#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 4.53 -0.77 2.12 2.00 -1.26 -5.00 119.66 121.28 2gcx s GLN 2 Ca 0.00 1.60 -0.15 0.00 -2.00 0.00 0.00 55.36 54.81 2gcx s GLN 2 Cb 0.00 -2.96 0.19 0.00 0.80 0.00 0.00 33.01 31.03 2gcx s GLN 2 CO 0.00 0.17 0.76 -0.06 -0.50 0.00 0.00 175.29 175.66 2gcx s PHE 3 N -1.37 3.55 0.36 1.67 0.40 -1.26 -5.05 117.98 116.28 2gcx s PHE 3 Ca 0.49 -1.73 -0.08 0.00 -0.60 0.00 0.00 56.93 55.00 2gcx s PHE 3 Cb -0.26 -3.88 -0.06 0.00 0.51 0.00 0.00 43.02 39.33 2gcx s PHE 3 CO 0.33 -1.07 0.69 0.95 0.70 0.00 0.00 175.22 176.82 2gcx s THR 4 N 0.87 4.87 -0.85 0.64 -4.23 -1.26 -4.50 115.64 111.17 2gcx s THR 4 Ca 0.17 0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 60.85 2gcx s THR 4 Cb -0.14 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 69.96 2gcx s THR 4 CO -0.06 -0.44 1.77 -2.16 -0.54 0.00 0.00 174.62 173.18 2gcx s PRO 5 N -3.73 2.85 0.00 3.99 0.04 -1.26 -3.47 135.00 133.42 2gcx s PRO 5 Ca 0.49 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2gcx s PRO 5 Cb -0.10 -4.91 0.00 0.00 0.04 0.00 0.00 34.50 29.52 2gcx s PRO 5 CO 0.31 -2.89 0.00 -0.40 0.04 0.00 0.00 177.00 174.05 2gcx n ASP 6 N 12.24 0.00 -4.79 6.66 5.75 -1.26 -4.96 116.55 130.20 2gcx n ASP 6 Ca 0.31 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.77 2gcx n ASP 6 Cb 0.49 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.51 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2gcx s SER 7 N 0.00 5.68 0.79 -1.12 0.01 -1.23 -5.03 113.70 112.80 2gcx s SER 7 Ca 0.00 0.12 -0.11 0.00 1.31 0.00 0.00 55.95 57.28 2gcx s SER 7 Cb 0.00 -1.62 0.08 0.00 0.21 0.00 0.00 66.02 64.69 2gcx s SER 7 CO 0.00 0.25 1.14 0.00 0.41 0.00 0.00 173.24 175.04 2gcx s ALA 8 N -1.24 2.77 0.14 1.44 0.00 -1.26 -4.16 121.76 119.45 2gcx s ALA 8 Ca 0.24 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 2gcx s ALA 8 Cb -0.12 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.18 2gcx s ALA 8 CO 0.16 -1.60 0.46 -1.58 0.00 0.00 0.00 175.76 173.20 2gcx s TRP 9 N -3.50 -0.28 -0.06 0.00 0.52 -0.63 -4.40 118.94 110.59 2gcx s TRP 9 Ca 0.62 -0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.76 2gcx s TRP 9 Cb -0.11 0.34 -0.02 0.00 -1.15 0.00 0.00 33.47 32.53 2gcx s TRP 9 CO 0.48 -0.76 -0.15 0.15 0.02 0.00 0.00 176.95 176.69 2gcx s LYS 10 N -3.80 2.59 -0.02 4.98 1.02 -0.20 -0.60 119.74 123.71 2gcx s LYS 10 Ca 0.03 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 2gcx s LYS 10 Cb 0.01 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 2gcx s LYS 10 CO -0.11 0.56 1.01 0.42 -0.92 0.00 0.00 175.35 176.31 2gcx s ILE 11 N -0.58 4.76 -0.42 2.17 1.01 0.75 -1.10 121.20 127.80 2gcx s ILE 11 Ca 0.08 1.99 0.11 0.00 0.00 0.00 0.00 60.65 62.83 2gcx s ILE 11 Cb -0.11 -4.27 0.36 0.00 0.01 0.00 0.00 42.46 38.44 2gcx s ILE 11 CO 0.01 0.12 0.81 0.35 0.00 0.00 0.00 174.94 176.24 2gcx n THR 12 N 4.04 0.77 -1.54 2.92 -2.24 0.21 0.15 114.28 118.60 2gcx n THR 12 Ca 0.07 -4.69 -0.30 0.00 -2.27 0.00 0.00 64.05 56.86 2gcx n THR 12 Cb 0.50 -0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.10 -0.11 2.75 3.38 0.00 -1.24 -1.71 105.19 108.36 2gcx n GLY 13 Ca 0.25 0.60 -0.17 0.00 0.00 0.00 0.00 46.02 46.70 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 10.93 -0.42 0.29 1.61 2.19 -1.26 -4.80 117.98 126.52 2gcx s PHE 14 Ca 1.08 -0.29 0.09 0.00 0.33 0.00 0.00 56.93 58.14 2gcx s PHE 14 Cb -0.45 -0.46 -0.04 0.00 -1.31 0.00 0.00 43.02 40.75 2gcx s PHE 14 CO 0.30 -0.93 0.06 -1.12 1.83 0.00 0.00 175.22 175.35 2gcx s SER 15 N 2.22 4.62 0.63 6.13 0.01 -1.26 -4.58 113.70 121.48 2gcx s SER 15 Ca 0.11 -0.68 0.34 0.00 1.31 0.00 0.00 55.95 57.02 2gcx s SER 15 Cb -0.14 -0.82 1.87 0.00 0.21 0.00 0.00 66.02 67.14 2gcx s SER 15 CO -0.29 -0.11 2.13 0.08 0.41 0.00 0.00 173.24 175.46 2gcx h ARG 16 N 1.75 0.00 0.00 12.44 -0.00 -2.00 -3.22 114.38 123.34 2gcx h ARG 16 Ca -0.44 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.37 2gcx h ARG 16 Cb 1.25 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 31.09 2gcx h ARG 16 CO 0.62 0.00 -0.25 -3.47 -0.00 0.00 0.00 179.97 176.87 2gcx n ASP 17 N -3.34 -1.50 -4.59 0.08 2.03 -1.26 -5.13 116.55 102.85 2gcx n ASP 17 Ca -0.01 -2.18 -0.55 0.00 0.52 0.00 0.00 54.79 52.58 2gcx n ASP 17 Cb 0.27 0.78 -0.07 0.00 -0.72 0.00 0.00 41.12 41.39 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 -1.01 0.03 -2.47 5.18 3.06 -1.22 -4.93 119.36 117.99 2gcx n ILE 18 Ca -0.12 -0.01 -0.32 0.00 -2.50 0.00 0.00 62.75 59.81 2gcx n ILE 18 Cb 0.82 -0.65 -0.03 0.00 0.54 0.00 0.00 39.64 40.32 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 0.76 6.57 0.48 9.51 1.04 -1.26 -4.94 113.70 125.86 2gcx s SER 19 Ca 0.88 1.44 0.19 0.00 0.48 0.00 0.00 55.95 58.95 2gcx s SER 19 Cb -1.06 -2.46 1.19 0.00 0.10 0.00 0.00 66.02 63.80 2gcx s SER 19 CO 0.52 -0.56 2.04 1.55 0.98 0.00 0.00 173.24 177.77 2gcx h PRO 20 N 0.90 0.00 -0.75 4.02 0.13 -1.97 -2.37 132.00 131.97 2gcx h PRO 20 Ca -0.47 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.62 0.15 0.21 0.00 -0.23 0.00 0.00 178.00 178.75 2gcx h ALA 21 N 1.85 1.01 0.01 -0.56 0.00 -1.97 1.26 119.26 120.86 2gcx h ALA 21 Ca -0.00 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2gcx h ALA 21 Cb 0.30 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2gcx h ALA 21 CO 0.02 -0.33 -0.78 1.88 0.00 0.00 0.00 179.25 180.04 2gcx h TYR 22 N 0.30 0.05 0.69 0.00 0.05 -1.91 -3.21 116.97 112.94 2gcx h TYR 22 Ca 0.43 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 59.14 2gcx h TYR 22 Cb 0.73 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.47 2gcx h TYR 22 CO -0.24 1.30 -0.44 -0.09 -1.05 0.00 0.00 178.16 177.65 2gcx h ARG 23 N -0.92 -1.02 -0.94 4.88 9.65 -1.15 -2.35 114.38 122.53 2gcx h ARG 23 Ca -0.21 0.07 0.23 0.00 -1.10 0.00 0.00 59.98 58.98 2gcx h ARG 23 Cb 1.24 0.23 -0.07 0.00 -1.39 0.00 0.00 29.97 29.99 2gcx h ARG 23 CO -0.10 -0.68 0.63 1.96 2.80 0.00 0.00 179.97 184.59 2gcx h GLN 24 N -1.06 0.30 -0.22 0.20 1.08 0.14 -1.22 115.11 114.34 2gcx h GLN 24 Ca -0.09 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.15 2gcx h GLN 24 Cb 0.85 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.15 2gcx h GLN 24 CO 0.09 0.20 -0.24 -0.22 -0.95 0.00 0.00 178.83 177.70 2gcx h LYS 25 N 0.31 -0.25 -0.50 1.46 3.64 -1.42 -2.07 116.57 117.74 2gcx h LYS 25 Ca 0.49 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.85 2gcx h LYS 25 Cb 1.39 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.24 2gcx h LYS 25 CO -0.16 -0.17 0.16 -0.07 -2.27 0.00 0.00 179.45 176.93 2gcx h LEU 26 N -0.26 0.73 -1.76 5.20 3.38 -1.11 -2.52 115.31 118.97 2gcx h LEU 26 Ca 0.13 -0.21 0.21 0.00 0.09 0.00 0.00 57.88 58.10 2gcx h LEU 26 Cb 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2gcx h LEU 26 CO -0.37 0.74 0.72 -0.07 0.09 0.00 0.00 178.44 179.55 2gcx h LEU 27 N 0.67 0.00 -0.79 1.67 3.38 -1.04 0.76 115.31 119.97 2gcx h LEU 27 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2gcx h LEU 27 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2gcx h LEU 27 CO -0.00 0.00 -0.43 -1.28 0.09 0.00 0.00 178.44 176.81 2gcx h SER 28 N 0.00 0.41 0.44 -0.43 0.87 -1.07 -3.15 113.55 110.62 2gcx h SER 28 Ca 0.35 -0.18 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 2gcx h SER 28 Cb 1.79 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.60 2gcx h SER 28 CO -0.00 0.79 -1.69 0.18 -0.53 0.00 0.00 176.83 175.58 2gcx n LEU 29 N -4.01 0.49 0.00 2.23 4.77 0.23 -4.99 117.00 115.73 2gcx n LEU 29 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2gcx n LEU 29 Cb 0.51 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2gcx n LEU 29 CO 0.44 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2gcx n GLY 30 N 1.41 1.41 3.33 -0.72 0.00 0.81 -5.06 105.19 106.37 2gcx n GLY 30 Ca -0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.33 3.52 0.35 1.61 -1.94 -1.07 -4.98 119.30 116.46 2gcx s MET 31 Ca 0.00 -2.31 -0.03 0.00 -1.71 0.00 0.00 55.69 51.64 2gcx s MET 31 Cb 0.00 -4.44 -0.04 0.00 2.01 0.00 0.00 34.83 32.36 2gcx s MET 31 CO 0.00 -1.33 0.59 -0.51 -0.01 0.00 0.00 175.02 173.77 2gcx s LEU 32 N 0.52 3.96 -0.43 -0.03 1.02 -1.26 -4.46 118.68 118.00 2gcx s LEU 32 Ca 0.17 0.63 -0.44 0.00 0.02 0.00 0.00 54.13 54.51 2gcx s LEU 32 Cb -0.13 -3.50 -0.18 0.00 0.02 0.00 0.00 46.19 42.41 2gcx s LEU 32 CO -0.07 -0.31 1.72 -2.65 0.02 0.00 0.00 176.35 175.06 2gcx n PRO 33 N -1.56 0.40 0.00 1.29 -0.02 -1.26 -2.81 135.00 131.04 2gcx n PRO 33 Ca -0.03 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2gcx n PRO 33 Cb 0.55 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 4.48 1.90 4.00 -1.23 0.00 0.40 -4.96 105.19 109.79 2gcx n GLY 34 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 5.06 0.11 1.61 0.15 -0.71 -4.85 113.70 113.06 2gcx s SER 35 Ca 0.00 -0.36 0.10 0.00 0.70 0.00 0.00 55.95 56.39 2gcx s SER 35 Cb 0.00 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 2gcx s SER 35 CO 0.00 -1.31 -0.25 -0.55 1.20 0.00 0.00 173.24 172.33 2gcx s SER 36 N -4.55 3.01 0.27 5.45 0.15 -1.26 -0.18 113.70 116.60 2gcx s SER 36 Ca 0.60 -0.70 -0.21 0.00 0.70 0.00 0.00 55.95 56.35 2gcx s SER 36 Cb -0.08 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.07 2gcx s SER 36 CO 0.39 0.15 0.82 0.72 1.20 0.00 0.00 173.24 176.52 2gcx s PHE 37 N -1.04 -0.07 -0.06 3.44 -0.71 0.23 -4.72 117.98 115.04 2gcx s PHE 37 Ca 0.11 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.62 2gcx s PHE 37 Cb -0.10 0.73 0.01 0.00 -1.21 0.00 0.00 43.02 42.45 2gcx s PHE 37 CO 0.05 -1.21 -0.13 -1.01 -1.34 0.00 0.00 175.22 171.58 2gcx s HIS 38 N -3.20 1.47 0.20 3.49 3.76 -0.39 -1.61 115.29 119.01 2gcx s HIS 38 Ca 0.13 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.21 2gcx s HIS 38 Cb -0.04 -1.07 -0.08 0.00 1.11 0.00 0.00 32.58 32.49 2gcx s HIS 38 CO 0.07 -0.27 0.95 0.14 -0.85 0.00 0.00 174.74 174.78 2gcx s VAL 39 N 0.62 4.20 -0.26 -0.90 -7.23 -1.26 -0.06 120.40 115.52 2gcx s VAL 39 Ca -0.14 2.08 0.01 0.00 -1.81 0.00 0.00 61.98 62.12 2gcx s VAL 39 Cb -0.16 -4.33 -0.17 0.00 0.56 0.00 0.00 36.38 32.29 2gcx s VAL 39 CO 0.04 0.45 -0.21 0.52 -0.31 0.00 0.00 175.10 175.58 2gcx n VAL 40 N 1.88 1.50 -3.64 1.32 0.31 -0.55 -4.16 118.33 114.99 2gcx n VAL 40 Ca -0.01 -0.56 -0.04 0.00 -0.01 0.00 0.00 64.34 63.72 2gcx n VAL 40 Cb 0.48 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.89 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 -2.52 0.54 0.07 5.55 1.70 -1.26 -4.66 118.95 118.36 2gcx s ARG 41 Ca -0.35 0.95 0.00 0.00 -0.47 0.00 0.00 55.73 55.87 2gcx s ARG 41 Cb 0.09 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2gcx s ARG 41 CO 0.60 -0.12 -0.05 0.08 -1.08 0.00 0.00 175.30 174.74 2gcx s VAL 42 N 1.57 0.42 0.07 4.99 1.01 -1.26 -4.02 120.40 123.17 2gcx s VAL 42 Ca -0.09 -1.79 0.09 0.00 0.00 0.00 0.00 61.98 60.18 2gcx s VAL 42 Cb -0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2gcx s VAL 42 CO -0.17 -0.90 -0.24 0.00 0.00 0.00 0.00 175.10 173.79 2gcx s ALA 43 N -3.59 2.04 -0.54 5.51 0.00 -1.26 -4.83 121.76 119.08 2gcx s ALA 43 Ca 0.07 -1.23 0.25 0.00 0.00 0.00 0.00 51.96 51.05 2gcx s ALA 43 Cb 0.05 -0.38 0.94 0.00 0.00 0.00 0.00 23.12 23.73 2gcx s ALA 43 CO -0.07 0.46 1.74 -0.35 0.00 0.00 0.00 175.76 177.54 2gcx n PRO 44 N 1.57 0.22 -0.12 0.00 -0.04 -1.26 -3.64 135.00 131.73 2gcx n PRO 44 Ca -0.18 0.36 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 2gcx n PRO 44 Cb 0.53 -1.86 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 2gcx n PRO 44 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2gcx n LEU 45 N -2.27 1.89 0.00 1.53 7.94 -1.26 -5.05 117.00 119.78 2gcx n LEU 45 Ca 0.03 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2gcx n LEU 45 Cb 0.29 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.33 2gcx n LEU 45 CO 0.23 0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 2gcx n GLY 46 N 1.37 0.65 3.28 -3.96 0.00 -1.24 -5.16 105.19 100.13 2gcx n GLY 46 Ca -0.40 0.32 -0.15 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 0.83 -0.32 1.61 1.11 -1.26 -4.96 116.67 113.68 2gcx s ASP 47 Ca 0.00 -1.39 -0.25 0.00 0.18 0.00 0.00 52.55 51.09 2gcx s ASP 47 Cb 0.00 0.25 0.01 0.00 1.07 0.00 0.00 42.92 44.25 2gcx s ASP 47 CO 0.00 -0.78 0.86 -2.16 1.18 0.00 0.00 175.17 174.28 2gcx s PRO 48 N -4.07 3.96 0.12 8.23 0.05 -1.26 -3.85 135.00 138.19 2gcx s PRO 48 Ca 0.38 0.68 0.04 0.00 0.05 0.00 0.00 61.00 62.15 2gcx s PRO 48 Cb 0.07 -3.74 -0.04 0.00 0.05 0.00 0.00 34.50 30.84 2gcx s PRO 48 CO 0.13 -0.76 0.08 0.54 0.05 0.00 0.00 177.00 177.04 2gcx s VAL 49 N 3.16 4.36 -0.14 -0.36 0.11 -0.49 -4.89 120.40 122.16 2gcx s VAL 49 Ca 0.36 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 2gcx s VAL 49 Cb -0.13 -3.16 -0.02 0.00 -1.53 0.00 0.00 36.38 31.53 2gcx s VAL 49 CO 0.14 0.01 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.86 2gcx s HIS 50 N -1.55 2.96 -0.10 1.54 3.76 -1.26 -0.05 115.29 120.59 2gcx s HIS 50 Ca 0.29 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 2gcx s HIS 50 Cb -0.11 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 2gcx s HIS 50 CO 0.22 -0.01 0.05 0.96 -0.85 0.00 0.00 174.74 175.10 2gcx s ILE 51 N 0.16 4.70 -0.30 0.60 -4.36 0.33 -1.49 121.20 120.85 2gcx s ILE 51 Ca -0.03 -0.10 -0.07 0.00 -0.26 0.00 0.00 60.65 60.19 2gcx s ILE 51 Cb -0.14 -3.01 0.01 0.00 1.25 0.00 0.00 42.46 40.57 2gcx s ILE 51 CO 0.03 0.61 0.09 -0.70 0.24 0.00 0.00 174.94 175.21 2gcx s GLU 52 N -0.90 3.07 0.21 0.37 2.12 0.91 -0.48 118.70 124.00 2gcx s GLU 52 Ca 0.13 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.60 2gcx s GLU 52 Cb -0.12 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.89 2gcx s GLU 52 CO 0.03 -0.46 0.11 0.25 -0.54 0.00 0.00 175.26 174.64 2gcx n THR 53 N 4.87 0.00 -1.53 -1.70 -2.24 0.30 -1.27 114.28 112.71 2gcx n THR 53 Ca -0.14 -0.89 -0.37 0.00 -2.27 0.00 0.00 64.05 60.38 2gcx n THR 53 Cb 0.48 -0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.83 0.65 -2.38 -0.78 3.00 -1.26 -1.68 116.66 113.37 2gcx n ARG 54 Ca -0.03 -0.03 -0.13 0.00 -0.00 0.00 0.00 57.85 57.66 2gcx n ARG 54 Cb 0.25 -2.74 -0.01 0.00 0.00 0.00 0.00 32.46 29.96 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 8.78 -2.15 -3.70 -0.14 1.74 -1.26 -4.93 116.66 115.00 2gcx n ARG 55 Ca 0.48 0.63 -0.11 0.00 -0.77 0.00 0.00 57.85 58.07 2gcx n ARG 55 Cb 0.36 -5.21 -0.12 0.00 -1.02 0.00 0.00 32.46 26.47 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 -2.60 -0.11 -0.36 1.55 1.01 -0.68 -5.13 120.40 114.09 2gcx s VAL 56 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2gcx s VAL 56 Cb 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 36.38 35.92 2gcx s VAL 56 CO 0.00 0.05 0.14 -0.55 0.00 0.00 0.00 175.10 174.74 2gcx s SER 57 N 1.52 5.33 0.19 3.32 0.15 -1.26 0.11 113.70 123.06 2gcx s SER 57 Ca -0.08 -1.33 0.05 0.00 0.70 0.00 0.00 55.95 55.29 2gcx s SER 57 Cb -0.10 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 2gcx s SER 57 CO -0.11 -0.39 0.18 -0.22 1.20 0.00 0.00 173.24 173.90 2gcx s LEU 58 N 1.36 3.87 -0.11 3.45 2.96 0.36 -4.94 118.68 125.64 2gcx s LEU 58 Ca 0.00 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2gcx s LEU 58 Cb -0.21 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 2gcx s LEU 58 CO 0.01 0.03 -0.13 0.54 -1.32 0.00 0.00 176.35 175.48 2gcx s VAL 59 N -1.88 3.07 -0.02 1.68 0.11 -1.26 0.12 120.40 122.22 2gcx s VAL 59 Ca 0.32 -0.67 0.07 0.00 -2.93 0.00 0.00 61.98 58.76 2gcx s VAL 59 Cb -0.09 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.47 2gcx s VAL 59 CO 0.25 0.54 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.57 2gcx s LEU 60 N 0.04 2.27 0.07 2.54 1.43 0.92 -4.94 118.68 121.01 2gcx s LEU 60 Ca -0.04 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2gcx s LEU 60 Cb -0.14 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2gcx s LEU 60 CO 0.04 0.32 0.03 -0.13 0.23 0.00 0.00 176.35 176.85 2gcx s ARG 61 N -0.69 2.71 0.57 1.70 0.52 -1.26 -1.40 118.95 121.10 2gcx s ARG 61 Ca 0.11 -0.75 0.36 0.00 -0.52 0.00 0.00 55.73 54.93 2gcx s ARG 61 Cb -0.10 -2.63 1.42 0.00 0.52 0.00 0.00 34.95 34.16 2gcx s ARG 61 CO -0.00 0.56 1.65 1.57 0.02 0.00 0.00 175.30 179.10 2gcx h LYS 62 N 3.52 0.00 0.00 3.54 -0.00 -1.93 1.29 116.57 122.98 2gcx h LYS 62 Ca -0.47 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 59.95 2gcx h LYS 62 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.36 2gcx h LYS 62 CO 0.62 0.00 -1.15 1.57 -0.00 0.00 0.00 179.45 180.49 2gcx h LYS 63 N 0.00 0.00 -0.00 0.07 2.10 -1.93 -3.01 116.57 113.79 2gcx h LYS 63 Ca 0.55 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.07 2gcx h LYS 63 Cb 2.53 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.84 2gcx h LYS 63 CO -0.01 0.89 -0.62 0.22 -2.00 0.00 0.00 179.45 177.93 2gcx h ASP 64 N 0.00 0.02 1.02 7.07 3.58 0.13 -3.08 116.42 125.15 2gcx h ASP 64 Ca -0.07 -0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.17 2gcx h ASP 64 Cb 1.82 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.83 2gcx h ASP 64 CO 0.12 0.64 -0.96 -0.07 -2.88 0.00 0.00 179.24 176.09 2gcx h LEU 65 N 0.01 0.00 -2.01 2.28 4.07 -1.40 -3.15 115.31 115.11 2gcx h LEU 65 Ca -0.01 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.02 2gcx h LEU 65 Cb 1.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 2gcx h LEU 65 CO 0.08 0.96 0.38 0.00 -1.08 0.00 0.00 178.44 178.78 2gcx h ALA 66 N 1.04 1.81 0.00 1.53 0.00 -1.43 -3.10 119.26 119.12 2gcx h ALA 66 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gcx h ALA 66 Cb 1.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2gcx h ALA 66 CO 0.12 -0.51 -0.55 1.28 0.00 0.00 0.00 179.25 179.60 2gcx n LEU 67 N -3.43 1.19 -4.74 0.00 4.77 -1.22 -4.99 117.00 108.58 2gcx n LEU 67 Ca 0.03 0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 55.95 2gcx n LEU 67 Cb 0.51 -0.67 0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2gcx n LEU 67 CO 0.22 -0.39 0.80 0.27 -1.33 0.00 0.00 177.39 176.96 2gcx s ILE 68 N -2.09 2.64 0.13 -0.08 -4.36 -1.17 -4.23 121.20 112.04 2gcx s ILE 68 Ca -0.16 0.33 0.04 0.00 -0.26 0.00 0.00 60.65 60.60 2gcx s ILE 68 Cb 0.02 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2gcx s ILE 68 CO 0.24 -0.15 0.16 -0.70 0.24 0.00 0.00 174.94 174.73 2gcx s GLU 69 N -3.76 3.05 0.08 0.37 2.12 -0.69 -4.77 118.70 115.10 2gcx s GLU 69 Ca 0.74 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 55.39 2gcx s GLU 69 Cb -0.27 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 2gcx s GLU 69 CO 0.40 0.52 -0.08 -0.51 -0.54 0.00 0.00 175.26 175.05 2gcx s LEU 70 N -2.90 3.10 -0.06 2.70 2.01 -1.26 0.67 118.68 122.94 2gcx s LEU 70 Ca 0.32 -0.31 0.01 0.00 0.01 0.00 0.00 54.13 54.16 2gcx s LEU 70 Cb -0.11 -1.86 0.02 0.00 0.01 0.00 0.00 46.19 44.24 2gcx s LEU 70 CO 0.24 0.20 -0.08 -0.70 1.01 0.00 0.00 176.35 177.02 2gcx s GLU 71 N -2.03 1.31 0.80 1.70 2.12 -0.26 -4.88 118.70 117.46 2gcx s GLU 71 Ca 0.21 -0.26 -0.13 0.00 0.36 0.00 0.00 54.97 55.14 2gcx s GLU 71 Cb -0.11 -1.19 0.08 0.00 0.26 0.00 0.00 34.13 33.17 2gcx s GLU 71 CO 0.13 -0.05 1.19 0.00 -0.54 0.00 0.00 175.26 175.99 2gcx s ALA 72 N 0.89 1.89 1.40 6.30 0.00 -1.26 -1.04 121.76 129.95 2gcx s ALA 72 Ca -0.11 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 2gcx s ALA 72 Cb -0.15 -3.47 0.36 0.00 0.00 0.00 0.00 23.12 19.87 2gcx s ALA 72 CO 0.01 -2.20 0.94 0.14 0.00 0.00 0.00 175.76 174.65 2gcx s VAL 73 N -2.22 1.27 -0.14 0.00 -7.23 -1.26 -4.75 120.40 106.06 2gcx s VAL 73 Ca 0.72 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.90 2gcx s VAL 73 Cb -0.27 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.58 2gcx s VAL 73 CO 0.50 0.00 -0.20 0.00 -0.31 0.00 0.00 175.10 175.10 2gcx s ALA 74 N -2.32 2.33 -2.88 1.32 0.00 -1.26 -5.11 121.76 113.85 2gcx s ALA 74 Ca 0.69 -1.07 0.25 0.00 0.00 0.00 0.00 51.96 51.82 2gcx s ALA 74 Cb -0.14 -1.07 0.39 0.00 0.00 0.00 0.00 23.12 22.30 2gcx s ALA 74 CO 0.58 -0.02 1.37 1.04 0.00 0.00 0.00 175.76 178.73