#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 3.02 -0.32 2.12 -0.21 -1.26 -5.07 119.66 117.95 2gcx s GLN 2 Ca 0.00 0.07 -0.05 0.00 0.02 0.00 0.00 55.36 55.40 2gcx s GLN 2 Cb 0.00 -2.27 0.04 0.00 1.00 0.00 0.00 33.01 31.78 2gcx s GLN 2 CO 0.00 -0.64 0.06 -0.06 -2.12 0.00 0.00 175.29 172.52 2gcx s PHE 3 N -2.98 3.24 0.09 0.91 0.40 -1.26 -5.10 117.98 113.28 2gcx s PHE 3 Ca 0.53 -1.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.38 2gcx s PHE 3 Cb -0.11 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 2gcx s PHE 3 CO 0.46 -0.74 -0.00 0.95 0.70 0.00 0.00 175.22 176.58 2gcx s THR 4 N 1.36 3.99 -1.05 0.64 -4.23 -1.26 -4.58 115.64 110.51 2gcx s THR 4 Ca -0.02 -1.00 -0.23 0.00 -1.18 0.00 0.00 61.69 59.25 2gcx s THR 4 Cb -0.19 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2gcx s THR 4 CO 0.01 0.12 1.88 -2.16 -0.54 0.00 0.00 174.62 173.93 2gcx s PRO 5 N -2.32 2.74 0.00 3.99 0.04 -1.26 -3.23 135.00 134.96 2gcx s PRO 5 Ca 0.26 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.47 2gcx s PRO 5 Cb -0.12 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2gcx s PRO 5 CO 0.18 -3.41 0.00 -0.40 0.04 0.00 0.00 177.00 173.41 2gcx n ASP 6 N 13.22 0.00 -4.91 6.66 5.75 -1.25 -4.94 116.55 131.08 2gcx n ASP 6 Ca 0.42 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.92 2gcx n ASP 6 Cb 0.47 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.59 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 5.62 0.34 -1.12 0.15 -1.20 -4.93 113.70 112.57 2gcx s SER 7 Ca 0.00 0.84 0.07 0.00 0.70 0.00 0.00 55.95 57.56 2gcx s SER 7 Cb 0.00 -1.81 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 2gcx s SER 7 CO 0.00 -1.08 0.37 0.00 1.20 0.00 0.00 173.24 173.73 2gcx s ALA 8 N -3.06 4.02 0.32 5.45 0.00 -1.26 -3.62 121.76 123.61 2gcx s ALA 8 Ca 0.54 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 2gcx s ALA 8 Cb -0.11 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.66 2gcx s ALA 8 CO 0.47 -0.02 0.62 -1.58 0.00 0.00 0.00 175.76 175.24 2gcx s TRP 9 N -2.26 0.34 -0.04 0.00 0.52 -0.54 -3.92 118.94 113.03 2gcx s TRP 9 Ca 0.43 -0.78 0.04 0.00 0.02 0.00 0.00 56.10 55.80 2gcx s TRP 9 Cb -0.07 0.43 0.00 0.00 -1.15 0.00 0.00 33.47 32.68 2gcx s TRP 9 CO 0.28 -1.25 -0.15 0.15 0.02 0.00 0.00 176.95 176.01 2gcx s LYS 10 N -3.27 1.63 -0.03 4.98 1.02 0.64 -0.97 119.74 123.75 2gcx s LYS 10 Ca 0.20 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 2gcx s LYS 10 Cb -0.03 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 2gcx s LYS 10 CO 0.12 0.18 1.23 0.42 -0.92 0.00 0.00 175.35 176.38 2gcx s ILE 11 N 0.19 4.14 -0.31 2.17 1.01 0.08 -1.76 121.20 126.72 2gcx s ILE 11 Ca -0.06 1.49 0.19 0.00 0.00 0.00 0.00 60.65 62.27 2gcx s ILE 11 Cb -0.12 -3.96 0.47 0.00 0.01 0.00 0.00 42.46 38.87 2gcx s ILE 11 CO 0.02 0.02 0.98 0.41 0.00 0.00 0.00 174.94 176.37 2gcx n THR 12 N 4.50 1.06 -1.53 2.92 -1.04 0.60 0.10 114.28 120.88 2gcx n THR 12 Ca 0.11 -3.05 -0.21 0.00 -2.04 0.00 0.00 64.05 58.86 2gcx n THR 12 Cb 0.46 0.76 -0.13 0.00 -1.82 0.00 0.00 70.33 69.60 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 -0.17 -0.28 2.75 3.41 0.00 -1.24 -1.58 105.19 108.09 2gcx n GLY 13 Ca 0.09 0.30 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 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 8.52 -0.38 0.34 1.61 2.19 -1.26 -4.80 117.98 124.19 2gcx s PHE 14 Ca 1.12 -0.40 0.04 0.00 0.33 0.00 0.00 56.93 58.02 2gcx s PHE 14 Cb -0.50 -0.46 0.04 0.00 -1.31 0.00 0.00 43.02 40.79 2gcx s PHE 14 CO 0.32 -0.93 0.34 0.43 1.83 0.00 0.00 175.22 177.21 2gcx n SER 15 N 4.97 1.72 0.12 6.13 7.64 -1.25 -4.46 113.62 128.50 2gcx n SER 15 Ca 0.02 -2.04 0.08 0.00 1.01 0.00 0.00 58.87 57.94 2gcx n SER 15 Cb 0.46 -0.12 0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 -3.38 114.38 110.44 2gcx h ARG 16 Ca -0.19 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.16 2gcx h ARG 16 Cb 0.75 0.00 -0.24 0.00 0.00 0.00 0.00 29.97 30.48 2gcx h ARG 16 CO 0.29 0.11 -0.68 -0.40 0.00 0.00 0.00 179.97 179.29 2gcx n ASP 17 N -2.89 0.21 -4.68 7.04 5.75 -1.26 -5.11 116.55 115.61 2gcx n ASP 17 Ca -0.01 -1.93 -0.58 0.00 -0.01 0.00 0.00 54.79 52.26 2gcx n ASP 17 Cb 0.62 -0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.55 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gcx n ILE 18 N 0.26 0.18 -1.89 2.12 3.06 -1.26 -4.91 119.36 116.91 2gcx n ILE 18 Ca -0.05 -0.03 -0.33 0.00 -2.50 0.00 0.00 62.75 59.84 2gcx n ILE 18 Cb 0.92 -0.95 0.03 0.00 0.54 0.00 0.00 39.64 40.18 2gcx n ILE 18 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2gcx s SER 19 N 2.63 5.51 0.44 9.51 1.04 -1.26 -4.91 113.70 126.66 2gcx s SER 19 Ca 0.96 1.85 0.19 0.00 0.48 0.00 0.00 55.95 59.43 2gcx s SER 19 Cb -1.13 -2.53 1.02 0.00 0.10 0.00 0.00 66.02 63.47 2gcx s SER 19 CO 0.64 -1.36 1.93 1.55 0.98 0.00 0.00 173.24 176.99 2gcx h PRO 20 N 0.16 0.00 -0.73 4.02 0.13 -1.97 -2.46 132.00 131.16 2gcx h PRO 20 Ca -0.46 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 2gcx h PRO 20 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 2gcx h PRO 20 CO 0.56 0.25 0.24 0.00 -0.23 0.00 0.00 178.00 178.81 2gcx h ALA 21 N 1.75 0.98 0.13 -0.56 0.00 -1.96 1.29 119.26 120.90 2gcx h ALA 21 Ca -0.00 0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 2gcx h ALA 21 Cb 0.51 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2gcx h ALA 21 CO 0.03 -0.27 -1.67 1.88 0.00 0.00 0.00 179.25 179.21 2gcx h TYR 22 N 0.35 0.52 0.42 0.00 0.05 -1.92 -3.22 116.97 113.17 2gcx h TYR 22 Ca 0.40 -0.38 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2gcx h TYR 22 Cb 0.65 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2gcx h TYR 22 CO -0.21 1.50 -0.20 -0.09 -1.05 0.00 0.00 178.16 178.11 2gcx h ARG 23 N 0.08 -0.54 0.00 4.88 9.65 -0.92 -2.85 114.38 124.67 2gcx h ARG 23 Ca -0.30 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2gcx h ARG 23 Cb 2.05 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.75 2gcx h ARG 23 CO 0.15 -0.36 0.10 0.37 2.80 0.00 0.00 179.97 183.03 2gcx h GLN 24 N -1.02 0.00 0.18 0.20 4.15 0.14 -2.62 115.11 116.15 2gcx h GLN 24 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 2gcx h GLN 24 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2gcx h GLN 24 CO 0.09 0.00 -0.09 -0.22 -1.93 0.00 0.00 178.83 176.69 2gcx h LYS 25 N 0.00 -0.23 -1.00 1.69 3.64 -1.55 -3.28 116.57 115.83 2gcx h LYS 25 Ca 0.00 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.68 2gcx h LYS 25 Cb 0.20 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 2gcx h LYS 25 CO 0.00 0.03 0.71 -0.07 -2.27 0.00 0.00 179.45 177.85 2gcx h LEU 26 N -1.01 0.07 -1.60 5.20 3.38 -1.22 0.20 115.31 120.32 2gcx h LEU 26 Ca -0.02 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.17 2gcx h LEU 26 Cb 0.37 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2gcx h LEU 26 CO 0.04 0.02 0.61 -0.07 0.09 0.00 0.00 178.44 179.13 2gcx h LEU 27 N 0.06 0.33 -1.76 1.67 3.38 -1.59 0.36 115.31 117.76 2gcx h LEU 27 Ca 0.49 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.47 2gcx h LEU 27 Cb 1.83 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 2gcx h LEU 27 CO -0.04 0.12 -0.14 0.77 0.09 0.00 0.00 178.44 179.24 2gcx h SER 28 N 0.32 0.00 0.99 -0.43 4.64 -0.76 -2.10 113.55 116.21 2gcx h SER 28 Ca 0.47 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.67 2gcx h SER 28 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2gcx h SER 28 CO -0.15 0.14 -1.08 -0.07 -0.87 0.00 0.00 176.83 174.80 2gcx h LEU 29 N 0.00 0.00 0.00 5.97 3.38 -0.45 -3.48 115.31 120.73 2gcx h LEU 29 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gcx h LEU 29 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2gcx h LEU 29 CO 0.02 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.60 2gcx n GLY 30 N 1.31 0.51 3.28 0.83 0.00 -0.73 -5.01 105.19 105.38 2gcx n GLY 30 Ca -0.05 -0.87 -0.45 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.72 3.33 0.47 1.61 -1.94 -1.24 -5.05 119.30 114.76 2gcx s MET 31 Ca 0.00 -2.37 -0.04 0.00 -1.71 0.00 0.00 55.69 51.57 2gcx s MET 31 Cb 0.00 -4.28 -0.03 0.00 2.01 0.00 0.00 34.83 32.53 2gcx s MET 31 CO 0.00 -1.27 0.76 -0.51 -0.01 0.00 0.00 175.02 173.99 2gcx s LEU 32 N 0.32 3.64 -0.46 -0.03 1.02 -1.26 -4.81 118.68 117.10 2gcx s LEU 32 Ca 0.16 0.83 -0.43 0.00 0.02 0.00 0.00 54.13 54.71 2gcx s LEU 32 Cb -0.15 -3.76 -0.18 0.00 0.02 0.00 0.00 46.19 42.13 2gcx s LEU 32 CO -0.06 -0.59 2.01 -2.65 0.02 0.00 0.00 176.35 175.07 2gcx n PRO 33 N -2.23 0.26 0.00 1.29 -0.02 -1.26 -3.09 135.00 129.95 2gcx n PRO 33 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2gcx n PRO 33 Cb 0.56 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 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 6.40 1.97 3.99 -1.23 0.00 0.28 -4.95 105.19 111.64 2gcx n GLY 34 Ca 0.46 0.00 -0.20 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 -2.00 5.25 -0.03 1.61 0.15 -0.93 -4.89 113.70 112.85 2gcx s SER 35 Ca 0.00 -0.72 0.07 0.00 0.70 0.00 0.00 55.95 56.00 2gcx s SER 35 Cb 0.00 -0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2gcx s SER 35 CO 0.00 -1.00 -0.24 -0.55 1.20 0.00 0.00 173.24 172.65 2gcx s SER 36 N -4.43 3.21 0.12 5.45 0.15 -1.26 -0.74 113.70 116.21 2gcx s SER 36 Ca 0.54 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.60 2gcx s SER 36 Cb -0.06 -0.53 0.03 0.00 -1.71 0.00 0.00 66.02 63.75 2gcx s SER 36 CO 0.33 0.31 0.39 0.72 1.20 0.00 0.00 173.24 176.19 2gcx s PHE 37 N -0.53 -0.19 0.28 3.44 -0.71 -0.14 -4.66 117.98 115.47 2gcx s PHE 37 Ca 0.07 -0.13 0.10 0.00 -1.04 0.00 0.00 56.93 55.93 2gcx s PHE 37 Cb -0.11 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 2gcx s PHE 37 CO 0.00 -0.69 -0.03 -1.01 -1.34 0.00 0.00 175.22 172.15 2gcx s HIS 38 N -3.78 2.61 -0.14 3.49 3.76 -0.78 -1.46 115.29 118.98 2gcx s HIS 38 Ca 0.03 -0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 54.56 2gcx s HIS 38 Cb 0.02 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.45 2gcx s HIS 38 CO -0.12 0.61 0.20 0.08 -0.85 0.00 0.00 174.74 174.66 2gcx s VAL 39 N -2.38 5.38 -0.24 -0.90 1.01 -1.24 -1.14 120.40 120.88 2gcx s VAL 39 Ca 0.32 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 2gcx s VAL 39 Cb -0.05 -3.51 -0.16 0.00 0.00 0.00 0.00 36.38 32.66 2gcx s VAL 39 CO 0.19 0.50 -0.07 0.52 0.00 0.00 0.00 175.10 176.24 2gcx n VAL 40 N 2.87 1.54 -3.63 2.92 0.31 -0.66 -3.91 118.33 117.78 2gcx n VAL 40 Ca -0.16 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 63.82 2gcx n VAL 40 Cb 0.53 -1.94 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 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 0.79 0.07 5.55 1.70 -1.26 -4.66 118.95 118.69 2gcx s ARG 41 Ca -0.34 1.00 -0.08 0.00 -0.47 0.00 0.00 55.73 55.84 2gcx s ARG 41 Cb 0.10 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2gcx s ARG 41 CO 0.55 -0.10 0.17 0.08 -1.08 0.00 0.00 175.30 174.91 2gcx s VAL 42 N 0.56 0.14 0.08 4.99 1.01 -1.26 -3.95 120.40 121.97 2gcx s VAL 42 Ca -0.01 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.92 2gcx s VAL 42 Cb -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2gcx s VAL 42 CO -0.03 -0.62 -0.22 0.00 0.00 0.00 0.00 175.10 174.23 2gcx s ALA 43 N -3.36 1.92 -0.10 5.51 0.00 -1.26 -4.86 121.76 119.61 2gcx s ALA 43 Ca 0.01 -1.21 0.29 0.00 0.00 0.00 0.00 51.96 51.05 2gcx s ALA 43 Cb 0.03 -0.33 0.93 0.00 0.00 0.00 0.00 23.12 23.75 2gcx s ALA 43 CO -0.08 0.42 1.82 -1.00 0.00 0.00 0.00 175.76 176.92 2gcx h PRO 44 N 4.44 0.00 0.03 0.00 0.13 -1.99 -3.30 132.00 131.30 2gcx h PRO 44 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 2gcx h PRO 44 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2gcx h PRO 44 CO 0.42 0.03 -1.82 -0.11 -0.23 0.00 0.00 178.00 176.29 2gcx n LEU 45 N -3.12 2.19 0.00 1.56 7.94 -1.26 -5.04 117.00 119.27 2gcx n LEU 45 Ca 0.02 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 2gcx n LEU 45 Cb 0.41 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.38 2gcx n LEU 45 CO 0.30 0.55 0.00 0.61 -1.11 0.00 0.00 177.39 177.74 2gcx n GLY 46 N 1.63 1.09 3.22 -3.96 0.00 -1.24 -5.12 105.19 100.80 2gcx n GLY 46 Ca -0.38 0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.42 -0.30 1.61 1.11 -1.26 -4.96 116.67 113.29 2gcx s ASP 47 Ca 0.00 -1.43 -0.25 0.00 0.18 0.00 0.00 52.55 51.05 2gcx s ASP 47 Cb 0.00 0.38 0.00 0.00 1.07 0.00 0.00 42.92 44.37 2gcx s ASP 47 CO 0.00 -0.85 0.86 -2.16 1.18 0.00 0.00 175.17 174.20 2gcx s PRO 48 N -4.07 4.00 0.20 8.23 0.05 -1.26 -3.41 135.00 138.75 2gcx s PRO 48 Ca 0.39 0.74 0.06 0.00 0.05 0.00 0.00 61.00 62.24 2gcx s PRO 48 Cb 0.07 -3.72 -0.04 0.00 0.05 0.00 0.00 34.50 30.85 2gcx s PRO 48 CO 0.14 -0.72 0.14 0.54 0.05 0.00 0.00 177.00 177.15 2gcx s VAL 49 N 3.12 4.35 -0.05 -0.36 0.11 -0.46 -4.83 120.40 122.29 2gcx s VAL 49 Ca 0.36 -1.28 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2gcx s VAL 49 Cb -0.14 -3.28 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 2gcx s VAL 49 CO 0.13 -0.22 -0.24 -1.00 -3.33 0.00 0.00 175.10 170.44 2gcx s HIS 50 N -1.93 2.29 -0.04 1.54 3.76 -1.26 0.94 115.29 120.59 2gcx s HIS 50 Ca 0.31 -0.62 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 2gcx s HIS 50 Cb -0.09 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 2gcx s HIS 50 CO 0.23 -0.17 0.12 0.96 -0.85 0.00 0.00 174.74 175.04 2gcx s ILE 51 N -0.24 5.12 -0.35 0.60 -4.36 0.28 -1.65 121.20 120.59 2gcx s ILE 51 Ca -0.00 -0.16 -0.09 0.00 -0.26 0.00 0.00 60.65 60.14 2gcx s ILE 51 Cb -0.12 -3.31 0.03 0.00 1.25 0.00 0.00 42.46 40.30 2gcx s ILE 51 CO 0.02 0.43 0.16 -1.61 0.24 0.00 0.00 174.94 174.18 2gcx s GLU 52 N -1.55 2.78 0.24 0.37 0.41 -0.30 -1.37 118.70 119.28 2gcx s GLU 52 Ca 0.22 -1.09 0.02 0.00 -0.41 0.00 0.00 54.97 53.70 2gcx s GLU 52 Cb -0.12 -3.59 0.02 0.00 -1.78 0.00 0.00 34.13 28.65 2gcx s GLU 52 CO 0.12 -0.66 0.14 0.25 -0.49 0.00 0.00 175.26 174.62 2gcx n THR 53 N 4.91 0.00 -1.53 3.63 -2.24 0.14 -1.87 114.28 117.32 2gcx n THR 53 Ca -0.12 -1.00 -0.26 0.00 -2.27 0.00 0.00 64.05 60.40 2gcx n THR 53 Cb 0.46 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.97 0.48 -3.65 -0.78 5.12 -1.26 -1.88 116.66 113.72 2gcx n ARG 54 Ca -0.03 -0.30 -0.27 0.00 -1.93 0.00 0.00 57.85 55.32 2gcx n ARG 54 Cb 0.28 -2.70 0.02 0.00 -1.16 0.00 0.00 32.46 28.90 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 8.13 -4.92 -3.67 5.56 1.74 -1.26 -4.96 116.66 117.28 2gcx n ARG 55 Ca 0.52 0.61 -0.10 0.00 -0.77 0.00 0.00 57.85 58.11 2gcx n ARG 55 Cb 0.34 -5.46 -0.09 0.00 -1.02 0.00 0.00 32.46 26.23 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 -3.19 -0.01 -0.34 1.55 1.01 -0.79 -5.13 120.40 113.50 2gcx s VAL 56 Ca 0.55 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 2gcx s VAL 56 Cb -0.28 -0.79 0.06 0.00 0.00 0.00 0.00 36.38 35.38 2gcx s VAL 56 CO 0.68 0.02 0.09 -0.55 0.00 0.00 0.00 175.10 175.33 2gcx s SER 57 N 1.26 5.15 0.14 3.32 0.15 -1.26 0.25 113.70 122.70 2gcx s SER 57 Ca -0.08 -1.38 0.03 0.00 0.70 0.00 0.00 55.95 55.22 2gcx s SER 57 Cb -0.06 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 2gcx s SER 57 CO -0.13 -0.35 0.23 -0.22 1.20 0.00 0.00 173.24 173.97 2gcx s LEU 58 N 1.29 4.20 -0.09 3.45 2.96 -0.47 -4.92 118.68 125.11 2gcx s LEU 58 Ca -0.01 0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2gcx s LEU 58 Cb -0.20 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 2gcx s LEU 58 CO -0.00 0.08 -0.01 0.54 -1.32 0.00 0.00 176.35 175.63 2gcx s VAL 59 N -1.70 4.20 0.26 1.68 0.11 -1.26 0.98 120.40 124.67 2gcx s VAL 59 Ca 0.34 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 2gcx s VAL 59 Cb -0.11 -2.77 -0.06 0.00 -1.53 0.00 0.00 36.38 31.92 2gcx s VAL 59 CO 0.27 0.59 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.87 2gcx s LEU 60 N -0.76 2.25 -0.04 2.54 1.43 0.27 -4.93 118.68 119.44 2gcx s LEU 60 Ca 0.12 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.03 2gcx s LEU 60 Cb -0.11 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 2gcx s LEU 60 CO 0.02 -0.49 -0.19 -0.13 0.23 0.00 0.00 176.35 175.79 2gcx s ARG 61 N -3.84 1.88 0.56 1.70 0.52 -1.26 -1.36 118.95 117.14 2gcx s ARG 61 Ca 0.30 -0.69 0.39 0.00 -0.52 0.00 0.00 55.73 55.21 2gcx s ARG 61 Cb 0.06 -1.66 1.55 0.00 0.52 0.00 0.00 34.95 35.42 2gcx s ARG 61 CO 0.11 0.31 1.72 -0.22 0.02 0.00 0.00 175.30 177.24 2gcx h LYS 62 N 6.07 0.00 0.03 3.54 1.63 -1.95 1.31 116.57 127.21 2gcx h LYS 62 Ca -0.34 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.20 2gcx h LYS 62 Cb 1.17 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.77 2gcx h LYS 62 CO 0.48 0.00 -1.37 1.57 -3.45 0.00 0.00 179.45 176.68 2gcx h LYS 63 N 0.00 0.07 -0.24 1.90 2.10 -1.95 -3.32 116.57 115.13 2gcx h LYS 63 Ca 0.62 -0.12 -0.13 0.00 -2.00 0.00 0.00 60.65 59.02 2gcx h LYS 63 Cb 2.60 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 33.96 2gcx h LYS 63 CO -0.01 0.87 -0.40 0.22 -2.00 0.00 0.00 179.45 178.13 2gcx h ASP 64 N 0.02 0.61 0.25 7.07 3.58 0.12 -2.75 116.42 125.31 2gcx h ASP 64 Ca -0.16 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.01 2gcx h ASP 64 Cb 1.91 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.79 2gcx h ASP 64 CO 0.12 0.94 -0.05 -0.07 -2.88 0.00 0.00 179.24 177.30 2gcx h LEU 65 N 0.47 0.00 -1.69 2.28 4.07 -1.04 -2.40 115.31 117.01 2gcx h LEU 65 Ca 0.04 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.12 2gcx h LEU 65 Cb 0.91 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 2gcx h LEU 65 CO 0.08 0.05 0.42 0.00 -1.08 0.00 0.00 178.44 177.91 2gcx h ALA 66 N 1.95 2.12 0.00 1.53 0.00 -1.59 -3.12 119.26 120.14 2gcx h ALA 66 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gcx h ALA 66 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2gcx h ALA 66 CO 0.01 -0.27 -0.16 -0.07 0.00 0.00 0.00 179.25 178.76 2gcx h LEU 67 N 0.34 0.00 -9.99 0.00 3.38 -1.60 -3.47 115.31 103.97 2gcx h LEU 67 Ca 0.29 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.74 2gcx h LEU 67 Cb 0.69 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.53 2gcx h LEU 67 CO -0.07 0.53 0.58 0.27 0.09 0.00 0.00 178.44 179.83 2gcx s ILE 68 N -1.71 2.59 0.27 1.22 -4.36 -1.18 -3.96 121.20 114.08 2gcx s ILE 68 Ca -0.05 0.48 -0.04 0.00 -0.26 0.00 0.00 60.65 60.79 2gcx s ILE 68 Cb 0.01 -3.27 -0.05 0.00 1.25 0.00 0.00 42.46 40.40 2gcx s ILE 68 CO 0.07 0.03 0.52 -0.70 0.24 0.00 0.00 174.94 175.10 2gcx s GLU 69 N -2.53 3.61 0.06 0.37 2.12 -0.62 -4.81 118.70 116.91 2gcx s GLU 69 Ca 0.62 -0.06 0.05 0.00 0.36 0.00 0.00 54.97 55.93 2gcx s GLU 69 Cb -0.36 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 2gcx s GLU 69 CO 0.45 0.26 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.79 2gcx s LEU 70 N -3.47 2.25 -0.13 2.70 1.43 -1.26 -0.29 118.68 119.90 2gcx s LEU 70 Ca 0.43 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2gcx s LEU 70 Cb -0.11 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.68 2gcx s LEU 70 CO 0.29 -0.07 0.01 -0.70 0.23 0.00 0.00 176.35 176.11 2gcx s GLU 71 N -1.57 0.72 0.51 1.70 2.12 -0.72 -4.93 118.70 116.53 2gcx s GLU 71 Ca -0.02 -0.18 -0.23 0.00 0.36 0.00 0.00 54.97 54.90 2gcx s GLU 71 Cb -0.09 -1.57 -0.06 0.00 0.26 0.00 0.00 34.13 32.66 2gcx s GLU 71 CO 0.02 -0.46 1.35 0.00 -0.54 0.00 0.00 175.26 175.62 2gcx s ALA 72 N 1.89 2.95 1.44 6.30 0.00 -1.26 -0.26 121.76 132.82 2gcx s ALA 72 Ca 0.02 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 2gcx s ALA 72 Cb -0.15 -3.54 0.35 0.00 0.00 0.00 0.00 23.12 19.78 2gcx s ALA 72 CO -0.07 -1.21 0.80 1.33 0.00 0.00 0.00 175.76 176.61 2gcx n VAL 73 N -0.71 0.00 -2.95 0.00 0.24 -1.25 -4.85 118.33 108.81 2gcx n VAL 73 Ca 0.08 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.93 2gcx n VAL 73 Cb 0.45 -0.91 -0.04 0.00 -1.47 0.00 0.00 33.84 31.86 2gcx n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gcx s ALA 74 N -2.14 3.22 -1.85 2.33 0.00 -1.26 -5.08 121.76 116.99 2gcx s ALA 74 Ca 0.61 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2gcx s ALA 74 Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2gcx s ALA 74 CO 0.51 -2.51 0.46 1.04 0.00 0.00 0.00 175.76 175.26