#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 1.86 -0.53 2.12 -0.21 -1.26 -4.98 119.66 116.67 2gcx s GLN 2 Ca 0.00 -0.06 -0.28 0.00 0.02 0.00 0.00 55.36 55.04 2gcx s GLN 2 Cb 0.00 -2.00 0.02 0.00 1.00 0.00 0.00 33.01 32.03 2gcx s GLN 2 CO 0.00 -1.61 1.36 -0.06 -2.12 0.00 0.00 175.29 172.86 2gcx s PHE 3 N -3.53 2.40 0.16 0.91 0.08 -1.26 -5.00 117.98 111.74 2gcx s PHE 3 Ca 0.63 0.53 0.11 0.00 0.12 0.00 0.00 56.93 58.31 2gcx s PHE 3 Cb -0.10 -4.40 -0.04 0.00 -0.57 0.00 0.00 43.02 37.91 2gcx s PHE 3 CO 0.48 -1.86 -0.22 0.95 -0.10 0.00 0.00 175.22 174.48 2gcx s THR 4 N 5.63 2.54 -1.11 0.64 -4.23 -1.26 -4.57 115.64 113.27 2gcx s THR 4 Ca 0.52 -1.81 -0.22 0.00 -1.18 0.00 0.00 61.69 59.00 2gcx s THR 4 Cb -0.11 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 2gcx s THR 4 CO 0.27 -0.02 1.80 -2.16 -0.54 0.00 0.00 174.62 173.97 2gcx s PRO 5 N -2.44 3.06 0.00 3.99 0.04 -1.26 -3.38 135.00 135.01 2gcx s PRO 5 Ca 0.19 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.10 2gcx s PRO 5 Cb -0.09 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2gcx s PRO 5 CO 0.10 -3.10 0.00 -3.47 0.04 0.00 0.00 177.00 170.57 2gcx n ASP 6 N 11.86 0.00 -4.97 6.66 -0.08 -1.26 -5.02 116.55 123.75 2gcx n ASP 6 Ca 0.42 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.51 2gcx n ASP 6 Cb 0.47 0.00 0.01 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 -0.69 5.21 0.40 1.67 0.15 -1.22 -5.03 113.70 114.20 2gcx s SER 7 Ca 0.00 -0.73 0.08 0.00 0.70 0.00 0.00 55.95 56.00 2gcx s SER 7 Cb 0.00 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2gcx s SER 7 CO 0.00 -0.93 0.36 0.00 1.20 0.00 0.00 173.24 173.86 2gcx s ALA 8 N -2.52 4.02 0.20 5.45 0.00 -1.26 -3.68 121.76 123.96 2gcx s ALA 8 Ca 0.52 -1.86 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 2gcx s ALA 8 Cb -0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2gcx s ALA 8 CO 0.32 -0.19 0.29 -1.58 0.00 0.00 0.00 175.76 174.61 2gcx s TRP 9 N -2.45 0.64 -0.03 0.00 0.52 -0.51 -3.74 118.94 113.37 2gcx s TRP 9 Ca 0.47 -0.96 0.06 0.00 0.02 0.00 0.00 56.10 55.69 2gcx s TRP 9 Cb -0.03 -0.14 -0.01 0.00 -1.15 0.00 0.00 33.47 32.13 2gcx s TRP 9 CO 0.28 -0.78 -0.20 0.15 0.02 0.00 0.00 176.95 176.41 2gcx s LYS 10 N -4.05 1.81 -0.28 4.98 1.02 0.90 -0.15 119.74 123.97 2gcx s LYS 10 Ca 0.26 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 2gcx s LYS 10 Cb 0.03 -1.66 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 2gcx s LYS 10 CO 0.07 0.38 1.05 0.42 -0.92 0.00 0.00 175.35 176.34 2gcx s ILE 11 N -0.29 4.60 -0.41 2.17 1.01 0.25 -1.57 121.20 126.96 2gcx s ILE 11 Ca 0.03 1.86 0.11 0.00 0.00 0.00 0.00 60.65 62.65 2gcx s ILE 11 Cb -0.10 -4.36 0.41 0.00 0.01 0.00 0.00 42.46 38.43 2gcx s ILE 11 CO 0.01 -0.33 0.97 0.41 0.00 0.00 0.00 174.94 175.99 2gcx n THR 12 N 5.60 1.57 -1.52 2.92 -1.04 0.29 0.11 114.28 122.21 2gcx n THR 12 Ca 0.12 -4.31 -0.31 0.00 -2.04 0.00 0.00 64.05 57.50 2gcx n THR 12 Cb 0.47 -0.44 -0.12 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.25 2.69 3.41 0.00 -1.25 -1.67 105.19 107.96 2gcx n GLY 13 Ca 0.25 0.65 -0.20 0.00 0.00 0.00 0.00 46.02 46.72 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 9.10 -0.16 0.23 1.61 5.36 -1.26 -4.81 117.98 128.06 2gcx s PHE 14 Ca 1.18 -0.64 0.09 0.00 -0.96 0.00 0.00 56.93 56.59 2gcx s PHE 14 Cb -0.69 -0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 41.38 2gcx s PHE 14 CO 0.38 -0.91 0.01 -1.12 -1.46 0.00 0.00 175.22 172.11 2gcx s SER 15 N 1.89 4.67 0.61 6.13 0.01 -1.26 -4.54 113.70 121.21 2gcx s SER 15 Ca 0.13 -0.53 0.28 0.00 1.31 0.00 0.00 55.95 57.13 2gcx s SER 15 Cb -0.16 -0.93 1.45 0.00 0.21 0.00 0.00 66.02 66.59 2gcx s SER 15 CO -0.21 0.03 1.86 0.08 0.41 0.00 0.00 173.24 175.41 2gcx h ARG 16 N 2.17 0.00 -0.05 12.44 -0.00 -2.01 -3.01 114.38 123.91 2gcx h ARG 16 Ca -0.46 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.33 2gcx h ARG 16 Cb 1.23 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 31.03 2gcx h ARG 16 CO 0.59 0.00 -0.36 -3.47 -0.00 0.00 0.00 179.97 176.73 2gcx n ASP 17 N -3.47 -1.32 -4.54 0.08 2.03 -1.26 -5.13 116.55 102.94 2gcx n ASP 17 Ca 0.06 -2.28 -0.59 0.00 0.52 0.00 0.00 54.79 52.51 2gcx n ASP 17 Cb 0.64 0.67 -0.08 0.00 -0.72 0.00 0.00 41.12 41.63 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 -1.24 0.00 -2.81 5.18 3.06 -1.14 -4.91 119.36 117.50 2gcx n ILE 18 Ca -0.12 -0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.78 2gcx n ILE 18 Cb 0.87 -0.16 -0.07 0.00 0.54 0.00 0.00 39.64 40.82 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 0.38 7.12 0.49 9.51 0.15 -1.26 -4.96 113.70 125.13 2gcx s SER 19 Ca 0.92 1.74 0.19 0.00 0.70 0.00 0.00 55.95 59.50 2gcx s SER 19 Cb -1.25 -2.55 1.25 0.00 -1.71 0.00 0.00 66.02 61.75 2gcx s SER 19 CO 0.58 -0.22 2.07 1.55 1.20 0.00 0.00 173.24 178.43 2gcx h PRO 20 N 2.51 0.00 -0.81 5.44 0.13 -1.97 -2.69 132.00 134.60 2gcx h PRO 20 Ca -0.48 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.82 2gcx h PRO 20 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 2gcx h PRO 20 CO 0.63 0.11 0.33 0.00 -0.23 0.00 0.00 178.00 178.84 2gcx h ALA 21 N 1.89 1.19 0.09 -0.56 0.00 -1.96 1.29 119.26 121.20 2gcx h ALA 21 Ca -0.00 0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 2gcx h ALA 21 Cb 0.22 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2gcx h ALA 21 CO 0.01 -0.26 -1.16 1.88 0.00 0.00 0.00 179.25 179.73 2gcx h TYR 22 N 0.43 0.33 0.54 0.00 0.05 -1.91 -3.22 116.97 113.18 2gcx h TYR 22 Ca 0.47 -0.24 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 2gcx h TYR 22 Cb 0.79 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.52 2gcx h TYR 22 CO -0.16 1.45 -0.26 -0.09 -1.05 0.00 0.00 178.16 178.05 2gcx h ARG 23 N -0.50 -0.70 0.00 4.88 9.65 -1.15 -2.58 114.38 123.98 2gcx h ARG 23 Ca -0.26 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2gcx h ARG 23 Cb 1.59 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 30.33 2gcx h ARG 23 CO 0.02 -0.47 0.20 1.96 2.80 0.00 0.00 179.97 184.48 2gcx h GLN 24 N -1.05 0.00 0.17 0.20 1.08 0.14 0.23 115.11 115.88 2gcx h GLN 24 Ca -0.07 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.83 2gcx h GLN 24 Cb 0.56 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2gcx h GLN 24 CO 0.12 0.00 -1.35 -0.22 -0.95 0.00 0.00 178.83 176.44 2gcx h LYS 25 N 0.00 0.37 -0.00 1.46 3.64 -1.51 -3.31 116.57 117.21 2gcx h LYS 25 Ca 0.00 -0.63 -0.19 0.00 -1.27 0.00 0.00 60.65 58.56 2gcx h LYS 25 Cb 0.40 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2gcx h LYS 25 CO 0.00 1.30 -0.85 -0.07 -2.27 0.00 0.00 179.45 177.56 2gcx h LEU 26 N 0.10 0.24 -1.63 5.20 3.38 -0.57 -3.19 115.31 118.84 2gcx h LEU 26 Ca -0.18 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.67 2gcx h LEU 26 Cb 2.05 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.69 2gcx h LEU 26 CO 0.23 0.98 0.37 -0.07 0.09 0.00 0.00 178.44 180.04 2gcx h LEU 27 N 0.11 0.39 -0.78 1.67 3.38 -1.43 -0.99 115.31 117.65 2gcx h LEU 27 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2gcx h LEU 27 Cb 1.47 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2gcx h LEU 27 CO 0.13 0.25 0.22 0.28 0.09 0.00 0.00 178.44 179.40 2gcx h SER 28 N 0.44 1.06 1.51 -0.43 0.02 -1.64 -2.54 113.55 111.97 2gcx h SER 28 Ca 0.25 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2gcx h SER 28 Cb 0.40 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2gcx h SER 28 CO -0.07 0.99 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.25 2gcx h LEU 29 N 1.08 0.00 0.00 5.07 -0.00 -1.38 -3.47 115.31 116.61 2gcx h LEU 29 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2gcx h LEU 29 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2gcx h LEU 29 CO -0.01 0.29 0.00 0.61 -0.00 0.00 0.00 178.44 179.33 2gcx n GLY 30 N 0.94 1.23 3.33 0.83 0.00 -0.49 -5.07 105.19 105.97 2gcx n GLY 30 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.04 3.11 0.21 1.61 -1.94 -0.62 -4.99 119.30 116.64 2gcx s MET 31 Ca 0.00 -1.75 0.05 0.00 -1.71 0.00 0.00 55.69 52.28 2gcx s MET 31 Cb 0.00 -4.33 -0.03 0.00 2.01 0.00 0.00 34.83 32.48 2gcx s MET 31 CO 0.00 -1.38 0.26 -0.51 -0.01 0.00 0.00 175.02 173.38 2gcx s LEU 32 N 1.62 4.10 -0.38 -0.03 1.02 -1.26 -4.17 118.68 119.58 2gcx s LEU 32 Ca 0.08 -0.02 -0.38 0.00 0.02 0.00 0.00 54.13 53.82 2gcx s LEU 32 Cb -0.25 -2.66 -0.14 0.00 0.02 0.00 0.00 46.19 43.16 2gcx s LEU 32 CO 0.02 -0.01 2.12 -2.65 0.02 0.00 0.00 176.35 175.85 2gcx n PRO 33 N -0.96 0.77 0.00 1.29 -0.02 -1.26 -2.08 135.00 132.73 2gcx n PRO 33 Ca -0.08 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2gcx n PRO 33 Cb 0.56 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 6.54 1.83 3.93 -1.23 0.00 0.30 -4.96 105.19 111.60 2gcx n GLY 34 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 5.45 0.22 1.61 0.15 -0.73 -4.83 113.70 113.56 2gcx s SER 35 Ca 0.00 0.52 0.11 0.00 0.70 0.00 0.00 55.95 57.27 2gcx s SER 35 Cb 0.00 -1.47 -0.05 0.00 -1.71 0.00 0.00 66.02 62.79 2gcx s SER 35 CO 0.00 -1.11 -0.20 -0.44 1.20 0.00 0.00 173.24 172.68 2gcx s SER 36 N -4.34 3.22 0.22 5.45 0.01 -1.26 0.85 113.70 117.85 2gcx s SER 36 Ca 0.54 -0.93 -0.21 0.00 1.31 0.00 0.00 55.95 56.66 2gcx s SER 36 Cb -0.10 -0.23 0.07 0.00 0.21 0.00 0.00 66.02 65.96 2gcx s SER 36 CO 0.43 0.03 0.99 0.72 0.41 0.00 0.00 173.24 175.82 2gcx s PHE 37 N -2.17 0.08 -0.09 2.43 -0.71 0.79 -4.74 117.98 113.57 2gcx s PHE 37 Ca 0.23 -0.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.60 2gcx s PHE 37 Cb -0.06 0.73 0.02 0.00 -1.21 0.00 0.00 43.02 42.50 2gcx s PHE 37 CO 0.10 -1.05 -0.11 -1.58 -1.34 0.00 0.00 175.22 171.24 2gcx s HIS 38 N -2.20 1.57 0.15 3.49 2.46 -0.64 -1.43 115.29 118.69 2gcx s HIS 38 Ca 0.21 -0.69 -0.30 0.00 0.47 0.00 0.00 55.06 54.74 2gcx s HIS 38 Cb -0.03 -1.20 -0.07 0.00 -0.13 0.00 0.00 32.58 31.15 2gcx s HIS 38 CO 0.06 -0.40 1.12 0.14 -2.47 0.00 0.00 174.74 173.19 2gcx s VAL 39 N 1.09 3.90 -0.22 0.89 -7.23 -1.24 -1.03 120.40 116.55 2gcx s VAL 39 Ca -0.06 1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 61.51 2gcx s VAL 39 Cb -0.14 -4.00 -0.14 0.00 0.56 0.00 0.00 36.38 32.65 2gcx s VAL 39 CO -0.02 0.24 -0.05 0.52 -0.31 0.00 0.00 175.10 175.48 2gcx n VAL 40 N 2.69 1.51 -3.73 1.32 0.31 -0.51 -4.27 118.33 115.65 2gcx n VAL 40 Ca 0.04 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 2gcx n VAL 40 Cb 0.46 -2.06 -0.12 0.00 -0.91 0.00 0.00 33.84 31.21 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 -2.43 0.31 0.09 5.55 1.70 -1.26 -4.60 118.95 118.31 2gcx s ARG 41 Ca -0.30 0.56 -0.08 0.00 -0.47 0.00 0.00 55.73 55.45 2gcx s ARG 41 Cb 0.08 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.47 2gcx s ARG 41 CO 0.50 -0.12 0.16 0.08 -1.08 0.00 0.00 175.30 174.85 2gcx s VAL 42 N 0.89 0.15 -0.22 4.99 1.01 -1.26 -3.87 120.40 122.08 2gcx s VAL 42 Ca -0.06 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 2gcx s VAL 42 Cb -0.07 -1.40 0.09 0.00 0.00 0.00 0.00 36.38 35.00 2gcx s VAL 42 CO -0.06 -0.67 0.51 0.00 0.00 0.00 0.00 175.10 174.87 2gcx s ALA 43 N -3.88 -1.42 0.61 5.51 0.00 -1.26 -4.81 121.76 116.50 2gcx s ALA 43 Ca 0.06 1.83 0.30 0.00 0.00 0.00 0.00 51.96 54.16 2gcx s ALA 43 Cb 0.05 -1.32 1.70 0.00 0.00 0.00 0.00 23.12 23.55 2gcx s ALA 43 CO -0.10 -0.59 2.08 -1.35 0.00 0.00 0.00 175.76 175.79 2gcx h PRO 44 N 7.66 0.00 0.00 0.00 0.11 -1.97 -0.06 132.00 137.73 2gcx h PRO 44 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2gcx h PRO 44 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2gcx h PRO 44 CO 0.17 0.00 -0.05 1.25 -0.21 0.00 0.00 178.00 179.16 2gcx h LEU 45 N 0.00 0.00 0.00 2.35 5.85 -2.03 -3.46 115.31 118.03 2gcx h LEU 45 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2gcx h LEU 45 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2gcx h LEU 45 CO -0.00 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 2gcx n GLY 46 N -0.80 0.75 3.57 3.75 0.00 -0.04 -5.16 105.19 107.26 2gcx n GLY 46 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.69 3.44 -0.24 1.61 1.11 -1.20 -4.93 116.67 115.77 2gcx s ASP 47 Ca 0.00 -1.38 -0.25 0.00 0.18 0.00 0.00 52.55 51.11 2gcx s ASP 47 Cb 0.00 -0.30 -0.01 0.00 1.07 0.00 0.00 42.92 43.69 2gcx s ASP 47 CO 0.00 -0.50 0.83 -2.16 1.18 0.00 0.00 175.17 174.52 2gcx s PRO 48 N -3.76 4.19 0.25 8.23 0.05 -1.26 -3.37 135.00 139.32 2gcx s PRO 48 Ca 0.35 0.95 0.07 0.00 0.05 0.00 0.00 61.00 62.42 2gcx s PRO 48 Cb 0.10 -3.64 -0.04 0.00 0.05 0.00 0.00 34.50 30.97 2gcx s PRO 48 CO 0.17 -0.50 0.17 0.54 0.05 0.00 0.00 177.00 177.43 2gcx s VAL 49 N 2.78 4.32 -0.13 -0.36 0.11 0.60 -4.81 120.40 122.91 2gcx s VAL 49 Ca 0.35 -1.47 0.02 0.00 -2.93 0.00 0.00 61.98 57.95 2gcx s VAL 49 Cb -0.15 -3.33 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 2gcx s VAL 49 CO 0.08 -0.35 -0.17 -1.00 -3.33 0.00 0.00 175.10 170.33 2gcx s HIS 50 N -2.15 2.26 -0.05 1.54 3.76 -1.25 -0.42 115.29 118.97 2gcx s HIS 50 Ca 0.33 -1.16 -0.09 0.00 -0.15 0.00 0.00 55.06 53.98 2gcx s HIS 50 Cb -0.08 -1.61 -0.05 0.00 1.11 0.00 0.00 32.58 31.96 2gcx s HIS 50 CO 0.24 -0.59 0.26 0.96 -0.85 0.00 0.00 174.74 174.77 2gcx s ILE 51 N 1.09 5.30 -0.24 0.60 -4.36 0.25 -1.42 121.20 122.42 2gcx s ILE 51 Ca -0.03 0.41 -0.07 0.00 -0.26 0.00 0.00 60.65 60.70 2gcx s ILE 51 Cb -0.14 -3.54 -0.03 0.00 1.25 0.00 0.00 42.46 40.00 2gcx s ILE 51 CO -0.05 0.55 0.06 -1.61 0.24 0.00 0.00 174.94 174.12 2gcx s GLU 52 N -1.22 3.65 0.00 0.37 2.02 -0.20 0.48 118.70 123.79 2gcx s GLU 52 Ca 0.21 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.71 2gcx s GLU 52 Cb -0.14 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2gcx s GLU 52 CO 0.10 -0.15 0.00 0.25 0.02 0.00 0.00 175.26 175.48 2gcx n THR 53 N 4.79 0.00 -1.52 3.63 -2.24 -0.34 -1.62 114.28 116.98 2gcx n THR 53 Ca -0.16 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 2gcx n THR 53 Cb 0.51 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.00 0.24 -2.29 -0.78 3.00 -1.26 -1.82 116.66 113.75 2gcx n ARG 54 Ca 0.00 -0.18 -0.05 0.00 -0.00 0.00 0.00 57.85 57.63 2gcx n ARG 54 Cb 0.00 -1.97 -0.00 0.00 0.00 0.00 0.00 32.46 30.49 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 7.34 -2.48 -3.44 -0.14 5.12 -1.26 -4.86 116.66 116.94 2gcx n ARG 55 Ca 0.60 0.23 -0.07 0.00 -1.93 0.00 0.00 57.85 56.67 2gcx n ARG 55 Cb 0.22 -4.71 -0.08 0.00 -1.16 0.00 0.00 32.46 26.74 2gcx n ARG 55 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gcx s VAL 56 N -2.12 -0.66 -0.28 1.55 0.11 -0.75 -5.13 120.40 113.11 2gcx s VAL 56 Ca 0.00 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 2gcx s VAL 56 Cb 0.00 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2gcx s VAL 56 CO 0.00 -0.04 0.46 -0.55 -3.33 0.00 0.00 175.10 171.64 2gcx s SER 57 N 2.60 6.34 0.07 3.54 0.15 -1.26 -1.20 113.70 123.95 2gcx s SER 57 Ca 0.08 0.32 -0.00 0.00 0.70 0.00 0.00 55.95 57.05 2gcx s SER 57 Cb -0.14 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2gcx s SER 57 CO -0.15 -0.29 0.23 -0.22 1.20 0.00 0.00 173.24 174.01 2gcx s LEU 58 N 2.24 4.35 -0.14 3.45 2.96 0.18 -4.89 118.68 126.83 2gcx s LEU 58 Ca 0.18 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.34 2gcx s LEU 58 Cb -0.16 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 2gcx s LEU 58 CO 0.10 0.15 0.04 0.54 -1.32 0.00 0.00 176.35 175.87 2gcx s VAL 59 N -1.54 4.63 0.04 1.68 0.11 -1.26 0.87 120.40 124.93 2gcx s VAL 59 Ca 0.36 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.25 2gcx s VAL 59 Cb -0.13 -3.03 -0.01 0.00 -1.53 0.00 0.00 36.38 31.68 2gcx s VAL 59 CO 0.28 0.53 0.08 -0.76 -3.33 0.00 0.00 175.10 171.90 2gcx s LEU 60 N -0.20 1.88 0.27 2.54 1.43 0.44 -4.96 118.68 120.08 2gcx s LEU 60 Ca 0.07 -0.60 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2gcx s LEU 60 Cb -0.12 0.56 -0.04 0.00 0.03 0.00 0.00 46.19 46.62 2gcx s LEU 60 CO 0.02 -0.53 0.07 -0.13 0.23 0.00 0.00 176.35 176.01 2gcx s ARG 61 N -2.81 2.50 0.57 1.70 0.52 -1.26 -0.29 118.95 119.88 2gcx s ARG 61 Ca -0.03 -1.31 0.38 0.00 -0.52 0.00 0.00 55.73 54.24 2gcx s ARG 61 Cb 0.00 -2.29 1.44 0.00 0.52 0.00 0.00 34.95 34.62 2gcx s ARG 61 CO -0.06 0.36 1.61 1.57 0.02 0.00 0.00 175.30 178.80 2gcx h LYS 62 N 1.73 0.00 0.14 3.54 5.09 -1.91 1.13 116.57 126.30 2gcx h LYS 62 Ca -0.45 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.00 2gcx h LYS 62 Cb 1.25 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.58 2gcx h LYS 62 CO 0.61 0.00 -1.31 1.57 -2.09 0.00 0.00 179.45 178.22 2gcx h LYS 63 N 0.00 0.29 -0.07 0.07 2.10 -1.94 -2.41 116.57 114.62 2gcx h LYS 63 Ca 0.62 -0.50 -0.10 0.00 -2.00 0.00 0.00 60.65 58.67 2gcx h LYS 63 Cb 2.78 0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 34.29 2gcx h LYS 63 CO -0.01 1.22 -0.41 -0.44 -2.00 0.00 0.00 179.45 177.82 2gcx h ASP 64 N 0.08 0.15 0.97 7.07 5.19 0.92 -2.97 116.42 127.84 2gcx h ASP 64 Ca -0.16 -0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 56.04 2gcx h ASP 64 Cb 2.00 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 41.44 2gcx h ASP 64 CO 0.20 0.55 -1.10 -0.07 -3.12 0.00 0.00 179.24 175.70 2gcx h LEU 65 N 0.13 0.00 0.08 1.55 4.07 -1.38 -3.37 115.31 116.39 2gcx h LEU 65 Ca 0.01 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.99 2gcx h LEU 65 Cb 0.78 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.47 2gcx h LEU 65 CO 0.06 0.57 -0.46 0.00 -1.08 0.00 0.00 178.44 177.52 2gcx h ALA 66 N 1.43 -0.82 0.34 1.53 0.00 -1.25 -2.98 119.26 117.50 2gcx h ALA 66 Ca -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2gcx h ALA 66 Cb 1.53 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 20.08 2gcx h ALA 66 CO 0.06 -1.04 -0.48 -0.07 0.00 0.00 0.00 179.25 177.72 2gcx h LEU 67 N -0.67 -1.35-10.13 0.00 3.38 -1.73 -3.42 115.31 101.37 2gcx h LEU 67 Ca 0.02 0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.59 2gcx h LEU 67 Cb 0.71 0.47 0.11 0.00 0.09 0.00 0.00 40.66 42.04 2gcx h LEU 67 CO -0.29 -0.60 0.43 0.27 0.09 0.00 0.00 178.44 178.35 2gcx s ILE 68 N -5.88 2.76 -0.09 1.22 -4.36 -1.13 -4.31 121.20 109.43 2gcx s ILE 68 Ca -0.17 0.43 -0.13 0.00 -0.26 0.00 0.00 60.65 60.52 2gcx s ILE 68 Cb 0.05 -3.07 -0.05 0.00 1.25 0.00 0.00 42.46 40.65 2gcx s ILE 68 CO 0.61 -0.15 0.31 -0.70 0.24 0.00 0.00 174.94 175.25 2gcx s GLU 69 N -3.61 3.94 -0.07 0.37 2.56 -0.67 -4.82 118.70 116.40 2gcx s GLU 69 Ca 0.74 0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.89 2gcx s GLU 69 Cb -0.27 -3.29 -0.03 0.00 2.00 0.00 0.00 34.13 32.54 2gcx s GLU 69 CO 0.37 0.53 -0.06 -0.51 -0.56 0.00 0.00 175.26 175.03 2gcx s LEU 70 N -0.46 3.22 -0.12 2.70 2.01 -1.26 0.11 118.68 124.87 2gcx s LEU 70 Ca 0.19 -0.00 -0.01 0.00 0.01 0.00 0.00 54.13 54.32 2gcx s LEU 70 Cb -0.14 -1.71 0.03 0.00 0.01 0.00 0.00 46.19 44.38 2gcx s LEU 70 CO 0.08 0.36 -0.04 -0.70 1.01 0.00 0.00 176.35 177.06 2gcx s GLU 71 N -0.79 1.13 0.55 1.70 2.12 -0.61 -4.91 118.70 117.90 2gcx s GLU 71 Ca 0.12 -0.21 -0.20 0.00 0.36 0.00 0.00 54.97 55.04 2gcx s GLU 71 Cb -0.11 -1.53 -0.07 0.00 0.26 0.00 0.00 34.13 32.68 2gcx s GLU 71 CO 0.02 -0.35 0.93 0.00 -0.54 0.00 0.00 175.26 175.31 2gcx n ALA 72 N 5.00 0.05 -1.18 6.30 0.00 -1.26 -0.07 120.51 129.35 2gcx n ALA 72 Ca -0.10 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 2gcx n ALA 72 Cb 0.49 -2.07 0.17 0.00 0.00 0.00 0.00 19.45 18.04 2gcx n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gcx n VAL 73 N -1.41 0.00 -3.61 0.00 0.24 -1.25 -4.76 118.33 107.54 2gcx n VAL 73 Ca 0.12 -0.42 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 2gcx n VAL 73 Cb 0.45 -1.27 -0.14 0.00 -1.47 0.00 0.00 33.84 31.41 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 -3.22 -0.33 -2.03 2.33 0.00 -1.26 -5.06 121.76 112.18 2gcx s ALA 74 Ca 0.51 0.60 0.32 0.00 0.00 0.00 0.00 51.96 53.39 2gcx s ALA 74 Cb -0.04 -1.05 1.86 0.00 0.00 0.00 0.00 23.12 23.89 2gcx s ALA 74 CO 0.39 -0.79 2.20 0.00 0.00 0.00 0.00 175.76 177.55