60 N -1.61 2.17 0.10 2.54 1.43 0.14 -4.91 118.68 118.54 2gcx s LEU 60 Ca 0.18 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2gcx s LEU 60 Cb -0.11 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 2gcx s LEU 60 CO 0.09 -0.19 0.03 -0.13 0.23 0.00 0.00 176.35 176.38 2gcx s ARG 61 N -1.06 2.66 0.59 1.70 0.52 -1.26 -0.64 118.95 121.47 2gcx s ARG 61 Ca -0.10 -0.81 0.29 0.00 -0.52 0.00 0.00 55.73 54.59 2gcx s ARG 61 Cb -0.07 -2.60 1.36 0.00 0.52 0.00 0.00 34.95 34.16 2gcx s ARG 61 CO -0.00 0.54 1.74 1.57 0.02 0.00 0.00 175.30 179.17 2gcx h LYS 62 N 3.29 0.00 0.00 3.54 -0.00 -1.92 1.04 116.57 122.53 2gcx h LYS 62 Ca -0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.01 2gcx h LYS 62 Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.37 2gcx h LYS 62 CO 0.62 0.00 -0.86 1.57 -0.00 0.00 0.00 179.45 180.78 2gcx h LYS 63 N 0.00 0.00 0.03 0.07 2.10 -1.94 -3.22 116.57 113.61 2gcx h LYS 63 Ca 0.31 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.75 2gcx h LYS 63 Cb 1.71 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.02 2gcx h LYS 63 CO -0.00 0.73 -0.99 0.22 -2.00 0.00 0.00 179.45 177.41 2gcx h ASP 64 N 0.00 0.14 1.20 7.07 1.82 0.71 -3.19 116.42 124.18 2gcx h ASP 64 Ca -0.03 -0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 2gcx h ASP 64 Cb 1.62 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 41.58 2gcx h ASP 64 CO 0.10 1.04 -0.07 -0.07 -1.61 0.00 0.00 179.24 178.62 2gcx h LEU 65 N 0.04 0.00 -1.46 2.28 4.07 -1.37 -2.95 115.31 115.92 2gcx h LEU 65 Ca -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 2gcx h LEU 65 Cb 1.70 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 2gcx h LEU 65 CO 0.14 0.07 -0.21 0.00 -1.08 0.00 0.00 178.44 177.37 2gcx h ALA 66 N 1.93 1.56 0.00 1.53 0.00 -1.55 -3.30 119.26 119.42 2gcx h ALA 66 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2gcx h ALA 66 Cb 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2gcx h ALA 66 CO 0.01 0.33 -0.27 -0.07 0.00 0.00 0.00 179.25 179.25 2gcx h LEU 67 N 0.08 0.00-10.07 0.00 3.38 -1.67 -3.47 115.31 103.56 2gcx h LEU 67 Ca 0.01 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.46 2gcx h LEU 67 Cb 0.42 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.27 2gcx h LEU 67 CO 0.03 0.55 0.48 0.27 0.09 0.00 0.00 178.44 179.86 2gcx s ILE 68 N -1.82 2.72 0.14 1.22 -4.36 -1.14 -4.16 121.20 113.79 2gcx s ILE 68 Ca -0.08 0.47 0.03 0.00 -0.26 0.00 0.00 60.65 60.82 2gcx s ILE 68 Cb 0.01 -3.21 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 2gcx s ILE 68 CO 0.11 -0.07 0.21 -0.70 0.24 0.00 0.00 174.94 174.73 2gcx s GLU 69 N -3.17 3.21 0.11 0.37 2.12 -0.71 -4.77 118.70 115.86 2gcx s GLU 69 Ca 0.74 -0.67 0.09 0.00 0.36 0.00 0.00 54.97 55.48 2gcx s GLU 69 Cb -0.30 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2gcx s GLU 69 CO 0.34 0.53 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.90 2gcx s LEU 70 N -3.02 2.72 -0.18 2.70 2.01 -1.26 0.88 118.68 122.54 2gcx s LEU 70 Ca 0.33 -0.53 -0.03 0.00 0.01 0.00 0.00 54.13 53.91 2gcx s LEU 70 Cb -0.11 -1.57 0.06 0.00 0.01 0.00 0.00 46.19 44.58 2gcx s LEU 70 CO 0.26 0.18 0.04 -0.70 1.01 0.00 0.00 176.35 177.15 2gcx s GLU 71 N -2.09 0.58 0.78 1.70 2.12 -0.27 -4.89 118.70 116.62 2gcx s GLU 71 Ca 0.18 -0.34 -0.15 0.00 0.36 0.00 0.00 54.97 55.01 2gcx s GLU 71 Cb -0.11 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 32.26 2gcx s GLU 71 CO 0.10 -0.62 0.48 0.00 -0.54 0.00 0.00 175.26 174.68 2gcx n ALA 72 N 5.09 -1.84 -2.02 6.30 0.00 -1.26 -1.35 120.51 125.43 2gcx n ALA 72 Ca -0.09 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 2gcx n ALA 72 Cb 0.48 -1.83 0.03 0.00 0.00 0.00 0.00 19.45 18.13 2gcx n ALA 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gcx s VAL 73 N -2.03 3.81 -0.11 0.00 -7.23 -1.26 -4.77 120.40 108.81 2gcx s VAL 73 Ca 0.63 0.25 -0.21 0.00 -1.81 0.00 0.00 61.98 60.84 2gcx s VAL 73 Cb -0.31 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.05 2gcx s VAL 73 CO 0.61 -0.61 0.60 0.00 -0.31 0.00 0.00 175.10 175.38 2gcx s ALA 74 N -3.10 3.43 -2.39 1.32 0.00 -1.26 -5.10 121.76 114.65 2gcx s ALA 74 Ca 0.55 -0.07 0.19 0.00 0.00 0.00 0.00 51.96 52.63 2gcx s ALA 74 Cb -0.11 -2.83 0.15 0.00 0.00 0.00 0.00 23.12 20.33 2gcx s ALA 74 CO 0.48 -0.14 1.11 0.94 0.00 0.00 0.00 175.76 178.15