#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 2.30 -0.86 3.17 -0.21 -1.26 -5.04 119.66 117.76 2gcx s GLN 2 Ca 0.00 -1.68 -0.25 0.00 0.02 0.00 0.00 55.36 53.45 2gcx s GLN 2 Cb 0.00 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 2gcx s GLN 2 CO 0.00 0.00 1.81 -0.06 -2.12 0.00 0.00 175.29 174.92 2gcx s PHE 3 N -2.51 1.93 0.21 0.91 0.08 -1.26 -4.95 117.98 112.39 2gcx s PHE 3 Ca 0.40 0.37 0.09 0.00 0.12 0.00 0.00 56.93 57.91 2gcx s PHE 3 Cb 0.00 -4.20 -0.04 0.00 -0.57 0.00 0.00 43.02 38.21 2gcx s PHE 3 CO 0.23 -1.91 -0.06 0.95 -0.10 0.00 0.00 175.22 174.33 2gcx s THR 4 N 8.79 3.30 -0.94 0.64 -4.23 -1.26 -4.65 115.64 117.29 2gcx s THR 4 Ca 0.64 -1.73 -0.24 0.00 -1.18 0.00 0.00 61.69 59.17 2gcx s THR 4 Cb -0.07 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 2gcx s THR 4 CO 0.03 -0.20 1.79 -2.16 -0.54 0.00 0.00 174.62 173.54 2gcx s PRO 5 N -3.11 2.87 0.00 3.99 0.04 -1.26 -3.45 135.00 134.08 2gcx s PRO 5 Ca 0.27 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.78 2gcx s PRO 5 Cb -0.08 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2gcx s PRO 5 CO 0.17 -3.01 0.00 -3.47 0.04 0.00 0.00 177.00 170.73 2gcx n ASP 6 N 12.40 0.00 -4.97 6.66 2.03 -1.26 -4.94 116.55 126.47 2gcx n ASP 6 Ca 0.38 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.50 2gcx n ASP 6 Cb 0.48 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.88 2gcx n ASP 6 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gcx s SER 7 N 0.00 5.75 0.40 1.67 0.01 -1.22 -4.99 113.70 115.31 2gcx s SER 7 Ca 0.00 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.01 2gcx s SER 7 Cb 0.00 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.21 2gcx s SER 7 CO 0.00 -0.53 0.38 0.00 0.41 0.00 0.00 173.24 173.50 2gcx s ALA 8 N -2.26 4.06 0.28 1.44 0.00 -1.26 -3.49 121.76 120.53 2gcx s ALA 8 Ca 0.48 -1.80 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 2gcx s ALA 8 Cb -0.09 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 2gcx s ALA 8 CO 0.31 -0.17 0.46 -1.58 0.00 0.00 0.00 175.76 174.78 2gcx s TRP 9 N -2.41 0.68 -0.19 0.00 0.52 -0.88 -4.50 118.94 112.15 2gcx s TRP 9 Ca 0.47 -0.99 -0.06 0.00 0.02 0.00 0.00 56.10 55.54 2gcx s TRP 9 Cb -0.05 0.05 -0.03 0.00 -1.15 0.00 0.00 33.47 32.30 2gcx s TRP 9 CO 0.28 -1.04 0.02 0.15 0.02 0.00 0.00 176.95 176.38 2gcx s LYS 10 N -3.60 3.73 -0.04 4.98 -0.14 0.19 -1.96 119.74 122.90 2gcx s LYS 10 Ca 0.27 -0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 54.11 2gcx s LYS 10 Cb -0.00 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 2gcx s LYS 10 CO 0.13 0.12 1.11 0.42 -0.76 0.00 0.00 175.35 176.38 2gcx s ILE 11 N 0.73 4.46 -0.42 2.17 1.01 0.38 -1.37 121.20 128.16 2gcx s ILE 11 Ca 0.01 1.76 0.11 0.00 0.00 0.00 0.00 60.65 62.53 2gcx s ILE 11 Cb -0.14 -4.13 0.38 0.00 0.01 0.00 0.00 42.46 38.58 2gcx s ILE 11 CO 0.02 0.04 0.87 0.41 0.00 0.00 0.00 174.94 176.29 2gcx n THR 12 N 4.38 1.17 -1.55 2.92 -1.04 -0.31 0.17 114.28 120.02 2gcx n THR 12 Ca 0.09 -4.58 -0.13 0.00 -2.04 0.00 0.00 64.05 57.39 2gcx n THR 12 Cb 0.48 -0.48 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 -0.01 -0.30 2.74 3.41 0.00 -1.23 -1.09 105.19 108.71 2gcx n GLY 13 Ca 0.25 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 15.01 -0.34 0.30 1.61 2.19 -1.26 -4.73 117.98 130.75 2gcx s PHE 14 Ca 0.87 -0.49 0.01 0.00 0.33 0.00 0.00 56.93 57.66 2gcx s PHE 14 Cb -0.12 -0.47 0.06 0.00 -1.31 0.00 0.00 43.02 41.18 2gcx s PHE 14 CO 0.14 -0.94 0.41 0.43 1.83 0.00 0.00 175.22 177.10 2gcx n SER 15 N 4.86 0.71 0.07 6.13 7.64 -1.24 -4.13 113.62 127.64 2gcx n SER 15 Ca 0.03 -1.56 -0.00 0.00 1.01 0.00 0.00 58.87 58.35 2gcx n SER 15 Cb 0.45 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 2gcx n SER 15 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2gcx h ARG 16 N 0.00 0.00 -0.09 1.43 0.11 -1.97 -3.40 114.38 110.47 2gcx h ARG 16 Ca -0.14 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.77 2gcx h ARG 16 Cb 0.54 0.00 -0.26 0.00 1.11 0.00 0.00 29.97 31.36 2gcx h ARG 16 CO 0.16 0.42 -0.67 -0.25 0.10 0.00 0.00 179.97 179.73 2gcx n ASP 17 N -3.04 -0.01 -4.53 0.08 8.00 -1.26 -5.13 116.55 110.66 2gcx n ASP 17 Ca -0.06 -2.05 -0.43 0.00 0.71 0.00 0.00 54.79 52.96 2gcx n ASP 17 Cb 0.82 0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.98 2gcx n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gcx n ILE 18 N -0.32 2.05 -3.61 0.53 3.06 -1.26 -4.97 119.36 114.84 2gcx n ILE 18 Ca -0.09 -0.50 -0.33 0.00 -2.50 0.00 0.00 62.75 59.33 2gcx n ILE 18 Cb 0.89 -0.79 -0.05 0.00 0.54 0.00 0.00 39.64 40.22 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 -0.79 6.56 0.47 9.51 0.15 -1.26 -4.97 113.70 123.37 2gcx s SER 19 Ca 0.62 0.70 0.16 0.00 0.70 0.00 0.00 55.95 58.13 2gcx s SER 19 Cb -0.64 -2.14 1.15 0.00 -1.71 0.00 0.00 66.02 62.68 2gcx s SER 19 CO 0.58 0.09 2.03 1.55 1.20 0.00 0.00 173.24 178.70 2gcx h PRO 20 N 3.18 0.23 -0.68 5.44 0.13 -1.96 -0.81 132.00 137.53 2gcx h PRO 20 Ca -0.47 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.79 2gcx h PRO 20 Cb 1.18 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 2gcx h PRO 20 CO 0.70 0.15 0.08 0.00 -0.23 0.00 0.00 178.00 178.70 2gcx h ALA 21 N 1.78 0.78 0.12 -0.56 0.00 -1.98 1.27 119.26 120.67 2gcx h ALA 21 Ca 0.19 0.19 -0.28 0.00 0.00 0.00 0.00 54.91 55.01 2gcx h ALA 21 Cb 0.45 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2gcx h ALA 21 CO -0.04 -0.37 -1.42 1.88 0.00 0.00 0.00 179.25 179.30 2gcx h TYR 22 N 0.18 0.47 0.88 0.00 -1.99 -1.82 -3.22 116.97 111.47 2gcx h TYR 22 Ca 0.37 -0.35 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 2gcx h TYR 22 Cb 0.63 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 39.34 2gcx h TYR 22 CO -0.33 1.55 -0.42 -0.09 -0.00 0.00 0.00 178.16 178.88 2gcx h ARG 23 N -0.27 -1.14 -0.92 4.88 9.65 -0.74 -2.92 114.38 122.92 2gcx h ARG 23 Ca -0.30 0.08 0.20 0.00 -1.10 0.00 0.00 59.98 58.85 2gcx h ARG 23 Cb 1.79 0.26 -0.11 0.00 -1.39 0.00 0.00 29.97 30.51 2gcx h ARG 23 CO 0.07 -0.76 0.48 1.96 2.80 0.00 0.00 179.97 184.53 2gcx h GLN 24 N -1.19 0.55 -0.36 0.20 4.20 0.14 0.50 115.11 119.14 2gcx h GLN 24 Ca -0.12 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.66 2gcx h GLN 24 Cb 0.91 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2gcx h GLN 24 CO 0.20 0.36 0.40 -0.22 -0.67 0.00 0.00 178.83 178.90 2gcx h LYS 25 N 0.57 0.00 0.06 1.46 3.64 -1.53 -1.34 116.57 119.43 2gcx h LYS 25 Ca 0.55 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.69 2gcx h LYS 25 Cb 0.93 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2gcx h LYS 25 CO -0.44 0.00 -1.24 -0.07 -2.27 0.00 0.00 179.45 175.43 2gcx h LEU 26 N 0.00 0.18 -1.64 5.20 3.38 0.12 -3.32 115.31 119.23 2gcx h LEU 26 Ca 0.17 -0.74 0.24 0.00 0.09 0.00 0.00 57.88 57.64 2gcx h LEU 26 Cb 0.96 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2gcx h LEU 26 CO -0.00 1.52 0.64 -0.07 0.09 0.00 0.00 178.44 180.62 2gcx h LEU 27 N -0.63 0.28 -0.33 1.67 3.38 -0.60 0.10 115.31 119.18 2gcx h LEU 27 Ca -0.30 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 2gcx h LEU 27 Cb 1.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2gcx h LEU 27 CO -0.05 0.09 -0.25 0.77 0.09 0.00 0.00 178.44 179.08 2gcx h SER 28 N 0.27 0.80 0.61 -0.43 4.64 -1.51 -2.96 113.55 114.96 2gcx h SER 28 Ca 0.49 -0.45 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2gcx h SER 28 Cb 1.47 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2gcx h SER 28 CO -0.15 1.07 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.59 2gcx h LEU 29 N 0.53 0.00 0.00 5.97 3.38 -0.94 -3.46 115.31 120.78 2gcx h LEU 29 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2gcx h LEU 29 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2gcx h LEU 29 CO 0.07 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2gcx n GLY 30 N -0.26 0.89 3.30 0.83 0.00 -0.54 -5.06 105.19 104.35 2gcx n GLY 30 Ca -0.01 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2gcx n GLY 30 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2gcx s MET 31 N -0.55 2.74 0.25 1.61 0.23 -1.16 -5.03 119.30 117.40 2gcx s MET 31 Ca 0.00 -1.48 0.07 0.00 -1.03 0.00 0.00 55.69 53.24 2gcx s MET 31 Cb 0.00 -3.96 -0.04 0.00 -1.53 0.00 0.00 34.83 29.31 2gcx s MET 31 CO 0.00 -1.04 0.22 -0.51 -2.03 0.00 0.00 175.02 171.66 2gcx s LEU 32 N 1.50 3.88 -0.50 0.18 1.02 -1.26 -4.46 118.68 119.04 2gcx s LEU 32 Ca 0.04 -0.20 -0.42 0.00 0.02 0.00 0.00 54.13 53.57 2gcx s LEU 32 Cb -0.24 -2.42 -0.18 0.00 0.02 0.00 0.00 46.19 43.37 2gcx s LEU 32 CO 0.03 -0.04 2.18 -2.65 0.02 0.00 0.00 176.35 175.89 2gcx n PRO 33 N -1.18 0.20 0.00 1.29 -0.02 -1.26 -2.84 135.00 131.19 2gcx n PRO 33 Ca -0.08 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2gcx n PRO 33 Cb 0.58 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 7.27 1.79 4.00 -1.23 0.00 0.44 -4.95 105.19 112.50 2gcx n GLY 34 Ca 0.53 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.95 5.29 0.03 1.61 0.15 -0.86 -4.83 113.70 113.16 2gcx s SER 35 Ca 0.00 -0.69 0.09 0.00 0.70 0.00 0.00 55.95 56.05 2gcx s SER 35 Cb 0.00 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2gcx s SER 35 CO 0.00 -1.02 -0.26 -0.94 1.20 0.00 0.00 173.24 172.22 2gcx s SER 36 N -4.46 3.14 0.31 5.45 1.04 -1.26 0.14 113.70 118.07 2gcx s SER 36 Ca 0.56 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 56.35 2gcx s SER 36 Cb -0.07 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.75 2gcx s SER 36 CO 0.34 0.27 0.50 0.72 0.98 0.00 0.00 173.24 176.06 2gcx s PHE 37 N -0.76 0.72 -0.06 5.02 -0.71 -0.83 -4.66 117.98 116.70 2gcx s PHE 37 Ca 0.11 -1.05 0.02 0.00 -1.04 0.00 0.00 56.93 54.97 2gcx s PHE 37 Cb -0.10 0.10 0.02 0.00 -1.21 0.00 0.00 43.02 41.83 2gcx s PHE 37 CO 0.01 -1.12 -0.09 -1.58 -1.34 0.00 0.00 175.22 171.10 2gcx s HIS 38 N -3.33 1.22 0.34 3.49 2.46 -0.68 -2.08 115.29 116.72 2gcx s HIS 38 Ca 0.26 -0.44 -0.28 0.00 0.47 0.00 0.00 55.06 55.07 2gcx s HIS 38 Cb -0.01 -0.95 -0.10 0.00 -0.13 0.00 0.00 32.58 31.39 2gcx s HIS 38 CO 0.15 -0.27 1.33 0.08 -2.47 0.00 0.00 174.74 173.57 2gcx s VAL 39 N 0.84 2.61 -0.22 0.89 1.01 -1.23 -0.95 120.40 123.35 2gcx s VAL 39 Ca -0.12 0.61 0.09 0.00 0.00 0.00 0.00 61.98 62.56 2gcx s VAL 39 Cb -0.15 -3.39 -0.21 0.00 0.00 0.00 0.00 36.38 32.63 2gcx s VAL 39 CO 0.02 0.14 -0.04 0.52 0.00 0.00 0.00 175.10 175.74 2gcx n VAL 40 N 0.69 1.47 -3.65 2.92 0.31 -0.55 -4.13 118.33 115.39 2gcx n VAL 40 Ca 0.00 -0.70 -0.02 0.00 -0.01 0.00 0.00 64.34 63.61 2gcx n VAL 40 Cb 0.42 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.25 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 -2.51 0.02 0.09 5.55 1.70 -1.26 -4.75 118.95 117.79 2gcx s ARG 41 Ca -0.23 0.02 -0.09 0.00 -0.47 0.00 0.00 55.73 54.97 2gcx s ARG 41 Cb 0.08 0.01 -0.00 0.00 -0.57 0.00 0.00 34.95 34.46 2gcx s ARG 41 CO 0.71 -0.00 0.19 0.08 -1.08 0.00 0.00 175.30 175.20 2gcx s VAL 42 N 0.03 0.14 -0.07 4.99 1.01 -1.26 -4.06 120.40 121.17 2gcx s VAL 42 Ca 0.08 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2gcx s VAL 42 Cb -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2gcx s VAL 42 CO -0.17 -0.63 -0.20 0.00 0.00 0.00 0.00 175.10 174.10 2gcx s ALA 43 N -3.87 1.79 0.65 5.51 0.00 -1.26 -4.89 121.76 119.69 2gcx s ALA 43 Ca 0.06 -0.78 0.37 0.00 0.00 0.00 0.00 51.96 51.61 2gcx s ALA 43 Cb 0.05 -0.66 2.04 0.00 0.00 0.00 0.00 23.12 24.55 2gcx s ALA 43 CO -0.10 0.26 2.19 -1.35 0.00 0.00 0.00 175.76 176.76 2gcx h PRO 44 N 6.57 0.00 0.00 0.00 0.11 -2.00 -3.17 132.00 133.51 2gcx h PRO 44 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2gcx h PRO 44 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gcx h PRO 44 CO 0.47 0.00 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.01 2gcx h LEU 45 N 0.00 0.00 0.00 2.35 4.07 -2.04 -3.50 115.31 116.19 2gcx h LEU 45 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2gcx h LEU 45 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 2gcx h LEU 45 CO -0.00 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 2gcx n GLY 46 N 1.71 0.02 3.47 0.83 0.00 -1.20 -5.17 105.19 104.85 2gcx n GLY 46 Ca -0.03 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 0.22 -0.25 1.61 1.11 -1.26 -4.96 116.67 113.13 2gcx s ASP 47 Ca 0.00 -1.18 -0.25 0.00 0.18 0.00 0.00 52.55 51.30 2gcx s ASP 47 Cb 0.00 0.56 -0.00 0.00 1.07 0.00 0.00 42.92 44.55 2gcx s ASP 47 CO 0.00 -1.11 0.87 -2.16 1.18 0.00 0.00 175.17 173.95 2gcx s PRO 48 N -3.81 4.16 0.05 8.23 0.05 -1.26 -4.12 135.00 138.30 2gcx s PRO 48 Ca 0.28 0.97 0.03 0.00 0.05 0.00 0.00 61.00 62.33 2gcx s PRO 48 Cb 0.01 -3.66 -0.04 0.00 0.05 0.00 0.00 34.50 30.86 2gcx s PRO 48 CO 0.13 -0.57 0.05 0.54 0.05 0.00 0.00 177.00 177.19 2gcx s VAL 49 N 2.95 4.37 -0.09 -0.36 0.11 -0.01 -4.85 120.40 122.52 2gcx s VAL 49 Ca 0.36 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.69 2gcx s VAL 49 Cb -0.15 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.62 2gcx s VAL 49 CO 0.08 0.20 -0.12 -1.00 -3.33 0.00 0.00 175.10 170.94 2gcx s HIS 50 N -1.29 2.81 0.01 1.54 3.76 -1.26 0.15 115.29 121.01 2gcx s HIS 50 Ca 0.26 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 54.83 2gcx s HIS 50 Cb -0.12 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 2gcx s HIS 50 CO 0.18 0.07 0.24 0.96 -0.85 0.00 0.00 174.74 175.33 2gcx s ILE 51 N -0.30 5.35 -0.44 0.60 -4.36 0.17 -1.48 121.20 120.75 2gcx s ILE 51 Ca 0.03 -0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.35 2gcx s ILE 51 Cb -0.13 -3.56 0.11 0.00 1.25 0.00 0.00 42.46 40.13 2gcx s ILE 51 CO 0.03 0.32 0.28 -0.70 0.24 0.00 0.00 174.94 175.10 2gcx s GLU 52 N -1.93 2.31 0.18 0.37 2.12 -0.13 -1.13 118.70 120.50 2gcx s GLU 52 Ca 0.29 -1.74 0.03 0.00 0.36 0.00 0.00 54.97 53.90 2gcx s GLU 52 Cb -0.13 -3.77 0.03 0.00 0.26 0.00 0.00 34.13 30.52 2gcx s GLU 52 CO 0.18 -1.11 0.21 0.25 -0.54 0.00 0.00 175.26 174.25 2gcx n THR 53 N 4.79 0.00 -1.53 -1.70 -2.24 0.37 -1.69 114.28 112.29 2gcx n THR 53 Ca -0.06 -0.66 -0.34 0.00 -2.27 0.00 0.00 64.05 60.72 2gcx n THR 53 Cb 0.41 -0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.22 0.52 -2.48 -0.78 5.12 -1.26 -1.79 116.66 114.78 2gcx n ARG 54 Ca 0.03 -0.09 -0.09 0.00 -1.93 0.00 0.00 57.85 55.76 2gcx n ARG 54 Cb 0.20 -2.56 -0.00 0.00 -1.16 0.00 0.00 32.46 28.94 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 8.51 -2.45 -3.50 5.56 1.74 -1.26 -4.90 116.66 120.35 2gcx n ARG 55 Ca 0.51 0.44 -0.14 0.00 -0.77 0.00 0.00 57.85 57.89 2gcx n ARG 55 Cb 0.31 -5.02 -0.11 0.00 -1.02 0.00 0.00 32.46 26.62 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 -2.46 -0.45 -0.44 1.55 1.01 -0.74 -5.12 120.40 113.75 2gcx s VAL 56 Ca 0.01 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 2gcx s VAL 56 Cb -0.00 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.76 2gcx s VAL 56 CO 0.01 -0.09 0.34 -0.55 0.00 0.00 0.00 175.10 174.82 2gcx s SER 57 N 2.43 6.13 0.25 3.32 0.15 -1.26 -0.47 113.70 124.24 2gcx s SER 57 Ca 0.07 -1.10 0.05 0.00 0.70 0.00 0.00 55.95 55.67 2gcx s SER 57 Cb -0.15 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2gcx s SER 57 CO -0.12 -0.54 0.34 -0.76 1.20 0.00 0.00 173.24 173.35 2gcx s LEU 58 N 1.66 4.20 -0.11 3.45 1.43 -0.28 -4.92 118.68 124.12 2gcx s LEU 58 Ca 0.05 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2gcx s LEU 58 Cb -0.21 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 2gcx s LEU 58 CO 0.08 -0.09 -0.01 0.54 0.23 0.00 0.00 176.35 177.11 2gcx s VAL 59 N -2.02 4.19 0.18 -1.59 0.11 -1.26 0.44 120.40 120.44 2gcx s VAL 59 Ca 0.34 -0.28 0.05 0.00 -2.93 0.00 0.00 61.98 59.16 2gcx s VAL 59 Cb -0.09 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 31.94 2gcx s VAL 59 CO 0.28 0.57 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.78 2gcx s LEU 60 N -0.51 2.46 0.05 2.54 1.43 0.39 -4.92 118.68 120.12 2gcx s LEU 60 Ca 0.09 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 52.17 2gcx s LEU 60 Cb -0.12 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 2gcx s LEU 60 CO 0.02 -0.35 -0.14 -0.13 0.23 0.00 0.00 176.35 175.99 2gcx s ARG 61 N -3.76 0.86 0.59 1.70 0.52 -1.26 -0.83 118.95 116.77 2gcx s ARG 61 Ca 0.21 -0.83 0.29 0.00 -0.52 0.00 0.00 55.73 54.87 2gcx s ARG 61 Cb 0.03 -0.86 1.32 0.00 0.52 0.00 0.00 34.95 35.96 2gcx s ARG 61 CO 0.04 0.20 1.70 -0.22 0.02 0.00 0.00 175.30 177.04 2gcx h LYS 62 N 4.65 0.00 -0.00 3.54 1.63 -1.96 1.15 116.57 125.58 2gcx h LYS 62 Ca -0.39 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.21 2gcx h LYS 62 Cb 1.19 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2gcx h LYS 62 CO 0.42 0.00 -0.88 1.57 -3.45 0.00 0.00 179.45 177.12 2gcx h LYS 63 N 0.00 0.24 0.09 1.90 2.10 -1.95 -3.07 116.57 115.89 2gcx h LYS 63 Ca 0.34 -0.26 -0.26 0.00 -2.00 0.00 0.00 60.65 58.47 2gcx h LYS 63 Cb 1.85 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.25 2gcx h LYS 63 CO -0.00 0.98 -1.15 -0.44 -2.00 0.00 0.00 179.45 176.83 2gcx h ASP 64 N 0.14 0.43 0.75 7.07 3.32 0.89 -3.21 116.42 125.80 2gcx h ASP 64 Ca -0.05 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 2gcx h ASP 64 Cb 1.50 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 2gcx h ASP 64 CO 0.14 1.30 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.86 2gcx h LEU 65 N 0.11 0.00 -1.36 1.55 4.07 -1.19 -2.40 115.31 116.09 2gcx h LEU 65 Ca -0.11 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 2gcx h LEU 65 Cb 1.85 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.58 2gcx h LEU 65 CO 0.19 0.03 -0.31 0.00 -1.08 0.00 0.00 178.44 177.26 2gcx h ALA 66 N 1.97 1.34 0.00 1.53 0.00 -1.53 -3.29 119.26 119.28 2gcx h ALA 66 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2gcx h ALA 66 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2gcx h ALA 66 CO 0.00 0.39 -0.61 -0.07 0.00 0.00 0.00 179.25 178.96 2gcx h LEU 67 N 0.00 0.00-10.26 0.00 3.38 -1.59 -3.48 115.31 103.36 2gcx h LEU 67 Ca -0.00 -0.21 -0.47 0.00 0.09 0.00 0.00 57.88 57.29 2gcx h LEU 67 Cb 0.61 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.54 2gcx h LEU 67 CO 0.04 0.94 0.14 0.27 0.09 0.00 0.00 178.44 179.92 2gcx s ILE 68 N -2.18 2.22 0.17 1.22 -4.36 -1.08 -3.71 121.20 113.49 2gcx s ILE 68 Ca -0.17 0.07 0.09 0.00 -0.26 0.00 0.00 60.65 60.38 2gcx s ILE 68 Cb 0.02 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 2gcx s ILE 68 CO 0.32 -0.09 -0.10 -0.70 0.24 0.00 0.00 174.94 174.60 2gcx s GLU 69 N -4.72 2.04 0.15 0.37 2.12 -0.25 -4.81 118.70 113.60 2gcx s GLU 69 Ca 0.66 -1.24 0.06 0.00 0.36 0.00 0.00 54.97 54.81 2gcx s GLU 69 Cb -0.21 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 2gcx s GLU 69 CO 0.60 0.45 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.47 2gcx s LEU 70 N -2.70 2.49 -0.02 2.70 2.96 -1.26 -1.17 118.68 121.68 2gcx s LEU 70 Ca 0.24 -0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 53.12 2gcx s LEU 70 Cb -0.09 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.13 2gcx s LEU 70 CO 0.14 -0.24 0.18 -0.70 -1.32 0.00 0.00 176.35 174.42 2gcx s GLU 71 N -3.34 0.44 1.15 1.98 2.12 -0.47 -4.88 118.70 115.71 2gcx s GLU 71 Ca 0.15 -0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.17 2gcx s GLU 71 Cb -0.01 0.19 0.28 0.00 0.26 0.00 0.00 34.13 34.85 2gcx s GLU 71 CO 0.03 -0.10 1.03 0.00 -0.54 0.00 0.00 175.26 175.68 2gcx s ALA 72 N -0.96 -0.37 0.79 6.30 0.00 -1.26 0.56 121.76 126.82 2gcx s ALA 72 Ca -0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 2gcx s ALA 72 Cb -0.06 -3.22 0.15 0.00 0.00 0.00 0.00 23.12 20.00 2gcx s ALA 72 CO 0.02 -3.76 1.09 0.14 0.00 0.00 0.00 175.76 173.24 2gcx s VAL 73 N -2.53 2.07 -0.16 0.00 -7.23 -1.26 -4.10 120.40 107.18 2gcx s VAL 73 Ca 0.68 -0.45 -0.07 0.00 -1.81 0.00 0.00 61.98 60.32 2gcx s VAL 73 Cb -0.24 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2gcx s VAL 73 CO 0.64 0.00 0.10 0.00 -0.31 0.00 0.00 175.10 175.53 2gcx s ALA 74 N -3.35 3.65 -2.00 1.32 0.00 -1.26 -5.05 121.76 115.07 2gcx s ALA 74 Ca 0.69 -0.70 0.31 0.00 0.00 0.00 0.00 51.96 52.26 2gcx s ALA 74 Cb -0.04 -1.97 1.85 0.00 0.00 0.00 0.00 23.12 22.96 2gcx s ALA 74 CO 0.47 0.37 2.18 0.94 0.00 0.00 0.00 175.76 179.71