#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 0.78 -0.23 0.03 2.00 -1.26 -5.13 119.66 115.85 2gcx s GLN 2 Ca 0.00 -0.33 0.02 0.00 -2.00 0.00 0.00 55.36 53.05 2gcx s GLN 2 Cb 0.00 -0.75 0.05 0.00 0.80 0.00 0.00 33.01 33.10 2gcx s GLN 2 CO 0.00 0.19 -0.12 -0.59 -0.50 0.00 0.00 175.29 174.27 2gcx s PHE 3 N -0.17 2.90 0.47 1.67 -0.71 -1.26 -5.12 117.98 115.75 2gcx s PHE 3 Ca 0.03 -1.98 -0.17 0.00 -1.04 0.00 0.00 56.93 53.77 2gcx s PHE 3 Cb -0.04 -1.82 -0.09 0.00 -1.21 0.00 0.00 43.02 39.86 2gcx s PHE 3 CO -0.00 -0.83 0.93 0.95 -1.34 0.00 0.00 175.22 174.93 2gcx s THR 4 N 1.23 4.54 -1.17 -4.49 -4.23 -1.26 -4.87 115.64 105.39 2gcx s THR 4 Ca -0.05 1.19 -0.22 0.00 -1.18 0.00 0.00 61.69 61.43 2gcx s THR 4 Cb -0.18 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 2gcx s THR 4 CO -0.07 -0.54 1.88 -2.16 -0.54 0.00 0.00 174.62 173.19 2gcx s PRO 5 N -3.75 2.81 0.00 3.99 0.04 -1.26 -3.29 135.00 133.54 2gcx s PRO 5 Ca 0.58 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 60.41 2gcx s PRO 5 Cb -0.10 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2gcx s PRO 5 CO 0.26 -3.54 0.00 -3.47 0.04 0.00 0.00 177.00 170.29 2gcx n ASP 6 N 13.05 0.00 -4.89 6.66 -0.08 -1.26 -4.96 116.55 125.07 2gcx n ASP 6 Ca 0.45 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.43 2gcx n ASP 6 Cb 0.47 0.02 -0.03 0.00 2.34 0.00 0.00 41.12 43.92 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 -1.24 6.47 0.68 1.67 0.15 -1.21 -4.92 113.70 115.31 2gcx s SER 7 Ca 0.00 0.86 -0.05 0.00 0.70 0.00 0.00 55.95 57.45 2gcx s SER 7 Cb 0.00 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.16 2gcx s SER 7 CO 0.00 -0.26 0.98 0.00 1.20 0.00 0.00 173.24 175.16 2gcx s ALA 8 N -2.18 3.26 0.33 5.45 0.00 -1.26 -4.08 121.76 123.28 2gcx s ALA 8 Ca 0.46 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 2gcx s ALA 8 Cb -0.11 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.52 2gcx s ALA 8 CO 0.30 -1.23 0.65 -1.58 0.00 0.00 0.00 175.76 173.90 2gcx s TRP 9 N -3.18 0.34 -0.06 0.00 0.52 -0.93 -4.02 118.94 111.61 2gcx s TRP 9 Ca 0.60 -0.82 0.05 0.00 0.02 0.00 0.00 56.10 55.95 2gcx s TRP 9 Cb -0.11 0.48 -0.00 0.00 -1.15 0.00 0.00 33.47 32.69 2gcx s TRP 9 CO 0.44 -1.31 -0.20 0.15 0.02 0.00 0.00 176.95 176.05 2gcx s LYS 10 N -3.06 2.23 -0.16 4.98 1.02 0.30 -1.85 119.74 123.19 2gcx s LYS 10 Ca 0.20 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 2gcx s LYS 10 Cb -0.03 -1.86 -0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2gcx s LYS 10 CO 0.12 0.26 0.99 0.42 -0.92 0.00 0.00 175.35 176.22 2gcx s ILE 11 N 0.07 4.76 -0.38 2.17 1.01 -0.40 -1.57 121.20 126.87 2gcx s ILE 11 Ca -0.07 1.97 0.13 0.00 0.00 0.00 0.00 60.65 62.68 2gcx s ILE 11 Cb -0.14 -4.28 0.41 0.00 0.01 0.00 0.00 42.46 38.46 2gcx s ILE 11 CO 0.04 -0.05 0.93 0.41 0.00 0.00 0.00 174.94 176.26 2gcx n THR 12 N 4.84 1.21 -1.52 2.92 -1.04 0.21 0.17 114.28 121.07 2gcx n THR 12 Ca 0.09 -4.07 -0.15 0.00 -2.04 0.00 0.00 64.05 57.88 2gcx n THR 12 Cb 0.48 -0.16 -0.12 0.00 -1.82 0.00 0.00 70.33 68.71 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 -0.08 -0.27 2.79 3.41 0.00 -1.25 -1.54 105.19 108.25 2gcx n GLY 13 Ca 0.21 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.27 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 10.36 -0.46 0.33 1.61 2.19 -1.26 -4.81 117.98 125.93 2gcx s PHE 14 Ca 0.99 0.28 0.08 0.00 0.33 0.00 0.00 56.93 58.61 2gcx s PHE 14 Cb -0.32 -0.29 -0.03 0.00 -1.31 0.00 0.00 43.02 41.07 2gcx s PHE 14 CO 0.22 -0.71 0.21 -1.12 1.83 0.00 0.00 175.22 175.65 2gcx s SER 15 N 2.39 5.03 0.63 6.13 0.01 -1.26 -4.47 113.70 122.17 2gcx s SER 15 Ca 0.09 -0.59 0.31 0.00 1.31 0.00 0.00 55.95 57.07 2gcx s SER 15 Cb -0.15 -0.91 1.73 0.00 0.21 0.00 0.00 66.02 66.90 2gcx s SER 15 CO -0.18 -0.29 2.04 0.08 0.41 0.00 0.00 173.24 175.30 2gcx h ARG 16 N 1.42 0.00 0.00 12.44 -0.00 -2.00 -3.21 114.38 123.03 2gcx h ARG 16 Ca -0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.39 2gcx h ARG 16 Cb 1.25 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 31.10 2gcx h ARG 16 CO 0.61 0.00 -0.22 -3.47 -0.00 0.00 0.00 179.97 176.89 2gcx n ASP 17 N -3.35 -1.30 -4.52 0.08 2.03 -1.26 -5.14 116.55 103.09 2gcx n ASP 17 Ca 0.01 -2.04 -0.52 0.00 0.52 0.00 0.00 54.79 52.76 2gcx n ASP 17 Cb 0.37 0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 41.38 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 -1.08 0.83 -2.65 5.18 3.06 -1.22 -4.94 119.36 118.55 2gcx n ILE 18 Ca -0.13 -0.21 -0.30 0.00 -2.50 0.00 0.00 62.75 59.61 2gcx n ILE 18 Cb 0.80 -0.43 -0.02 0.00 0.54 0.00 0.00 39.64 40.53 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 -0.19 6.48 0.48 9.51 0.01 -1.26 -4.92 113.70 123.81 2gcx s SER 19 Ca 0.77 1.22 0.16 0.00 1.31 0.00 0.00 55.95 59.40 2gcx s SER 19 Cb -0.99 -2.36 1.15 0.00 0.21 0.00 0.00 66.02 64.03 2gcx s SER 19 CO 0.54 -0.50 2.07 1.55 0.41 0.00 0.00 173.24 177.31 2gcx h PRO 20 N 0.93 0.00 -0.68 12.44 0.13 -1.96 -1.30 132.00 141.55 2gcx h PRO 20 Ca -0.47 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 2gcx h PRO 20 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2gcx h PRO 20 CO 0.63 0.10 0.24 0.00 -0.23 0.00 0.00 178.00 178.74 2gcx h ALA 21 N 1.90 0.91 0.15 -0.56 0.00 -1.97 1.30 119.26 120.99 2gcx h ALA 21 Ca -0.00 0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.71 2gcx h ALA 21 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gcx h ALA 21 CO 0.01 -0.23 -1.54 1.88 0.00 0.00 0.00 179.25 179.37 2gcx h TYR 22 N 0.39 0.59 0.63 0.00 -1.99 -1.88 -3.24 116.97 111.47 2gcx h TYR 22 Ca 0.36 -0.43 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 2gcx h TYR 22 Cb 0.53 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 39.24 2gcx h TYR 22 CO -0.19 1.60 -0.31 -0.09 -0.00 0.00 0.00 178.16 179.18 2gcx h ARG 23 N -0.11 -0.82 -0.21 4.88 9.65 -0.92 -2.73 114.38 124.11 2gcx h ARG 23 Ca -0.32 0.06 0.06 0.00 -1.10 0.00 0.00 59.98 58.68 2gcx h ARG 23 Cb 1.92 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 30.68 2gcx h ARG 23 CO 0.12 -0.55 0.41 1.96 2.80 0.00 0.00 179.97 184.71 2gcx h GLN 24 N -1.09 0.00 -0.15 0.20 1.08 0.15 0.13 115.11 115.43 2gcx h GLN 24 Ca -0.09 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.90 2gcx h GLN 24 Cb 0.65 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2gcx h GLN 24 CO 0.14 0.00 -0.76 -0.22 -0.95 0.00 0.00 178.83 177.05 2gcx h LYS 25 N 0.00 0.77 -0.47 1.46 3.64 -1.54 -3.26 116.57 117.17 2gcx h LYS 25 Ca 0.10 -0.63 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 2gcx h LYS 25 Cb 0.91 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2gcx h LYS 25 CO -0.00 1.24 0.17 1.25 -2.27 0.00 0.00 179.45 179.84 2gcx h LEU 26 N 0.50 0.66 -1.83 5.20 5.85 -0.45 -2.32 115.31 122.93 2gcx h LEU 26 Ca -0.05 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.64 2gcx h LEU 26 Cb 1.39 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2gcx h LEU 26 CO 0.16 0.66 0.59 -0.07 -0.34 0.00 0.00 178.44 179.44 2gcx h LEU 27 N 0.62 0.00 -1.47 2.25 3.38 -1.54 0.90 115.31 119.45 2gcx h LEU 27 Ca 0.15 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2gcx h LEU 27 Cb 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2gcx h LEU 27 CO -0.01 0.00 0.55 0.28 0.09 0.00 0.00 178.44 179.35 2gcx h SER 28 N 0.00 0.48 0.44 -0.43 0.02 -1.49 -1.04 113.55 111.53 2gcx h SER 28 Ca 0.26 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 61.08 2gcx h SER 28 Cb 1.44 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 2gcx h SER 28 CO -0.00 0.23 -1.70 0.18 -1.14 0.00 0.00 176.83 174.40 2gcx n LEU 29 N -4.51 0.52 0.00 5.07 7.99 0.29 -4.99 117.00 121.37 2gcx n LEU 29 Ca 0.17 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 2gcx n LEU 29 Cb 0.56 0.14 0.00 0.00 -0.11 0.00 0.00 43.42 44.01 2gcx n LEU 29 CO 0.31 0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.97 2gcx n GLY 30 N 1.43 0.71 3.44 -0.72 0.00 -0.40 -5.02 105.19 104.64 2gcx n GLY 30 Ca -0.13 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.82 3.17 0.55 1.61 -1.94 -1.26 -5.02 119.30 115.60 2gcx s MET 31 Ca 0.00 -1.02 -0.09 0.00 -1.71 0.00 0.00 55.69 52.87 2gcx s MET 31 Cb 0.00 -4.34 -0.04 0.00 2.01 0.00 0.00 34.83 32.46 2gcx s MET 31 CO 0.00 -1.79 0.92 -0.51 -0.01 0.00 0.00 175.02 173.63 2gcx s LEU 32 N 3.73 3.43 0.52 -0.03 1.02 -1.26 -4.79 118.68 121.29 2gcx s LEU 32 Ca 0.23 1.21 -0.18 0.00 0.02 0.00 0.00 54.13 55.40 2gcx s LEU 32 Cb -0.16 -4.21 -0.13 0.00 0.02 0.00 0.00 46.19 41.72 2gcx s LEU 32 CO 0.07 -0.72 0.11 -2.65 0.02 0.00 0.00 176.35 173.17 2gcx n PRO 33 N -2.46 0.18 -1.06 1.29 -0.02 -1.26 -2.53 135.00 129.14 2gcx n PRO 33 Ca 0.04 0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 2gcx n PRO 33 Cb 0.54 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.78 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 2.25 0.54 3.85 -1.23 0.00 0.45 -4.95 105.19 106.11 2gcx n GLY 34 Ca 0.09 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.77 3.33 -0.05 1.61 0.15 -0.79 -4.78 113.70 110.40 2gcx s SER 35 Ca 0.00 0.60 0.06 0.00 0.70 0.00 0.00 55.95 57.31 2gcx s SER 35 Cb 0.00 -0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 63.39 2gcx s SER 35 CO 0.00 -2.63 -0.24 -0.55 1.20 0.00 0.00 173.24 171.03 2gcx s SER 36 N -4.50 2.88 0.29 5.45 0.15 -1.26 -1.27 113.70 115.44 2gcx s SER 36 Ca 0.68 -0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.76 2gcx s SER 36 Cb -0.09 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.50 2gcx s SER 36 CO 0.52 0.24 0.52 0.72 1.20 0.00 0.00 173.24 176.44 2gcx s PHE 37 N -0.19 0.54 0.17 3.44 -0.71 -0.77 -4.78 117.98 115.68 2gcx s PHE 37 Ca -0.02 -0.90 0.07 0.00 -1.04 0.00 0.00 56.93 55.04 2gcx s PHE 37 Cb -0.13 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2gcx s PHE 37 CO 0.03 -1.11 -0.14 -1.01 -1.34 0.00 0.00 175.22 171.65 2gcx s HIS 38 N -3.51 1.59 -0.17 3.49 3.76 0.06 -2.18 115.29 118.33 2gcx s HIS 38 Ca 0.24 -0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 54.41 2gcx s HIS 38 Cb -0.01 -0.77 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 2gcx s HIS 38 CO 0.13 0.27 0.35 0.08 -0.85 0.00 0.00 174.74 174.72 2gcx s VAL 39 N -2.77 5.26 -0.20 -0.90 1.01 -1.26 -1.14 120.40 120.41 2gcx s VAL 39 Ca 0.18 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.82 2gcx s VAL 39 Cb -0.02 -3.69 -0.21 0.00 0.00 0.00 0.00 36.38 32.47 2gcx s VAL 39 CO 0.05 0.34 0.04 0.52 0.00 0.00 0.00 175.10 176.05 2gcx n VAL 40 N 3.83 1.59 -3.33 2.92 0.31 -0.67 -4.27 118.33 118.70 2gcx n VAL 40 Ca -0.10 -0.64 0.03 0.00 -0.01 0.00 0.00 64.34 63.63 2gcx n VAL 40 Cb 0.52 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.53 0.04 0.08 5.55 1.70 -1.26 -4.95 118.95 117.57 2gcx s ARG 41 Ca -0.27 0.09 -0.05 0.00 -0.47 0.00 0.00 55.73 55.03 2gcx s ARG 41 Cb 0.08 0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 2gcx s ARG 41 CO 0.69 -0.01 0.10 0.54 -1.08 0.00 0.00 175.30 175.53 2gcx s VAL 42 N 1.73 0.16 0.15 4.99 0.11 -1.26 -3.80 120.40 122.48 2gcx s VAL 42 Ca -0.02 -1.51 0.08 0.00 -2.93 0.00 0.00 61.98 57.60 2gcx s VAL 42 Cb -0.01 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 2gcx s VAL 42 CO -0.14 -0.75 -0.19 0.00 -3.33 0.00 0.00 175.10 170.69 2gcx s ALA 43 N -3.91 1.94 -0.73 1.54 0.00 -1.26 -4.81 121.76 114.53 2gcx s ALA 43 Ca 0.08 -1.42 0.26 0.00 0.00 0.00 0.00 51.96 50.88 2gcx s ALA 43 Cb 0.06 -0.20 0.72 0.00 0.00 0.00 0.00 23.12 23.71 2gcx s ALA 43 CO -0.09 0.27 1.68 -0.35 0.00 0.00 0.00 175.76 177.27 2gcx n PRO 44 N 0.51 0.26 0.14 0.00 -0.04 -1.26 -3.47 135.00 131.14 2gcx n PRO 44 Ca -0.15 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2gcx n PRO 44 Cb 0.56 -1.76 0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2gcx n PRO 44 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2gcx h LEU 45 N 0.00 0.00 0.00 1.53 8.10 -2.06 -3.48 115.31 119.40 2gcx h LEU 45 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.96 2gcx h LEU 45 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.95 2gcx h LEU 45 CO 0.00 0.01 0.00 0.61 -4.11 0.00 0.00 178.44 174.95 2gcx n GLY 46 N 1.18 1.16 3.27 0.17 0.00 -1.23 -5.18 105.19 104.57 2gcx n GLY 46 Ca 0.02 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 0.90 -0.33 1.61 1.01 -1.26 -4.97 116.67 113.63 2gcx s ASP 47 Ca 0.00 -1.46 -0.25 0.00 0.71 0.00 0.00 52.55 51.54 2gcx s ASP 47 Cb 0.00 0.34 0.01 0.00 1.01 0.00 0.00 42.92 44.28 2gcx s ASP 47 CO 0.00 -0.84 0.90 -2.16 0.21 0.00 0.00 175.17 173.27 2gcx s PRO 48 N -3.98 3.94 -0.10 8.23 0.05 -1.26 -3.98 135.00 137.90 2gcx s PRO 48 Ca 0.38 0.68 -0.03 0.00 0.05 0.00 0.00 61.00 62.09 2gcx s PRO 48 Cb 0.06 -3.76 -0.03 0.00 0.05 0.00 0.00 34.50 30.82 2gcx s PRO 48 CO 0.15 -0.83 0.01 0.54 0.05 0.00 0.00 177.00 176.93 2gcx s VAL 49 N 3.29 4.37 -0.09 -0.36 0.11 0.19 -4.82 120.40 123.08 2gcx s VAL 49 Ca 0.37 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 59.08 2gcx s VAL 49 Cb -0.13 -2.86 -0.05 0.00 -1.53 0.00 0.00 36.38 31.82 2gcx s VAL 49 CO 0.15 0.59 0.30 -1.00 -3.33 0.00 0.00 175.10 171.81 2gcx s HIS 50 N -0.70 3.59 -0.16 1.54 3.76 -1.25 -0.52 115.29 121.56 2gcx s HIS 50 Ca 0.11 0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 55.67 2gcx s HIS 50 Cb -0.12 -2.23 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2gcx s HIS 50 CO 0.02 0.50 0.12 0.96 -0.85 0.00 0.00 174.74 175.50 2gcx s ILE 51 N -0.44 5.35 -0.22 0.60 -4.36 0.57 -1.68 121.20 121.02 2gcx s ILE 51 Ca 0.19 0.16 -0.05 0.00 -0.26 0.00 0.00 60.65 60.69 2gcx s ILE 51 Cb -0.14 -3.39 -0.01 0.00 1.25 0.00 0.00 42.46 40.17 2gcx s ILE 51 CO 0.07 0.53 -0.01 -0.70 0.24 0.00 0.00 174.94 175.07 2gcx s GLU 52 N -0.28 3.47 0.18 0.37 2.12 -0.29 -1.05 118.70 123.21 2gcx s GLU 52 Ca 0.11 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 54.86 2gcx s GLU 52 Cb -0.12 -3.09 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 2gcx s GLU 52 CO 0.01 -0.17 0.02 0.25 -0.54 0.00 0.00 175.26 174.83 2gcx n THR 53 N 4.76 0.00 -1.53 -1.70 -2.24 -0.02 -0.76 114.28 112.79 2gcx n THR 53 Ca -0.18 -0.91 -0.22 0.00 -2.27 0.00 0.00 64.05 60.47 2gcx n THR 53 Cb 0.51 0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.43 0.32 -3.91 -0.78 5.12 -1.26 -1.61 116.66 114.11 2gcx n ARG 54 Ca -0.06 -0.33 -0.30 0.00 -1.93 0.00 0.00 57.85 55.24 2gcx n ARG 54 Cb 0.24 -2.33 0.02 0.00 -1.16 0.00 0.00 32.46 29.24 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 7.44 -5.41 -3.20 5.56 5.12 -1.26 -4.95 116.66 119.95 2gcx n ARG 55 Ca 0.57 0.59 -0.00 0.00 -1.93 0.00 0.00 57.85 57.08 2gcx n ARG 55 Cb 0.28 -5.45 -0.03 0.00 -1.16 0.00 0.00 32.46 26.10 2gcx n ARG 55 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2gcx s VAL 56 N -3.33 -0.88 -0.40 1.55 1.01 -0.63 -5.12 120.40 112.59 2gcx s VAL 56 Ca 0.62 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 2gcx s VAL 56 Cb -0.31 -0.97 0.05 0.00 0.00 0.00 0.00 36.38 35.15 2gcx s VAL 56 CO 0.83 -0.06 0.25 -0.55 0.00 0.00 0.00 175.10 175.57 2gcx s SER 57 N 2.75 5.74 0.24 3.32 0.15 -1.26 -0.84 113.70 123.81 2gcx s SER 57 Ca 0.14 -1.24 0.05 0.00 0.70 0.00 0.00 55.95 55.61 2gcx s SER 57 Cb -0.13 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2gcx s SER 57 CO -0.23 -0.47 0.34 -0.22 1.20 0.00 0.00 173.24 173.86 2gcx s LEU 58 N 1.51 4.24 -0.00 3.45 2.96 -0.22 -4.91 118.68 125.72 2gcx s LEU 58 Ca 0.02 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 2gcx s LEU 58 Cb -0.21 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 2gcx s LEU 58 CO 0.05 -0.08 0.30 0.54 -1.32 0.00 0.00 176.35 175.84 2gcx s VAL 59 N -2.01 5.24 0.00 1.68 0.11 -1.26 -0.32 120.40 123.85 2gcx s VAL 59 Ca 0.34 0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.77 2gcx s VAL 59 Cb -0.09 -3.58 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 2gcx s VAL 59 CO 0.29 0.44 -0.04 -0.22 -3.33 0.00 0.00 175.10 172.24 2gcx s LEU 60 N -1.52 2.05 0.54 2.54 2.96 0.32 -4.88 118.68 120.69 2gcx s LEU 60 Ca 0.26 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2gcx s LEU 60 Cb -0.14 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.43 2gcx s LEU 60 CO 0.14 -0.01 0.21 0.00 -1.32 0.00 0.00 176.35 175.37 2gcx s ARG 61 N -0.36 2.23 -0.07 1.98 1.70 -1.26 0.55 118.95 123.72 2gcx s ARG 61 Ca -0.01 -2.25 -0.26 0.00 -0.47 0.00 0.00 55.73 52.74 2gcx s ARG 61 Cb -0.03 -1.81 -0.23 0.00 -0.57 0.00 0.00 34.95 32.31 2gcx s ARG 61 CO -0.00 -0.53 1.01 -0.22 -1.08 0.00 0.00 175.30 174.47 2gcx h LYS 62 N 1.00 0.08 -0.92 3.89 1.63 -1.94 -2.01 116.57 118.30 2gcx h LYS 62 Ca -0.40 -0.09 0.22 0.00 -0.85 0.00 0.00 60.65 59.53 2gcx h LYS 62 Cb 1.32 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.90 2gcx h LYS 62 CO 0.65 0.84 0.61 1.57 -3.45 0.00 0.00 179.45 179.67 2gcx h LYS 63 N -0.64 0.34 0.00 1.90 2.10 -1.97 0.61 116.57 118.91 2gcx h LYS 63 Ca -0.01 -0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 2gcx h LYS 63 Cb 0.88 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.12 2gcx h LYS 63 CO 0.02 0.23 -0.76 0.22 -2.00 0.00 0.00 179.45 177.16 2gcx h ASP 64 N 0.35 0.00 1.08 7.07 1.82 -1.98 -3.26 116.42 121.50 2gcx h ASP 64 Ca 0.48 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 57.03 2gcx h ASP 64 Cb 1.28 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.27 2gcx h ASP 64 CO -0.17 0.55 -0.41 -0.07 -1.61 0.00 0.00 179.24 177.53 2gcx h LEU 65 N 0.00 0.00 -0.68 2.28 3.38 0.90 -2.57 115.31 118.62 2gcx h LEU 65 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2gcx h LEU 65 Cb 1.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2gcx h LEU 65 CO 0.06 0.41 -0.49 0.00 0.09 0.00 0.00 178.44 178.51 2gcx h ALA 66 N 1.59 0.88 0.00 1.53 0.00 -0.98 -3.33 119.26 118.95 2gcx h ALA 66 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2gcx h ALA 66 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2gcx h ALA 66 CO 0.05 0.61 -0.40 -0.07 0.00 0.00 0.00 179.25 179.44 2gcx h LEU 67 N 0.00 0.00-10.22 0.00 3.38 -1.63 -3.47 115.31 103.37 2gcx h LEU 67 Ca -0.00 -0.31 -0.52 0.00 0.09 0.00 0.00 57.88 57.14 2gcx h LEU 67 Cb 1.08 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.97 2gcx h LEU 67 CO 0.06 0.88 0.36 0.27 0.09 0.00 0.00 178.44 180.10 2gcx s ILE 68 N -2.05 2.77 -0.12 1.22 -4.36 -0.98 -4.07 121.20 113.61 2gcx s ILE 68 Ca -0.14 0.34 -0.03 0.00 -0.26 0.00 0.00 60.65 60.56 2gcx s ILE 68 Cb 0.01 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 2gcx s ILE 68 CO 0.32 -0.24 -0.01 -0.70 0.24 0.00 0.00 174.94 174.55 2gcx s GLU 69 N -4.20 3.31 0.12 0.37 2.56 -0.59 -4.80 118.70 115.46 2gcx s GLU 69 Ca 0.69 -0.46 0.04 0.00 0.00 0.00 0.00 54.97 55.24 2gcx s GLU 69 Cb -0.23 -2.86 -0.04 0.00 2.00 0.00 0.00 34.13 33.00 2gcx s GLU 69 CO 0.47 0.49 0.11 -0.51 -0.56 0.00 0.00 175.26 175.26 2gcx s LEU 70 N -0.30 3.84 -0.12 2.70 2.01 -1.26 0.64 118.68 126.19 2gcx s LEU 70 Ca 0.06 -0.05 -0.04 0.00 0.01 0.00 0.00 54.13 54.11 2gcx s LEU 70 Cb -0.12 -2.48 0.06 0.00 0.01 0.00 0.00 46.19 43.65 2gcx s LEU 70 CO 0.02 0.12 0.24 -0.70 1.01 0.00 0.00 176.35 177.04 2gcx s GLU 71 N -2.73 0.13 1.05 1.70 2.12 -0.61 -4.92 118.70 115.43 2gcx s GLU 71 Ca 0.30 0.68 -0.18 0.00 0.36 0.00 0.00 54.97 56.13 2gcx s GLU 71 Cb -0.11 -0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.21 2gcx s GLU 71 CO 0.23 -0.28 -0.14 0.00 -0.54 0.00 0.00 175.26 174.54 2gcx n ALA 72 N 5.21 -4.04 -2.88 6.30 0.00 -1.26 0.11 120.51 123.95 2gcx n ALA 72 Ca -0.08 -1.06 -0.32 0.00 0.00 0.00 0.00 53.44 51.98 2gcx n ALA 72 Cb 0.50 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 2gcx n ALA 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gcx s VAL 73 N -2.23 5.20 0.44 0.00 1.01 -1.26 -4.44 120.40 119.12 2gcx s VAL 73 Ca 0.52 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2gcx s VAL 73 Cb -0.12 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2gcx s VAL 73 CO 0.68 0.20 0.49 0.00 0.00 0.00 0.00 175.10 176.47 2gcx s ALA 74 N -1.42 4.32 -2.00 5.51 0.00 -1.26 -5.04 121.76 121.88 2gcx s ALA 74 Ca 0.31 -1.79 0.27 0.00 0.00 0.00 0.00 51.96 50.75 2gcx s ALA 74 Cb -0.13 -1.27 1.64 0.00 0.00 0.00 0.00 23.12 23.36 2gcx s ALA 74 CO 0.23 -0.31 1.98 1.04 0.00 0.00 0.00 175.76 178.70