#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcx n GLN 2 N 0.00 0.14 -3.61 0.03 10.64 -1.26 -5.13 117.38 118.18 2gcx n GLN 2 Ca 0.00 -0.47 -0.39 0.00 -1.83 0.00 0.00 57.00 54.31 2gcx n GLN 2 Cb 0.00 0.74 -0.11 0.00 -0.86 0.00 0.00 30.24 30.00 2gcx n GLN 2 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2gcx s PHE 3 N -2.79 3.19 0.17 2.61 0.40 -1.26 -5.09 117.98 115.21 2gcx s PHE 3 Ca 0.15 -0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 2gcx s PHE 3 Cb -0.01 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 2gcx s PHE 3 CO 0.00 -0.31 -0.05 0.95 0.70 0.00 0.00 175.22 176.52 2gcx s THR 4 N 1.70 3.50 -0.94 0.64 -4.23 -1.26 -4.58 115.64 110.46 2gcx s THR 4 Ca 0.06 -1.47 -0.24 0.00 -1.18 0.00 0.00 61.69 58.86 2gcx s THR 4 Cb -0.16 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 2gcx s THR 4 CO 0.09 -0.08 1.85 -2.16 -0.54 0.00 0.00 174.62 173.78 2gcx s PRO 5 N -2.80 2.76 0.00 3.99 0.04 -1.26 -3.31 135.00 134.41 2gcx s PRO 5 Ca 0.26 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.79 2gcx s PRO 5 Cb -0.09 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2gcx s PRO 5 CO 0.17 -3.18 0.00 -3.47 0.04 0.00 0.00 177.00 170.55 2gcx n ASP 6 N 13.00 0.00 -4.86 6.66 -0.08 -1.26 -5.00 116.55 125.01 2gcx n ASP 6 Ca 0.39 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.33 2gcx n ASP 6 Cb 0.48 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.88 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2gcx s SER 7 N 0.00 6.15 0.79 1.67 0.01 -1.21 -5.06 113.70 116.05 2gcx s SER 7 Ca 0.00 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.46 2gcx s SER 7 Cb 0.00 -1.90 0.07 0.00 0.21 0.00 0.00 66.02 64.40 2gcx s SER 7 CO 0.00 0.30 1.13 0.00 0.41 0.00 0.00 173.24 175.08 2gcx s ALA 8 N -1.21 2.50 0.31 1.44 0.00 -1.26 -4.36 121.76 119.18 2gcx s ALA 8 Ca 0.23 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 2gcx s ALA 8 Cb -0.12 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 19.98 2gcx s ALA 8 CO 0.14 -1.61 0.53 -1.58 0.00 0.00 0.00 175.76 173.23 2gcx s TRP 9 N -3.37 0.59 -0.04 0.00 0.52 -0.91 -4.54 118.94 111.19 2gcx s TRP 9 Ca 0.61 -0.96 0.04 0.00 0.02 0.00 0.00 56.10 55.81 2gcx s TRP 9 Cb -0.12 0.19 -0.00 0.00 -1.15 0.00 0.00 33.47 32.39 2gcx s TRP 9 CO 0.52 -1.15 -0.16 0.15 0.02 0.00 0.00 176.95 176.33 2gcx s LYS 10 N -3.35 1.62 0.14 4.98 1.02 -0.31 -1.19 119.74 122.65 2gcx s LYS 10 Ca 0.24 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2gcx s LYS 10 Cb -0.01 -1.42 -0.07 0.00 -0.52 0.00 0.00 37.83 35.80 2gcx s LYS 10 CO 0.14 0.22 1.21 0.42 -0.92 0.00 0.00 175.35 176.42 2gcx s ILE 11 N 0.07 3.69 -0.33 2.17 1.01 0.22 -1.81 121.20 126.22 2gcx s ILE 11 Ca -0.04 1.34 0.17 0.00 0.00 0.00 0.00 60.65 62.12 2gcx s ILE 11 Cb -0.11 -3.85 0.46 0.00 0.01 0.00 0.00 42.46 38.97 2gcx s ILE 11 CO 0.02 0.17 0.99 0.41 0.00 0.00 0.00 174.94 176.53 2gcx n THR 12 N 3.04 1.19 -1.55 2.92 -1.04 0.30 0.12 114.28 119.26 2gcx n THR 12 Ca 0.06 -3.27 -0.14 0.00 -2.04 0.00 0.00 64.05 58.66 2gcx n THR 12 Cb 0.45 0.48 -0.10 0.00 -1.82 0.00 0.00 70.33 69.35 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 -0.22 2.74 3.41 0.00 -1.23 -1.56 105.19 108.17 2gcx n GLY 13 Ca 0.13 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 12.66 -0.32 0.25 1.61 2.19 -1.26 -4.57 117.98 128.53 2gcx s PHE 14 Ca 0.98 -0.53 0.06 0.00 0.33 0.00 0.00 56.93 57.76 2gcx s PHE 14 Cb -0.24 -0.47 -0.03 0.00 -1.31 0.00 0.00 43.02 40.98 2gcx s PHE 14 CO 0.16 -0.94 0.31 -1.12 1.83 0.00 0.00 175.22 175.46 2gcx s SER 15 N 1.90 6.01 0.49 6.13 0.01 -1.26 -4.68 113.70 122.30 2gcx s SER 15 Ca 0.13 -0.07 0.33 0.00 1.31 0.00 0.00 55.95 57.65 2gcx s SER 15 Cb -0.15 -1.65 1.67 0.00 0.21 0.00 0.00 66.02 66.10 2gcx s SER 15 CO -0.19 -0.09 2.00 0.08 0.41 0.00 0.00 173.24 175.46 2gcx h ARG 16 N 1.27 0.00 -0.05 12.44 -0.00 -1.99 -3.21 114.38 122.84 2gcx h ARG 16 Ca -0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.31 2gcx h ARG 16 Cb 1.23 0.00 -0.21 0.00 -0.00 0.00 0.00 29.97 30.99 2gcx h ARG 16 CO 0.60 0.00 -0.52 -0.40 -0.00 0.00 0.00 179.97 179.66 2gcx n ASP 17 N -2.73 -0.47 -4.60 0.08 5.68 -1.26 -5.12 116.55 108.14 2gcx n ASP 17 Ca -0.01 -2.06 -0.53 0.00 -0.50 0.00 0.00 54.79 51.68 2gcx n ASP 17 Cb 0.13 0.21 -0.06 0.00 -1.14 0.00 0.00 41.12 40.25 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 -0.42 0.03 -2.88 2.12 3.06 -1.22 -4.95 119.36 115.11 2gcx n ILE 18 Ca -0.15 -0.01 -0.29 0.00 -2.50 0.00 0.00 62.75 59.81 2gcx n ILE 18 Cb 0.84 -0.78 -0.02 0.00 0.54 0.00 0.00 39.64 40.22 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 6.42 0.43 9.51 1.04 -1.26 -4.97 113.70 125.64 2gcx s SER 19 Ca 0.87 0.98 0.16 0.00 0.48 0.00 0.00 55.95 58.44 2gcx s SER 19 Cb -1.00 -2.26 0.98 0.00 0.10 0.00 0.00 66.02 63.84 2gcx s SER 19 CO 0.50 -0.42 1.94 1.55 0.98 0.00 0.00 173.24 177.79 2gcx h PRO 20 N 0.98 0.00 -0.71 4.02 0.13 -1.96 -2.15 132.00 132.31 2gcx h PRO 20 Ca -0.47 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 2gcx h PRO 20 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2gcx h PRO 20 CO 0.63 0.24 -0.04 0.00 -0.23 0.00 0.00 178.00 178.61 2gcx h ALA 21 N 1.76 0.66 0.07 -0.56 0.00 -1.98 1.26 119.26 120.46 2gcx h ALA 21 Ca -0.00 0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 2gcx h ALA 21 Cb 0.46 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2gcx h ALA 21 CO 0.03 -0.42 -1.23 -0.92 0.00 0.00 0.00 179.25 176.72 2gcx h TYR 22 N 0.08 0.26 0.31 0.00 5.03 -1.95 -3.35 116.97 117.35 2gcx h TYR 22 Ca 0.37 -0.19 0.00 0.00 2.58 0.00 0.00 58.73 61.49 2gcx h TYR 22 Cb 0.63 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 2gcx h TYR 22 CO -0.44 1.48 -0.33 -0.09 -1.32 0.00 0.00 178.16 177.46 2gcx h ARG 23 N -0.57 -0.66 -1.25 1.82 9.65 -1.03 -1.85 114.38 120.50 2gcx h ARG 23 Ca -0.29 0.04 0.37 0.00 -1.10 0.00 0.00 59.98 59.01 2gcx h ARG 23 Cb 1.55 0.15 -0.09 0.00 -1.39 0.00 0.00 29.97 30.19 2gcx h ARG 23 CO -0.02 -0.44 0.84 0.37 2.80 0.00 0.00 179.97 183.52 2gcx h GLN 24 N -0.68 0.16 0.00 0.20 4.15 0.14 1.20 115.11 120.28 2gcx h GLN 24 Ca -0.01 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 2gcx h GLN 24 Cb 0.63 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2gcx h GLN 24 CO -0.08 0.11 -0.27 0.87 -1.93 0.00 0.00 178.83 177.53 2gcx h LYS 25 N 0.16 0.00 0.06 1.69 1.57 -1.47 -2.95 116.57 115.64 2gcx h LYS 25 Ca 0.69 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.47 2gcx h LYS 25 Cb 2.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.55 2gcx h LYS 25 CO -0.24 0.27 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.80 2gcx h LEU 26 N 0.00 -0.07 -1.98 2.94 3.38 0.15 -3.17 115.31 116.58 2gcx h LEU 26 Ca -0.00 -0.43 0.34 0.00 0.09 0.00 0.00 57.88 57.88 2gcx h LEU 26 Cb 0.54 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2gcx h LEU 26 CO 0.03 0.62 0.84 -0.07 0.09 0.00 0.00 178.44 179.95 2gcx h LEU 27 N -0.97 0.01 -0.32 1.67 3.38 -1.45 0.84 115.31 118.48 2gcx h LEU 27 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2gcx h LEU 27 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2gcx h LEU 27 CO 0.01 0.00 -0.85 0.77 0.09 0.00 0.00 178.44 178.46 2gcx h SER 28 N 0.01 0.19 0.84 -0.43 4.64 -1.59 -3.24 113.55 113.97 2gcx h SER 28 Ca 0.56 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.64 2gcx h SER 28 Cb 2.23 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 64.25 2gcx h SER 28 CO -0.02 0.95 -1.22 0.18 -0.87 0.00 0.00 176.83 175.85 2gcx n LEU 29 N -3.64 0.86 0.00 5.97 4.77 0.23 -4.98 117.00 120.21 2gcx n LEU 29 Ca -0.03 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2gcx n LEU 29 Cb 0.79 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2gcx n LEU 29 CO 0.47 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2gcx n GLY 30 N 1.30 1.41 3.16 -0.72 0.00 0.20 -5.05 105.19 105.49 2gcx n GLY 30 Ca -0.05 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.02 2.79 0.25 1.61 -1.94 -1.05 -5.01 119.30 113.93 2gcx s MET 31 Ca 0.00 -2.43 0.07 0.00 -1.71 0.00 0.00 55.69 51.62 2gcx s MET 31 Cb 0.00 -3.91 -0.03 0.00 2.01 0.00 0.00 34.83 32.89 2gcx s MET 31 CO 0.00 -1.20 0.23 -0.51 -0.01 0.00 0.00 175.02 173.53 2gcx s LEU 32 N 0.15 3.91 -0.36 -0.03 1.02 -1.26 -4.57 118.68 117.54 2gcx s LEU 32 Ca 0.16 -0.20 -0.40 0.00 0.02 0.00 0.00 54.13 53.71 2gcx s LEU 32 Cb -0.18 -2.45 -0.15 0.00 0.02 0.00 0.00 46.19 43.43 2gcx s LEU 32 CO -0.04 -0.06 1.94 -2.65 0.02 0.00 0.00 176.35 175.55 2gcx n PRO 33 N -1.24 0.84 0.00 1.29 -0.02 -1.26 -1.98 135.00 132.63 2gcx n PRO 33 Ca -0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2gcx n PRO 33 Cb 0.58 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 5.48 1.48 3.98 -1.23 0.00 0.32 -4.94 105.19 110.27 2gcx n GLY 34 Ca 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 5.01 0.17 1.61 0.15 -0.67 -4.85 113.70 113.12 2gcx s SER 35 Ca 0.00 -0.13 0.10 0.00 0.70 0.00 0.00 55.95 56.62 2gcx s SER 35 Cb 0.00 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 2gcx s SER 35 CO 0.00 -1.36 -0.15 -0.44 1.20 0.00 0.00 173.24 172.49 2gcx s SER 36 N -4.52 3.94 0.09 5.45 0.01 -1.26 0.71 113.70 118.12 2gcx s SER 36 Ca 0.60 -0.66 -0.26 0.00 1.31 0.00 0.00 55.95 56.94 2gcx s SER 36 Cb -0.09 -0.55 0.08 0.00 0.21 0.00 0.00 66.02 65.67 2gcx s SER 36 CO 0.40 0.12 0.82 0.72 0.41 0.00 0.00 173.24 175.72 2gcx s PHE 37 N -1.59 -0.33 -0.22 2.43 -0.71 -0.33 -4.76 117.98 112.46 2gcx s PHE 37 Ca 0.22 0.11 -0.01 0.00 -1.04 0.00 0.00 56.93 56.21 2gcx s PHE 37 Cb -0.09 0.58 0.02 0.00 -1.21 0.00 0.00 43.02 42.32 2gcx s PHE 37 CO 0.13 -0.74 -0.09 -1.58 -1.34 0.00 0.00 175.22 171.60 2gcx s HIS 38 N -3.37 2.97 0.28 3.49 2.46 -0.79 -2.14 115.29 118.18 2gcx s HIS 38 Ca 0.06 -1.44 -0.29 0.00 0.47 0.00 0.00 55.06 53.85 2gcx s HIS 38 Cb -0.02 -2.03 -0.10 0.00 -0.13 0.00 0.00 32.58 30.30 2gcx s HIS 38 CO -0.06 -0.71 1.36 0.54 -2.47 0.00 0.00 174.74 173.40 2gcx s VAL 39 N 1.35 2.76 -0.26 0.89 0.11 -1.26 -1.90 120.40 122.09 2gcx s VAL 39 Ca 0.03 0.69 -0.12 0.00 -2.93 0.00 0.00 61.98 59.65 2gcx s VAL 39 Cb -0.15 -3.44 -0.15 0.00 -1.53 0.00 0.00 36.38 31.11 2gcx s VAL 39 CO -0.06 0.14 -0.21 0.52 -3.33 0.00 0.00 175.10 172.15 2gcx n VAL 40 N 1.65 1.54 -3.63 2.04 0.31 -0.67 -4.48 118.33 115.09 2gcx n VAL 40 Ca 0.03 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 2gcx n VAL 40 Cb 0.41 -1.82 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 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 -2.49 0.73 0.08 5.55 1.70 -1.26 -4.67 118.95 118.58 2gcx s ARG 41 Ca -0.36 0.93 -0.07 0.00 -0.47 0.00 0.00 55.73 55.76 2gcx s ARG 41 Cb 0.12 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 2gcx s ARG 41 CO 0.54 -0.10 0.15 0.08 -1.08 0.00 0.00 175.30 174.89 2gcx s VAL 42 N 0.58 0.15 0.20 4.99 1.01 -1.26 -4.03 120.40 122.05 2gcx s VAL 42 Ca -0.01 -1.24 0.11 0.00 0.00 0.00 0.00 61.98 60.83 2gcx s VAL 42 Cb -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2gcx s VAL 42 CO -0.05 -0.69 -0.21 0.00 0.00 0.00 0.00 175.10 174.15 2gcx s ALA 43 N -3.70 2.42 0.06 5.51 0.00 -1.26 -4.81 121.76 119.98 2gcx s ALA 43 Ca 0.04 -1.65 0.14 0.00 0.00 0.00 0.00 51.96 50.49 2gcx s ALA 43 Cb 0.05 -0.27 0.25 0.00 0.00 0.00 0.00 23.12 23.15 2gcx s ALA 43 CO -0.10 0.34 1.53 -1.00 0.00 0.00 0.00 175.76 176.53 2gcx h PRO 44 N 3.00 0.00 0.00 0.00 0.13 -2.00 -3.36 132.00 129.77 2gcx h PRO 44 Ca -0.44 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 2gcx h PRO 44 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2gcx h PRO 44 CO 0.52 0.57 -1.18 -0.11 -0.23 0.00 0.00 178.00 177.57 2gcx n LEU 45 N -3.42 1.86 0.00 1.56 7.94 -1.26 -5.05 117.00 118.62 2gcx n LEU 45 Ca 0.00 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2gcx n LEU 45 Cb 0.69 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.71 2gcx n LEU 45 CO 0.41 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.41 2gcx n GLY 46 N 1.46 1.61 3.48 -3.96 0.00 -1.26 -5.15 105.19 101.37 2gcx n GLY 46 Ca -0.28 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 0.28 -0.30 1.61 1.11 -1.26 -4.95 116.67 113.16 2gcx s ASP 47 Ca 0.00 -1.20 -0.25 0.00 0.18 0.00 0.00 52.55 51.27 2gcx s ASP 47 Cb 0.00 0.57 0.01 0.00 1.07 0.00 0.00 42.92 44.56 2gcx s ASP 47 CO 0.00 -1.13 0.88 -2.16 1.18 0.00 0.00 175.17 173.94 2gcx s PRO 48 N -3.73 4.02 0.15 8.23 0.05 -1.26 -3.97 135.00 138.48 2gcx s PRO 48 Ca 0.28 0.78 0.05 0.00 0.05 0.00 0.00 61.00 62.17 2gcx s PRO 48 Cb 0.01 -3.72 -0.04 0.00 0.05 0.00 0.00 34.50 30.80 2gcx s PRO 48 CO 0.13 -0.73 0.10 0.54 0.05 0.00 0.00 177.00 177.09 2gcx s VAL 49 N 3.16 4.32 0.01 -0.36 0.11 0.00 -4.83 120.40 122.81 2gcx s VAL 49 Ca 0.37 -1.11 0.08 0.00 -2.93 0.00 0.00 61.98 58.39 2gcx s VAL 49 Cb -0.14 -3.18 -0.02 0.00 -1.53 0.00 0.00 36.38 31.51 2gcx s VAL 49 CO 0.13 -0.07 -0.26 -1.00 -3.33 0.00 0.00 175.10 170.57 2gcx s HIS 50 N -1.69 2.35 -0.07 1.54 3.76 -1.26 0.26 115.29 120.18 2gcx s HIS 50 Ca 0.30 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 2gcx s HIS 50 Cb -0.10 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.11 2gcx s HIS 50 CO 0.22 0.05 -0.15 0.96 -0.85 0.00 0.00 174.74 174.97 2gcx s ILE 51 N -0.72 2.96 -0.28 0.60 -4.36 0.72 -1.66 121.20 118.47 2gcx s ILE 51 Ca 0.11 -0.74 -0.06 0.00 -0.26 0.00 0.00 60.65 59.70 2gcx s ILE 51 Cb -0.10 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.44 2gcx s ILE 51 CO 0.01 0.57 0.05 -0.70 0.24 0.00 0.00 174.94 175.11 2gcx s GLU 52 N -0.35 3.16 0.00 0.37 2.12 -0.80 -1.27 118.70 121.94 2gcx s GLU 52 Ca 0.03 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.56 2gcx s GLU 52 Cb -0.12 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2gcx s GLU 52 CO 0.02 -0.38 0.00 0.25 -0.54 0.00 0.00 175.26 174.61 2gcx n THR 53 N 4.85 0.00 -1.50 -1.70 -2.24 -0.62 -1.89 114.28 111.17 2gcx n THR 53 Ca -0.15 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 2gcx n THR 53 Cb 0.49 0.00 -0.19 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.00 0.05 -4.19 -0.78 5.12 -1.26 -1.74 116.66 113.86 2gcx n ARG 54 Ca 0.00 -0.04 -0.35 0.00 -1.93 0.00 0.00 57.85 55.53 2gcx n ARG 54 Cb 0.00 -1.35 -0.05 0.00 -1.16 0.00 0.00 32.46 29.90 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 6.73 -1.01 -3.27 5.56 1.74 -1.26 -4.92 116.66 120.22 2gcx n ARG 55 Ca 0.66 0.13 0.03 0.00 -0.77 0.00 0.00 57.85 57.90 2gcx n ARG 55 Cb 0.13 -3.40 -0.03 0.00 -1.02 0.00 0.00 32.46 28.14 2gcx n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2gcx s VAL 56 N -4.07 -0.41 -0.40 1.55 0.11 -0.71 -5.13 120.40 111.35 2gcx s VAL 56 Ca 0.16 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 2gcx s VAL 56 Cb -0.08 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2gcx s VAL 56 CO 0.98 0.00 0.24 -0.55 -3.33 0.00 0.00 175.10 172.44 2gcx s SER 57 N 2.59 5.75 0.21 3.54 0.15 -1.26 -1.59 113.70 123.10 2gcx s SER 57 Ca -0.01 -1.18 0.04 0.00 0.70 0.00 0.00 55.95 55.51 2gcx s SER 57 Cb -0.07 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 2gcx s SER 57 CO -0.15 -0.46 0.33 -0.22 1.20 0.00 0.00 173.24 173.94 2gcx s LEU 58 N 1.52 4.31 0.14 3.45 2.96 -0.39 -4.90 118.68 125.78 2gcx s LEU 58 Ca 0.02 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 2gcx s LEU 58 Cb -0.21 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 2gcx s LEU 58 CO 0.05 -0.03 0.09 0.54 -1.32 0.00 0.00 176.35 175.68 2gcx s VAL 59 N -1.91 4.32 -0.11 1.68 0.11 -1.26 -0.20 120.40 123.03 2gcx s VAL 59 Ca 0.34 -1.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 2gcx s VAL 59 Cb -0.10 -3.16 0.06 0.00 -1.53 0.00 0.00 36.38 31.65 2gcx s VAL 59 CO 0.29 -0.04 0.20 -0.76 -3.33 0.00 0.00 175.10 171.46 2gcx s LEU 60 N -2.84 -0.16 0.00 2.54 1.43 0.14 -4.94 118.68 114.84 2gcx s LEU 60 Ca 0.29 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.74 2gcx s LEU 60 Cb -0.11 0.44 0.08 0.00 0.03 0.00 0.00 46.19 46.64 2gcx s LEU 60 CO 0.22 -0.25 0.40 0.54 0.23 0.00 0.00 176.35 177.49 2gcx n ARG 61 N 5.33 -0.73 0.14 1.70 5.12 -1.26 -0.82 116.66 126.14 2gcx n ARG 61 Ca -0.05 -0.63 0.00 0.00 -1.93 0.00 0.00 57.85 55.24 2gcx n ARG 61 Cb 0.50 -0.46 0.13 0.00 -1.16 0.00 0.00 32.46 31.48 2gcx n ARG 61 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2gcx h LYS 62 N 0.00 0.00 0.11 5.56 1.57 -1.94 -3.14 116.57 118.73 2gcx h LYS 62 Ca -0.14 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.35 2gcx h LYS 62 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2gcx h LYS 62 CO 0.09 0.61 -1.46 1.57 -0.57 0.00 0.00 179.45 179.69 2gcx h LYS 63 N 0.00 0.24 -0.08 3.15 2.10 -1.94 -3.25 116.57 116.79 2gcx h LYS 63 Ca -0.01 -0.42 -0.02 0.00 -2.00 0.00 0.00 60.65 58.21 2gcx h LYS 63 Cb 1.23 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.71 2gcx h LYS 63 CO 0.08 1.12 -0.04 -0.44 -2.00 0.00 0.00 179.45 178.17 2gcx h ASP 64 N 0.07 0.11 1.26 7.07 5.19 -1.92 -1.26 116.42 126.93 2gcx h ASP 64 Ca -0.22 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.10 2gcx h ASP 64 Cb 2.00 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.47 2gcx h ASP 64 CO 0.17 0.17 -0.39 -0.07 -3.12 0.00 0.00 179.24 175.99 2gcx h LEU 65 N 0.12 0.00 -1.71 1.55 3.38 -1.62 -3.01 115.31 114.02 2gcx h LEU 65 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2gcx h LEU 65 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2gcx h LEU 65 CO 0.01 0.39 -0.04 0.00 0.09 0.00 0.00 178.44 178.89 2gcx h ALA 66 N 1.61 1.77 0.00 1.53 0.00 -1.26 -3.27 119.26 119.64 2gcx h ALA 66 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2gcx h ALA 66 Cb 1.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2gcx h ALA 66 CO 0.05 0.18 -0.57 -0.07 0.00 0.00 0.00 179.25 178.84 2gcx h LEU 67 N 0.13 0.00-10.09 0.00 3.38 -1.58 -3.47 115.31 103.68 2gcx h LEU 67 Ca 0.03 -0.10 -0.53 0.00 0.09 0.00 0.00 57.88 57.37 2gcx h LEU 67 Cb 0.16 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.02 2gcx h LEU 67 CO 0.01 0.85 0.48 0.27 0.09 0.00 0.00 178.44 180.14 2gcx s ILE 68 N -2.19 2.66 0.12 1.22 -4.36 -1.14 -4.06 121.20 113.45 2gcx s ILE 68 Ca -0.16 0.42 0.06 0.00 -0.26 0.00 0.00 60.65 60.71 2gcx s ILE 68 Cb 0.02 -3.17 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 2gcx s ILE 68 CO 0.27 -0.08 -0.01 -0.70 0.24 0.00 0.00 174.94 174.66 2gcx s GLU 69 N -3.28 2.46 0.10 0.37 2.56 -0.60 -4.80 118.70 115.52 2gcx s GLU 69 Ca 0.76 -0.94 0.10 0.00 0.00 0.00 0.00 54.97 54.89 2gcx s GLU 69 Cb -0.30 -2.46 -0.04 0.00 2.00 0.00 0.00 34.13 33.33 2gcx s GLU 69 CO 0.33 0.51 -0.24 -0.51 -0.56 0.00 0.00 175.26 174.79 2gcx s LEU 70 N -2.52 2.38 0.02 2.70 2.01 -1.26 0.11 118.68 122.12 2gcx s LEU 70 Ca 0.26 -0.64 0.01 0.00 0.01 0.00 0.00 54.13 53.77 2gcx s LEU 70 Cb -0.11 -1.33 -0.01 0.00 0.01 0.00 0.00 46.19 44.75 2gcx s LEU 70 CO 0.18 0.21 -0.05 -0.70 1.01 0.00 0.00 176.35 177.00 2gcx s GLU 71 N -1.81 0.37 1.13 1.70 2.12 -0.75 -4.91 118.70 116.55 2gcx s GLU 71 Ca 0.14 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.86 2gcx s GLU 71 Cb -0.10 -0.21 0.14 0.00 0.26 0.00 0.00 34.13 34.22 2gcx s GLU 71 CO 0.06 0.04 0.14 0.00 -0.54 0.00 0.00 175.26 174.96 2gcx n ALA 72 N 2.22 -3.61 -2.23 6.30 0.00 -1.26 -1.16 120.51 120.78 2gcx n ALA 72 Ca -0.18 -1.30 -0.20 0.00 0.00 0.00 0.00 53.44 51.76 2gcx n ALA 72 Cb 0.57 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.20 3.52 -0.33 0.00 -7.23 -1.26 -4.35 120.40 108.55 2gcx s VAL 73 Ca 0.54 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.90 2gcx s VAL 73 Cb -0.11 -3.25 0.14 0.00 0.56 0.00 0.00 36.38 33.73 2gcx s VAL 73 CO 0.60 -0.13 0.33 0.00 -0.31 0.00 0.00 175.10 175.59 2gcx s ALA 74 N -2.43 -0.42 0.00 1.32 0.00 -1.26 -5.10 121.76 113.88 2gcx s ALA 74 Ca 0.51 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2gcx s ALA 74 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2gcx s ALA 74 CO 0.35 -1.91 0.00 0.00 0.00 0.00 0.00 175.76 174.20