#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 2.44 -0.05 0.03 -2.07 -1.26 -5.13 119.66 113.62 2gcx s GLN 2 Ca 0.00 -0.89 0.03 0.00 -1.82 0.00 0.00 55.36 52.68 2gcx s GLN 2 Cb 0.00 -2.11 -0.03 0.00 -1.09 0.00 0.00 33.01 29.79 2gcx s GLN 2 CO 0.00 0.40 -0.13 -0.59 -1.32 0.00 0.00 175.29 173.65 2gcx s PHE 3 N -0.22 2.76 0.21 9.60 -0.71 -1.26 -5.13 117.98 123.23 2gcx s PHE 3 Ca -0.02 -0.11 0.11 0.00 -1.04 0.00 0.00 56.93 55.87 2gcx s PHE 3 Cb -0.13 -1.64 -0.05 0.00 -1.21 0.00 0.00 43.02 39.99 2gcx s PHE 3 CO 0.03 0.23 -0.21 0.95 -1.34 0.00 0.00 175.22 174.87 2gcx s THR 4 N -0.76 2.24 -0.94 -4.49 -4.23 -1.26 -4.81 115.64 101.38 2gcx s THR 4 Ca 0.12 -2.12 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 2gcx s THR 4 Cb -0.11 -2.11 -0.08 0.00 1.34 0.00 0.00 72.50 71.55 2gcx s THR 4 CO 0.01 -0.26 2.03 -2.16 -0.54 0.00 0.00 174.62 173.70 2gcx s PRO 5 N -2.98 2.31 0.00 3.99 0.04 -1.26 -3.11 135.00 133.99 2gcx s PRO 5 Ca 0.22 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2gcx s PRO 5 Cb -0.06 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.44 2gcx s PRO 5 CO 0.10 -3.78 0.00 -3.47 0.04 0.00 0.00 177.00 169.89 2gcx n ASP 6 N 15.16 0.00 -5.01 6.66 -0.08 -1.26 -4.95 116.55 127.07 2gcx n ASP 6 Ca 0.42 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.53 2gcx n ASP 6 Cb 0.46 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.94 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2gcx s SER 7 N 0.00 5.57 0.34 1.67 0.15 -1.18 -4.97 113.70 115.28 2gcx s SER 7 Ca 0.00 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 56.28 2gcx s SER 7 Cb 0.00 -0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 2gcx s SER 7 CO 0.00 -0.85 0.41 0.00 1.20 0.00 0.00 173.24 174.00 2gcx s ALA 8 N -2.41 4.11 0.18 5.45 0.00 -1.26 -3.63 121.76 124.18 2gcx s ALA 8 Ca 0.56 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2gcx s ALA 8 Cb -0.10 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.56 2gcx s ALA 8 CO 0.34 -0.03 0.48 -1.58 0.00 0.00 0.00 175.76 174.97 2gcx s TRP 9 N -2.23 -0.10 -0.13 0.00 0.52 -0.91 -4.51 118.94 111.58 2gcx s TRP 9 Ca 0.44 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.35 2gcx s TRP 9 Cb -0.08 0.33 0.00 0.00 -1.15 0.00 0.00 33.47 32.57 2gcx s TRP 9 CO 0.29 -0.85 -0.21 0.21 0.02 0.00 0.00 176.95 176.42 2gcx s LYS 10 N -3.86 3.10 0.34 4.98 2.20 -0.55 -1.27 119.74 124.68 2gcx s LYS 10 Ca 0.08 -0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 54.60 2gcx s LYS 10 Cb 0.00 -2.45 -0.09 0.00 -1.51 0.00 0.00 37.83 33.78 2gcx s LYS 10 CO -0.05 0.07 1.08 0.42 -0.36 0.00 0.00 175.35 176.51 2gcx s ILE 11 N 0.63 3.56 -0.34 5.43 1.01 0.38 -1.25 121.20 130.61 2gcx s ILE 11 Ca -0.11 1.37 0.16 0.00 0.00 0.00 0.00 60.65 62.07 2gcx s ILE 11 Cb -0.16 -3.80 0.43 0.00 0.01 0.00 0.00 42.46 38.94 2gcx s ILE 11 CO 0.02 0.18 0.95 0.41 0.00 0.00 0.00 174.94 176.51 2gcx n THR 12 N 0.54 0.66 -1.53 2.92 -1.04 0.43 0.16 114.28 116.41 2gcx n THR 12 Ca 0.02 -3.16 -0.28 0.00 -2.04 0.00 0.00 64.05 58.59 2gcx n THR 12 Cb 0.47 0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 69.41 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 -0.04 -0.22 2.75 3.41 0.00 -1.22 -1.62 105.19 108.25 2gcx n GLY 13 Ca 0.11 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.49 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 9.40 -0.35 0.27 1.61 2.19 -1.26 -4.64 117.98 125.20 2gcx s PHE 14 Ca 1.13 -0.55 0.04 0.00 0.33 0.00 0.00 56.93 57.89 2gcx s PHE 14 Cb -0.57 -0.44 0.04 0.00 -1.31 0.00 0.00 43.02 40.73 2gcx s PHE 14 CO 0.34 -0.95 0.30 0.43 1.83 0.00 0.00 175.22 177.18 2gcx n SER 15 N 4.72 1.36 0.10 6.13 7.64 -1.26 -4.53 113.62 127.80 2gcx n SER 15 Ca 0.05 -1.81 0.05 0.00 1.01 0.00 0.00 58.87 58.18 2gcx n SER 15 Cb 0.45 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.04 1.43 -0.00 -1.99 -3.39 114.38 110.39 2gcx h ARG 16 Ca -0.15 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.17 2gcx h ARG 16 Cb 0.60 0.00 -0.25 0.00 0.00 0.00 0.00 29.97 30.32 2gcx h ARG 16 CO 0.22 0.23 -0.64 -0.40 0.00 0.00 0.00 179.97 179.37 2gcx n ASP 17 N -2.94 -0.08 -4.41 7.04 5.68 -1.26 -5.09 116.55 115.48 2gcx n ASP 17 Ca -0.02 -2.03 -0.51 0.00 -0.50 0.00 0.00 54.79 51.73 2gcx n ASP 17 Cb 0.69 0.05 -0.09 0.00 -1.14 0.00 0.00 41.12 40.64 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gcx n ILE 18 N -0.05 0.09 -1.41 2.12 3.06 -1.26 -4.89 119.36 117.02 2gcx n ILE 18 Ca -0.11 -0.20 -0.33 0.00 -2.50 0.00 0.00 62.75 59.62 2gcx n ILE 18 Cb 0.89 -1.27 0.09 0.00 0.54 0.00 0.00 39.64 39.89 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 7.56 4.44 0.52 9.51 0.01 -1.26 -4.80 113.70 129.69 2gcx s SER 19 Ca 1.15 2.07 0.19 0.00 1.31 0.00 0.00 55.95 60.68 2gcx s SER 19 Cb -1.03 -2.56 1.36 0.00 0.21 0.00 0.00 66.02 64.00 2gcx s SER 19 CO 0.52 -2.09 2.14 1.55 0.41 0.00 0.00 173.24 175.77 2gcx h PRO 20 N -0.59 0.00 -0.71 12.44 0.13 -1.97 -1.74 132.00 139.57 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 1.26 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 2gcx h PRO 20 CO 0.51 0.04 0.23 0.00 -0.23 0.00 0.00 178.00 178.54 2gcx h ALA 21 N 1.96 0.94 0.18 -0.56 0.00 -1.98 1.33 119.26 121.14 2gcx h ALA 21 Ca -0.00 0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.69 2gcx h ALA 21 Cb 0.08 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2gcx h ALA 21 CO 0.01 -0.26 -1.76 1.88 0.00 0.00 0.00 179.25 179.11 2gcx h TYR 22 N 0.36 0.71 0.64 0.00 0.05 -1.83 -3.22 116.97 113.67 2gcx h TYR 22 Ca 0.38 -0.52 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 2gcx h TYR 22 Cb 0.59 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 38.31 2gcx h TYR 22 CO -0.21 1.69 -0.31 -0.09 -1.05 0.00 0.00 178.16 178.19 2gcx h ARG 23 N 0.10 -0.83 -1.01 4.88 9.65 -0.86 -2.90 114.38 123.41 2gcx h ARG 23 Ca -0.35 0.06 0.23 0.00 -1.10 0.00 0.00 59.98 58.82 2gcx h ARG 23 Cb 2.09 0.19 -0.10 0.00 -1.39 0.00 0.00 29.97 30.75 2gcx h ARG 23 CO 0.17 -0.55 0.62 0.37 2.80 0.00 0.00 179.97 183.38 2gcx h GLN 24 N -1.10 0.55 0.35 0.20 4.15 0.15 -1.02 115.11 118.39 2gcx h GLN 24 Ca -0.09 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 2gcx h GLN 24 Cb 0.66 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 2gcx h GLN 24 CO 0.14 0.36 -0.51 -0.22 -1.93 0.00 0.00 178.83 176.68 2gcx h LYS 25 N 0.57 -0.86 -0.62 1.69 3.64 -1.55 -1.11 116.57 118.33 2gcx h LYS 25 Ca 0.59 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 60.06 2gcx h LYS 25 Cb 1.21 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 2gcx h LYS 25 CO -0.36 -0.58 0.38 -0.07 -2.27 0.00 0.00 179.45 176.55 2gcx h LEU 26 N -0.90 0.62 -2.00 5.20 3.38 -1.11 -1.02 115.31 119.48 2gcx h LEU 26 Ca -0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.11 2gcx h LEU 26 Cb 0.82 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2gcx h LEU 26 CO -0.15 0.43 0.46 -0.07 0.09 0.00 0.00 178.44 179.19 2gcx h LEU 27 N 0.74 0.00 -0.69 1.67 3.38 -0.82 0.37 115.31 119.97 2gcx h LEU 27 Ca 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 2gcx h LEU 27 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2gcx h LEU 27 CO -0.11 0.00 -0.10 -1.28 0.09 0.00 0.00 178.44 177.04 2gcx h SER 28 N 0.00 0.90 0.99 -0.43 0.87 0.11 -3.01 113.55 112.99 2gcx h SER 28 Ca 0.29 -0.28 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2gcx h SER 28 Cb 1.20 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2gcx h SER 28 CO -0.00 1.02 -1.07 -0.07 -0.53 0.00 0.00 176.83 176.17 2gcx h LEU 29 N 0.81 0.00 0.00 2.23 3.38 -0.76 -3.48 115.31 117.49 2gcx h LEU 29 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2gcx h LEU 29 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2gcx h LEU 29 CO 0.04 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.65 2gcx n GLY 30 N 1.31 1.18 3.43 0.83 0.00 0.10 -5.05 105.19 107.00 2gcx n GLY 30 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.29 3.57 0.28 1.61 -1.94 -0.73 -4.96 119.30 116.84 2gcx s MET 31 Ca 0.00 -1.84 0.08 0.00 -1.71 0.00 0.00 55.69 52.21 2gcx s MET 31 Cb 0.00 -4.80 -0.04 0.00 2.01 0.00 0.00 34.83 32.00 2gcx s MET 31 CO 0.00 -1.69 0.17 -0.51 -0.01 0.00 0.00 175.02 172.98 2gcx s LEU 32 N 2.30 3.57 -0.48 -0.03 1.02 -1.26 -4.37 118.68 119.43 2gcx s LEU 32 Ca 0.29 -0.45 -0.42 0.00 0.02 0.00 0.00 54.13 53.58 2gcx s LEU 32 Cb -0.06 -2.11 -0.17 0.00 0.02 0.00 0.00 46.19 43.87 2gcx s LEU 32 CO -0.09 -0.13 2.16 -2.65 0.02 0.00 0.00 176.35 175.67 2gcx n PRO 33 N -1.15 0.25 0.00 1.29 -0.02 -1.26 -2.09 135.00 132.01 2gcx n PRO 33 Ca -0.06 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2gcx n PRO 33 Cb 0.59 -1.72 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 7.26 1.41 3.62 -1.23 0.00 0.42 -4.94 105.19 111.74 2gcx n GLY 34 Ca 0.52 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 2gcx n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gcx s SER 35 N -2.00 5.19 0.21 1.61 0.01 -0.89 -4.87 113.70 112.96 2gcx s SER 35 Ca 0.00 0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.20 2gcx s SER 35 Cb 0.00 -1.66 -0.07 0.00 0.21 0.00 0.00 66.02 64.50 2gcx s SER 35 CO 0.00 0.28 0.56 -0.44 0.41 0.00 0.00 173.24 174.05 2gcx s SER 36 N -0.29 6.71 0.32 2.44 0.01 -1.26 0.14 113.70 121.78 2gcx s SER 36 Ca 0.06 1.01 -0.18 0.00 1.31 0.00 0.00 55.95 58.16 2gcx s SER 36 Cb -0.12 -2.26 0.06 0.00 0.21 0.00 0.00 66.02 63.91 2gcx s SER 36 CO 0.02 -0.02 0.88 0.72 0.41 0.00 0.00 173.24 175.25 2gcx s PHE 37 N -1.70 0.12 0.14 2.43 -0.71 -0.39 -4.75 117.98 113.12 2gcx s PHE 37 Ca 0.44 -0.72 0.08 0.00 -1.04 0.00 0.00 56.93 55.70 2gcx s PHE 37 Cb -0.13 0.80 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 2gcx s PHE 37 CO 0.20 -1.38 -0.19 -1.01 -1.34 0.00 0.00 175.22 171.51 2gcx s HIS 38 N -2.17 1.79 0.04 3.49 3.76 -0.77 -2.15 115.29 119.27 2gcx s HIS 38 Ca 0.18 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.49 2gcx s HIS 38 Cb -0.04 -0.92 -0.06 0.00 1.11 0.00 0.00 32.58 32.66 2gcx s HIS 38 CO 0.10 0.28 0.44 0.08 -0.85 0.00 0.00 174.74 174.79 2gcx s VAL 39 N -1.75 4.98 -0.25 -0.90 1.01 -1.24 -0.95 120.40 121.31 2gcx s VAL 39 Ca 0.12 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 2gcx s VAL 39 Cb -0.07 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 2gcx s VAL 39 CO 0.06 0.50 -0.27 0.52 0.00 0.00 0.00 175.10 175.91 2gcx n VAL 40 N 1.56 1.38 -3.21 2.92 0.31 -0.36 -4.16 118.33 116.76 2gcx n VAL 40 Ca -0.12 -0.44 0.04 0.00 -0.01 0.00 0.00 64.34 63.81 2gcx n VAL 40 Cb 0.52 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.47 0.12 0.09 5.55 1.70 -1.26 -4.75 118.95 117.94 2gcx s ARG 41 Ca -0.34 0.27 0.02 0.00 -0.47 0.00 0.00 55.73 55.21 2gcx s ARG 41 Cb 0.11 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 2gcx s ARG 41 CO 0.50 -0.08 -0.07 0.54 -1.08 0.00 0.00 175.30 175.11 2gcx s VAL 42 N 2.54 0.69 0.04 4.99 0.11 -1.26 -3.83 120.40 123.67 2gcx s VAL 42 Ca -0.02 -1.84 0.02 0.00 -2.93 0.00 0.00 61.98 57.21 2gcx s VAL 42 Cb -0.06 -1.56 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 2gcx s VAL 42 CO -0.13 -0.81 0.04 0.00 -3.33 0.00 0.00 175.10 170.86 2gcx s ALA 43 N -3.35 3.42 -0.36 1.54 0.00 -1.26 -4.81 121.76 116.94 2gcx s ALA 43 Ca 0.09 -0.99 0.26 0.00 0.00 0.00 0.00 51.96 51.32 2gcx s ALA 43 Cb 0.03 -1.37 1.06 0.00 0.00 0.00 0.00 23.12 22.84 2gcx s ALA 43 CO -0.04 0.70 1.78 -1.00 0.00 0.00 0.00 175.76 177.19 2gcx h PRO 44 N 3.78 0.00 0.00 0.00 0.13 -1.99 -3.36 132.00 130.56 2gcx h PRO 44 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2gcx h PRO 44 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gcx h PRO 44 CO 0.61 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.27 2gcx n LEU 45 N -2.44 0.30 -2.77 1.56 7.94 -1.26 -5.05 117.00 115.28 2gcx n LEU 45 Ca 0.02 0.09 0.03 0.00 -1.11 0.00 0.00 56.01 55.04 2gcx n LEU 45 Cb 0.26 -0.32 0.01 0.00 0.53 0.00 0.00 43.42 43.89 2gcx n LEU 45 CO 0.22 -0.32 0.54 -0.83 -1.11 0.00 0.00 177.39 175.89 2gcx s GLY 46 N -2.11 -1.47 0.24 -3.96 0.00 -1.26 -5.11 107.32 93.66 2gcx s GLY 46 Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.33 2gcx s GLY 46 CO 0.00 4.37 0.14 0.99 0.00 0.00 0.00 173.10 178.60 2gcx s ASP 47 N 2.15 0.76 -0.29 1.64 1.11 -1.26 -4.92 116.67 115.87 2gcx s ASP 47 Ca 0.17 -1.44 -0.25 0.00 0.18 0.00 0.00 52.55 51.21 2gcx s ASP 47 Cb 0.04 0.34 0.00 0.00 1.07 0.00 0.00 42.92 44.36 2gcx s ASP 47 CO -0.17 -0.83 0.87 -2.16 1.18 0.00 0.00 175.17 174.05 2gcx s PRO 48 N -4.02 4.06 0.17 8.23 0.05 -1.26 -3.73 135.00 138.50 2gcx s PRO 48 Ca 0.38 0.82 0.07 0.00 0.05 0.00 0.00 61.00 62.32 2gcx s PRO 48 Cb 0.07 -3.70 -0.04 0.00 0.05 0.00 0.00 34.50 30.87 2gcx s PRO 48 CO 0.14 -0.67 0.01 0.54 0.05 0.00 0.00 177.00 177.08 2gcx s VAL 49 N 3.06 3.82 -0.12 -0.36 0.11 -0.03 -4.83 120.40 122.06 2gcx s VAL 49 Ca 0.36 -1.35 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 2gcx s VAL 49 Cb -0.14 -2.92 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 2gcx s VAL 49 CO 0.11 -0.09 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.75 2gcx s HIS 50 N -1.70 3.02 -0.03 1.54 3.76 -1.25 0.48 115.29 121.12 2gcx s HIS 50 Ca 0.28 -0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 2gcx s HIS 50 Cb -0.10 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 2gcx s HIS 50 CO 0.19 0.11 0.06 0.96 -0.85 0.00 0.00 174.74 175.21 2gcx s ILE 51 N -0.08 4.63 -0.33 0.60 -4.36 0.37 -1.23 121.20 120.80 2gcx s ILE 51 Ca 0.02 -0.37 -0.05 0.00 -0.26 0.00 0.00 60.65 59.99 2gcx s ILE 51 Cb -0.13 -3.07 0.04 0.00 1.25 0.00 0.00 42.46 40.55 2gcx s ILE 51 CO 0.03 0.41 0.07 -0.70 0.24 0.00 0.00 174.94 174.99 2gcx s GLU 52 N -1.52 2.56 0.06 0.37 2.12 -0.12 0.20 118.70 122.38 2gcx s GLU 52 Ca 0.20 -1.20 0.01 0.00 0.36 0.00 0.00 54.97 54.33 2gcx s GLU 52 Cb -0.12 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.91 2gcx s GLU 52 CO 0.11 -0.65 0.04 0.25 -0.54 0.00 0.00 175.26 174.47 2gcx n THR 53 N 4.75 0.00 -1.53 -1.70 -2.24 0.25 -1.85 114.28 111.96 2gcx n THR 53 Ca -0.13 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 2gcx n THR 53 Cb 0.44 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.15 2gcx n THR 53 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2gcx n ARG 54 N -0.61 0.47 -1.84 -0.78 3.00 -1.26 -1.47 116.66 114.15 2gcx n ARG 54 Ca -0.00 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.85 57.50 2gcx n ARG 54 Cb 0.07 -2.56 -0.04 0.00 0.00 0.00 0.00 32.46 29.93 2gcx n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2gcx n ARG 55 N 8.19 -1.64 -3.57 -0.14 1.74 -1.26 -4.91 116.66 115.06 2gcx n ARG 55 Ca 0.53 0.79 -0.15 0.00 -0.77 0.00 0.00 57.85 58.24 2gcx n ARG 55 Cb 0.31 -5.20 -0.13 0.00 -1.02 0.00 0.00 32.46 26.42 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 -2.43 -0.38 -0.42 1.55 1.01 -0.55 -5.12 120.40 114.07 2gcx s VAL 56 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 2gcx s VAL 56 Cb 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.87 2gcx s VAL 56 CO 0.00 -0.03 0.31 -0.55 0.00 0.00 0.00 175.10 174.83 2gcx s SER 57 N 2.38 6.01 0.29 3.32 0.15 -1.26 0.85 113.70 125.44 2gcx s SER 57 Ca 0.05 -1.10 0.05 0.00 0.70 0.00 0.00 55.95 55.65 2gcx s SER 57 Cb -0.14 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 2gcx s SER 57 CO -0.10 -0.50 0.42 -0.22 1.20 0.00 0.00 173.24 174.04 2gcx s LEU 58 N 1.62 4.14 -0.14 3.45 2.96 0.13 -4.89 118.68 125.95 2gcx s LEU 58 Ca 0.04 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2gcx s LEU 58 Cb -0.21 -2.84 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 2gcx s LEU 58 CO 0.08 -0.26 -0.17 0.54 -1.32 0.00 0.00 176.35 175.22 2gcx s VAL 59 N -2.09 2.56 0.36 1.68 0.11 -1.26 0.14 120.40 121.89 2gcx s VAL 59 Ca 0.40 -0.82 0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2gcx s VAL 59 Cb -0.09 -2.06 -0.06 0.00 -1.53 0.00 0.00 36.38 32.63 2gcx s VAL 59 CO 0.30 0.53 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.79 2gcx s LEU 60 N 0.70 2.82 0.04 2.54 1.43 0.18 -4.95 118.68 121.43 2gcx s LEU 60 Ca -0.08 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 2gcx s LEU 60 Cb -0.16 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 2gcx s LEU 60 CO 0.01 -0.26 -0.04 -0.60 0.23 0.00 0.00 176.35 175.69 2gcx s ARG 61 N -3.66 0.49 0.58 1.70 3.52 -1.26 -0.85 118.95 119.47 2gcx s ARG 61 Ca 0.34 -0.92 0.33 0.00 -0.13 0.00 0.00 55.73 55.34 2gcx s ARG 61 Cb 0.03 0.07 1.37 0.00 -1.56 0.00 0.00 34.95 34.86 2gcx s ARG 61 CO 0.17 -0.06 1.67 -0.22 -0.81 0.00 0.00 175.30 176.06 2gcx h LYS 62 N 3.93 0.00 0.00 5.12 1.63 -1.92 1.29 116.57 126.62 2gcx h LYS 62 Ca -0.33 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.28 2gcx h LYS 62 Cb 1.18 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.78 2gcx h LYS 62 CO 0.52 0.00 -0.90 1.57 -3.45 0.00 0.00 179.45 177.20 2gcx h LYS 63 N 0.00 0.00 0.07 1.90 2.10 -1.95 -2.69 116.57 116.01 2gcx h LYS 63 Ca 0.46 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.85 2gcx h LYS 63 Cb 2.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.55 2gcx h LYS 63 CO -0.00 0.90 -1.29 0.22 -2.00 0.00 0.00 179.45 177.27 2gcx h ASP 64 N 0.00 0.24 1.27 7.07 1.82 0.12 -3.29 116.42 123.65 2gcx h ASP 64 Ca -0.01 -0.29 -0.08 0.00 -0.39 0.00 0.00 57.03 56.27 2gcx h ASP 64 Cb 1.66 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 2gcx h ASP 64 CO 0.12 1.23 -0.37 -0.07 -1.61 0.00 0.00 179.24 178.54 2gcx h LEU 65 N 0.04 0.00 -2.32 2.28 4.07 -1.13 -3.14 115.31 115.11 2gcx h LEU 65 Ca -0.14 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.85 2gcx h LEU 65 Cb 1.92 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.66 2gcx h LEU 65 CO 0.16 0.37 0.10 0.00 -1.08 0.00 0.00 178.44 177.99 2gcx h ALA 66 N 1.63 1.70 0.00 1.53 0.00 -1.54 -3.16 119.26 119.41 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 1.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2gcx h ALA 66 CO 0.05 -0.15 -0.54 1.28 0.00 0.00 0.00 179.25 179.89 2gcx n LEU 67 N -3.88 1.71 -4.75 0.00 4.77 -1.19 -4.95 117.00 108.70 2gcx n LEU 67 Ca -0.01 0.57 -0.35 0.00 -0.03 0.00 0.00 56.01 56.19 2gcx n LEU 67 Cb 0.20 -0.83 0.04 0.00 -2.33 0.00 0.00 43.42 40.50 2gcx n LEU 67 CO 0.28 -0.45 0.82 0.27 -1.33 0.00 0.00 177.39 176.98 2gcx s ILE 68 N -2.25 2.69 -0.00 -0.08 -4.36 -1.20 -3.98 121.20 112.02 2gcx s ILE 68 Ca -0.16 0.40 -0.02 0.00 -0.26 0.00 0.00 60.65 60.62 2gcx s ILE 68 Cb 0.02 -3.09 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 2gcx s ILE 68 CO 0.23 -0.12 0.15 -0.70 0.24 0.00 0.00 174.94 174.74 2gcx s GLU 69 N -3.51 3.31 0.26 0.37 2.56 -0.64 -4.80 118.70 116.24 2gcx s GLU 69 Ca 0.75 -0.39 0.09 0.00 0.00 0.00 0.00 54.97 55.43 2gcx s GLU 69 Cb -0.28 -3.01 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 2gcx s GLU 69 CO 0.35 0.66 0.01 -1.17 -0.56 0.00 0.00 175.26 174.55 2gcx s LEU 70 N -1.92 3.24 -0.04 2.70 2.96 -1.26 0.16 118.68 124.52 2gcx s LEU 70 Ca 0.26 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 2gcx s LEU 70 Cb -0.12 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2gcx s LEU 70 CO 0.18 0.01 0.19 -0.70 -1.32 0.00 0.00 176.35 174.71 2gcx s GLU 71 N -3.61 0.39 0.79 1.98 2.56 -0.38 -4.86 118.70 115.58 2gcx s GLU 71 Ca 0.31 -0.05 -0.11 0.00 0.00 0.00 0.00 54.97 55.11 2gcx s GLU 71 Cb -0.07 0.17 0.07 0.00 2.00 0.00 0.00 34.13 36.30 2gcx s GLU 71 CO 0.20 -0.08 1.09 0.00 -0.56 0.00 0.00 175.26 175.91 2gcx s ALA 72 N -0.68 2.23 0.29 6.30 0.00 -1.26 -1.48 121.76 127.16 2gcx s ALA 72 Ca -0.08 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2gcx s ALA 72 Cb -0.04 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2gcx s ALA 72 CO 0.01 -1.73 0.12 0.14 0.00 0.00 0.00 175.76 174.31 2gcx s VAL 73 N -3.10 3.64 0.52 0.00 -7.23 -1.26 -4.68 120.40 108.29 2gcx s VAL 73 Ca 0.61 -1.65 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 2gcx s VAL 73 Cb -0.15 -3.08 0.07 0.00 0.56 0.00 0.00 36.38 33.78 2gcx s VAL 73 CO 0.55 -0.30 0.58 0.00 -0.31 0.00 0.00 175.10 175.62 2gcx n ALA 74 N -1.09 0.98 -0.42 1.32 0.00 -1.26 -5.10 120.51 114.93 2gcx n ALA 74 Ca -0.05 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.42 2gcx n ALA 74 Cb 0.59 0.66 0.00 0.00 0.00 0.00 0.00 19.45 20.70 2gcx n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50