#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbm h LEU 2 N 0.00 0.00 -1.72 0.99 3.38 -1.96 -2.54 115.31 113.46 3gbm h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gbm h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gbm h LEU 2 CO 0.00 0.00 -0.07 0.49 0.09 0.00 0.00 178.44 178.95 3gbm n PHE 3 N -4.24 0.00 -1.04 1.13 3.01 -1.26 -4.97 117.46 110.08 3gbm n PHE 3 Ca 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.48 3gbm n PHE 3 Cb 0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 3gbm n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gbm n GLY 4 N 1.26 0.52 0.43 1.37 0.00 -0.96 -4.89 105.19 102.92 3gbm n GLY 4 Ca 0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 3gbm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm n ALA 5 N 1.03 1.48 -2.15 4.61 0.00 -1.26 -1.38 120.51 122.84 3gbm n ALA 5 Ca -0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3gbm n ALA 5 Cb 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 3gbm n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gbm s ILE 6 N -1.93 3.52 -1.48 0.00 1.01 -1.26 -1.45 121.20 119.61 3gbm s ILE 6 Ca -0.11 0.94 -0.07 0.00 0.00 0.00 0.00 60.65 61.41 3gbm s ILE 6 Cb 0.01 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.91 3gbm s ILE 6 CO 0.16 0.00 0.74 0.00 0.00 0.00 0.00 174.94 175.84 3gbm n ALA 7 N 5.28 -1.09 -2.00 9.38 0.00 -0.76 -4.33 120.51 127.00 3gbm n ALA 7 Ca 0.14 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3gbm n ALA 7 Cb 0.43 -4.11 0.00 0.00 0.00 0.00 0.00 19.45 15.77 3gbm n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbm n GLY 8 N -1.58 3.35 0.17 0.00 0.00 -1.04 -4.71 105.19 101.37 3gbm n GLY 8 Ca -0.06 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.71 3gbm n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3gbm h PHE 9 N 0.00 0.00 -3.57 1.61 -5.15 -1.12 -3.25 116.94 105.46 3gbm h PHE 9 Ca 0.00 0.00 -0.65 0.00 -0.20 0.00 0.00 57.97 57.12 3gbm h PHE 9 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 35.95 36.02 3gbm h PHE 9 CO 0.00 0.46 0.18 0.42 -2.00 0.00 0.00 178.31 177.37 3gbm s ILE 10 N -3.41 4.78 -0.47 0.88 1.01 -0.53 -4.07 121.20 119.38 3gbm s ILE 10 Ca 0.01 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.58 3gbm s ILE 10 Cb 0.10 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.36 3gbm s ILE 10 CO 0.71 -0.65 0.77 -1.83 0.00 0.00 0.00 174.94 173.95 3gbm s GLU 11 N 2.94 3.34 0.00 2.79 1.03 -1.23 -1.82 118.70 125.75 3gbm s GLU 11 Ca 0.24 -0.26 0.00 0.00 0.03 0.00 0.00 54.97 54.98 3gbm s GLU 11 Cb -0.14 -3.98 0.00 0.00 -0.80 0.00 0.00 34.13 29.21 3gbm s GLU 11 CO 0.19 -1.18 0.00 0.41 -1.33 0.00 0.00 175.26 173.35 3gbm n GLY 12 N 5.04 -2.23 3.99 -3.83 0.00 -1.26 -4.96 105.19 101.94 3gbm n GLY 12 Ca 0.01 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 3gbm n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gbm s GLY 13 N -2.17 1.76 -0.24 -0.02 0.00 -1.26 -4.91 107.32 100.48 3gbm s GLY 13 Ca 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 44.72 42.95 3gbm s GLY 13 CO 0.00 -1.19 -0.01 -0.98 0.00 0.00 0.00 173.10 170.91 3gbm s TRP 14 N -3.08 3.03 0.28 1.90 0.51 -1.26 -4.98 118.94 115.34 3gbm s TRP 14 Ca 0.65 -1.05 0.25 0.00 -2.12 0.00 0.00 56.10 53.82 3gbm s TRP 14 Cb -0.06 -2.13 1.13 0.00 -0.81 0.00 0.00 33.47 31.60 3gbm s TRP 14 CO 0.43 -0.58 1.93 1.96 -0.51 0.00 0.00 176.95 180.18 3gbm h GLN 15 N 8.12 0.00 -0.21 4.98 4.20 -2.04 -3.24 115.11 126.93 3gbm h GLN 15 Ca -0.37 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.24 3gbm h GLN 15 Cb 1.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 3gbm h GLN 15 CO 0.60 0.20 -0.30 0.78 -0.67 0.00 0.00 178.83 179.43 3gbm h GLY 16 N 1.46 0.46 -6.97 3.46 0.00 -2.04 -3.41 103.07 96.03 3gbm h GLY 16 Ca -0.00 -0.39 -0.60 0.00 0.00 0.00 0.00 47.33 46.34 3gbm h GLY 16 CO 0.03 0.36 0.64 -0.29 0.00 0.00 0.00 176.54 177.27 3gbm s MET 17 N -4.39 3.47 -0.09 4.80 -2.45 -1.22 -4.88 119.30 114.54 3gbm s MET 17 Ca -0.06 0.05 0.17 0.00 -1.25 0.00 0.00 55.69 54.60 3gbm s MET 17 Cb 0.14 -3.98 -0.25 0.00 1.25 0.00 0.00 34.83 31.99 3gbm s MET 17 CO 0.79 -1.37 0.25 1.33 1.05 0.00 0.00 175.02 177.07 3gbm n VAL 18 N 6.40 0.52 1.58 10.11 0.24 -1.26 -4.55 118.33 131.36 3gbm n VAL 18 Ca 0.05 -0.55 0.14 0.00 -2.04 0.00 0.00 64.34 61.94 3gbm n VAL 18 Cb 0.48 -0.20 0.59 0.00 -1.47 0.00 0.00 33.84 33.24 3gbm n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3gbm n ASP 19 N -2.36 1.21 -1.30 -1.34 3.85 -1.26 -4.97 116.55 110.39 3gbm n ASP 19 Ca -0.14 -1.42 -0.01 0.00 -0.71 0.00 0.00 54.79 52.51 3gbm n ASP 19 Cb 0.73 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.50 3gbm n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gbm n GLY 20 N 1.13 1.58 0.12 6.12 0.00 -1.26 -4.89 105.19 107.99 3gbm n GLY 20 Ca 0.20 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 3gbm n GLY 20 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gbm n TRP 21 N -0.09 0.00 -4.36 1.61 8.01 -1.26 -5.00 117.44 116.35 3gbm n TRP 21 Ca -0.01 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.94 3gbm n TRP 21 Cb 0.09 -0.94 -0.13 0.00 -2.01 0.00 0.00 31.31 28.32 3gbm n TRP 21 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3gbm s TYR 22 N -2.48 1.81 -1.54 -5.99 2.02 -1.26 -5.07 117.35 104.83 3gbm s TYR 22 Ca -0.29 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 3gbm s TYR 22 Cb 0.08 -1.01 0.00 0.00 -0.40 0.00 0.00 41.96 40.63 3gbm s TYR 22 CO 0.60 0.19 0.00 0.41 -1.57 0.00 0.00 175.55 175.17 3gbm n GLY 23 N 1.24 -0.64 3.36 0.71 0.00 -1.26 -1.43 105.19 107.16 3gbm n GLY 23 Ca -0.19 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3gbm n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbm s TYR 24 N -3.59 2.39 -0.13 1.61 1.51 0.13 -4.91 117.35 114.36 3gbm s TYR 24 Ca 0.00 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3gbm s TYR 24 Cb 0.00 -1.44 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 3gbm s TYR 24 CO 0.00 0.11 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.84 3gbm s HIS 25 N -0.77 1.97 0.17 2.71 2.46 -1.26 -1.22 115.29 119.34 3gbm s HIS 25 Ca 0.12 -1.04 0.09 0.00 0.47 0.00 0.00 55.06 54.70 3gbm s HIS 25 Cb -0.10 -1.47 -0.04 0.00 -0.13 0.00 0.00 32.58 30.84 3gbm s HIS 25 CO 0.02 -0.58 -0.12 -3.38 -2.47 0.00 0.00 174.74 168.21 3gbm s HIS 26 N 1.40 2.61 -0.02 3.88 -3.43 -0.74 -4.99 115.29 113.99 3gbm s HIS 26 Ca 0.02 -0.23 -0.01 0.00 -0.80 0.00 0.00 55.06 54.03 3gbm s HIS 26 Cb -0.13 -1.29 0.01 0.00 -1.43 0.00 0.00 32.58 29.74 3gbm s HIS 26 CO -0.08 0.49 0.06 -1.54 -2.00 0.00 0.00 174.74 171.67 3gbm s SER 27 N -2.69 -0.03 0.22 7.38 1.04 -1.26 -1.84 113.70 116.51 3gbm s SER 27 Ca 0.23 0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.70 3gbm s SER 27 Cb -0.09 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3gbm s SER 27 CO 0.14 -0.06 0.43 -0.46 0.98 0.00 0.00 173.24 174.27 3gbm n ASN 28 N 3.44 -1.25 -0.35 7.02 0.23 -0.38 -5.00 115.26 118.98 3gbm n ASN 28 Ca -0.17 -1.91 0.06 0.00 -0.53 0.00 0.00 54.58 52.03 3gbm n ASN 28 Cb 0.57 2.09 0.24 0.00 -2.08 0.00 0.00 39.78 40.60 3gbm n ASN 28 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3gbm h GLU 29 N 0.00 0.99 0.00 -3.83 4.81 -2.01 0.29 114.58 114.83 3gbm h GLU 29 Ca -0.19 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3gbm h GLU 29 Cb 0.69 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3gbm h GLU 29 CO 0.24 0.65 0.00 1.96 -0.73 0.00 0.00 179.01 181.13 3gbm h GLN 30 N 1.02 0.00 0.00 1.92 4.20 -1.96 -3.48 115.11 116.80 3gbm h GLN 30 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 3gbm h GLN 30 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3gbm h GLN 30 CO -0.23 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.34 3gbm n GLY 31 N -0.72 0.84 3.39 3.46 0.00 0.09 -5.12 105.19 107.13 3gbm n GLY 31 Ca -0.01 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 3gbm n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gbm s SER 32 N -4.00 2.44 0.00 1.61 1.04 -1.26 -1.25 113.70 112.28 3gbm s SER 32 Ca 0.00 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3gbm s SER 32 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3gbm s SER 32 CO 0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3gbm n GLY 33 N -0.52 -0.42 3.37 7.32 0.00 -0.77 -5.01 105.19 109.17 3gbm n GLY 33 Ca -0.05 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 3gbm n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbm s TYR 34 N -2.00 2.20 -0.10 1.61 1.51 -1.26 -1.79 117.35 117.51 3gbm s TYR 34 Ca 0.00 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.59 3gbm s TYR 34 Cb 0.00 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.71 3gbm s TYR 34 CO 0.00 0.34 0.27 0.00 -1.11 0.00 0.00 175.55 175.05 3gbm s ALA 35 N -1.22 -0.66 0.64 3.71 0.00 -0.36 -5.00 121.76 118.87 3gbm s ALA 35 Ca 0.14 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 3gbm s ALA 35 Cb -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3gbm s ALA 35 CO 0.06 -0.15 1.12 0.00 0.00 0.00 0.00 175.76 176.79 3gbm s ALA 36 N 0.47 2.51 -0.35 0.00 0.00 -1.26 0.21 121.76 123.33 3gbm s ALA 36 Ca -0.03 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 3gbm s ALA 36 Cb -0.04 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3gbm s ALA 36 CO -0.02 -1.18 0.37 0.34 0.00 0.00 0.00 175.76 175.26 3gbm s ASP 37 N -2.38 6.18 0.12 0.00 2.15 -0.52 -4.78 116.67 117.43 3gbm s ASP 37 Ca 0.69 -0.31 -0.15 0.00 0.43 0.00 0.00 52.55 53.20 3gbm s ASP 37 Cb -0.22 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 3gbm s ASP 37 CO 0.38 -0.37 1.55 0.50 -0.17 0.00 0.00 175.17 177.06 3gbm h LYS 38 N 8.51 0.66 -0.43 4.34 3.64 -1.96 -2.65 116.57 128.68 3gbm h LYS 38 Ca -0.29 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 3gbm h LYS 38 Cb 1.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3gbm h LYS 38 CO 0.71 0.78 0.07 0.93 -2.27 0.00 0.00 179.45 179.67 3gbm h GLU 39 N 0.48 0.72 0.00 1.90 5.08 -1.98 0.24 114.58 121.02 3gbm h GLU 39 Ca 0.10 -0.19 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 3gbm h GLU 39 Cb 0.49 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3gbm h GLU 39 CO 0.02 0.75 -0.97 0.66 -1.00 0.00 0.00 179.01 178.48 3gbm h SER 40 N 0.58 0.58 -0.41 1.42 4.64 -1.96 -1.14 113.55 117.26 3gbm h SER 40 Ca 0.13 -0.47 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 3gbm h SER 40 Cb 0.38 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3gbm h SER 40 CO 0.01 1.27 0.10 0.74 -0.87 0.00 0.00 176.83 178.08 3gbm h THR 41 N 0.25 1.21 -0.38 2.95 2.02 -1.29 -2.37 112.91 115.29 3gbm h THR 41 Ca -0.09 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 3gbm h THR 41 Cb 1.61 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3gbm h THR 41 CO 0.17 0.28 -0.17 -0.61 0.37 0.00 0.00 175.52 175.57 3gbm h GLN 42 N 0.70 0.79 -0.66 6.66 5.75 0.01 -1.99 115.11 126.37 3gbm h GLN 42 Ca 0.16 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 58.26 3gbm h GLN 42 Cb 0.28 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3gbm h GLN 42 CO -0.00 0.96 0.18 0.87 -2.65 0.00 0.00 178.83 178.19 3gbm h LYS 43 N 0.59 1.03 -0.28 1.69 6.56 -1.05 0.19 116.57 125.31 3gbm h LYS 43 Ca 0.09 -0.22 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3gbm h LYS 43 Cb 0.71 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 3gbm h LYS 43 CO 0.05 0.90 0.18 0.00 -2.06 0.00 0.00 179.45 178.52 3gbm h ALA 44 N 1.20 0.35 -0.45 3.86 0.00 -1.35 0.30 119.26 123.18 3gbm h ALA 44 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3gbm h ALA 44 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gbm h ALA 44 CO -0.00 -0.17 -0.01 0.82 0.00 0.00 0.00 179.25 179.89 3gbm h ILE 45 N 0.36 1.26 -0.60 0.00 2.04 -0.96 -1.37 117.51 118.25 3gbm h ILE 45 Ca 0.10 -1.07 0.12 0.00 1.00 0.00 0.00 64.86 65.01 3gbm h ILE 45 Cb -0.02 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.02 3gbm h ILE 45 CO -0.02 0.37 -0.06 0.44 0.00 0.00 0.00 178.15 178.88 3gbm h ASP 46 N 0.64 -0.38 0.40 1.72 3.32 -0.35 -1.20 116.42 120.58 3gbm h ASP 46 Ca 0.13 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3gbm h ASP 46 Cb 0.52 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3gbm h ASP 46 CO 0.03 -0.15 -0.19 1.23 -1.72 0.00 0.00 179.24 178.44 3gbm h GLY 47 N 0.07 -0.56 1.70 2.75 0.00 -0.53 -2.32 103.07 104.17 3gbm h GLY 47 Ca 0.30 0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.70 3gbm h GLY 47 CO -0.55 -0.20 -0.52 -2.08 0.00 0.00 0.00 176.54 173.18 3gbm h VAL 48 N -0.57 1.35 -0.04 4.60 2.07 -1.05 0.13 116.25 122.73 3gbm h VAL 48 Ca -0.06 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 3gbm h VAL 48 Cb 0.43 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3gbm h VAL 48 CO 0.09 0.54 0.01 0.74 0.02 0.00 0.00 177.57 178.97 3gbm h THR 49 N 0.25 1.19 -0.91 2.57 2.02 -1.25 0.92 112.91 117.71 3gbm h THR 49 Ca 0.01 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.67 3gbm h THR 49 Cb 1.00 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.84 3gbm h THR 49 CO 0.09 0.15 0.58 0.78 0.37 0.00 0.00 175.52 177.49 3gbm h ASN 50 N -0.15 0.95 -0.09 4.18 -0.26 -1.10 0.06 115.58 119.17 3gbm h ASN 50 Ca 0.01 -0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.76 3gbm h ASN 50 Cb 0.24 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 3gbm h ASN 50 CO 0.00 0.64 0.02 0.50 -1.06 0.00 0.00 177.43 177.53 3gbm h LYS 51 N 1.11 0.05 -0.63 0.81 3.64 -0.53 0.37 116.57 121.38 3gbm h LYS 51 Ca 0.37 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 3gbm h LYS 51 Cb 0.06 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3gbm h LYS 51 CO -0.14 0.04 0.09 0.28 -2.27 0.00 0.00 179.45 177.45 3gbm h VAL 52 N 0.06 1.26 -0.72 2.00 2.07 -0.49 -0.97 116.25 119.45 3gbm h VAL 52 Ca 0.04 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3gbm h VAL 52 Cb 0.03 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3gbm h VAL 52 CO -0.06 0.38 0.35 0.78 0.02 0.00 0.00 177.57 179.05 3gbm h ASN 53 N 0.97 0.94 -0.75 0.57 2.35 -0.73 -1.91 115.58 117.01 3gbm h ASN 53 Ca 0.19 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3gbm h ASN 53 Cb 0.45 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3gbm h ASN 53 CO 0.01 0.80 0.28 0.28 -1.65 0.00 0.00 177.43 177.16 3gbm h SER 54 N 1.01 1.06 -0.51 5.81 0.02 0.17 -0.22 113.55 120.89 3gbm h SER 54 Ca 0.25 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3gbm h SER 54 Cb 0.11 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3gbm h SER 54 CO -0.03 0.96 0.03 0.40 -1.14 0.00 0.00 176.83 177.05 3gbm h ILE 55 N 1.11 1.26 -0.61 3.27 2.04 -0.95 -0.05 117.51 123.58 3gbm h ILE 55 Ca 0.25 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 3gbm h ILE 55 Cb 0.24 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3gbm h ILE 55 CO -0.02 0.36 0.03 0.40 0.00 0.00 0.00 178.15 178.93 3gbm h ILE 56 N 0.75 1.26 -0.44 -0.67 2.04 -1.22 -3.00 117.51 116.23 3gbm h ILE 56 Ca 0.15 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3gbm h ILE 56 Cb 0.47 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3gbm h ILE 56 CO 0.02 0.41 0.20 -0.78 0.00 0.00 0.00 178.15 178.00 3gbm h ASP 57 N 0.96 0.59 0.65 1.72 3.58 -0.75 -3.10 116.42 120.08 3gbm h ASP 57 Ca 0.18 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3gbm h ASP 57 Cb 0.52 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3gbm h ASP 57 CO 0.03 0.56 0.00 0.50 -2.88 0.00 0.00 179.24 177.45 3gbm h LYS 58 N 0.57 0.00 -0.35 0.28 1.63 -0.88 -2.66 116.57 115.17 3gbm h LYS 58 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3gbm h LYS 58 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3gbm h LYS 58 CO -0.02 0.00 0.00 -1.33 -3.45 0.00 0.00 179.45 174.65 3gbm n MET 59 N -2.56 2.48 0.20 1.90 2.81 -1.16 -4.35 117.12 116.43 3gbm n MET 59 Ca 0.01 -2.25 0.05 0.00 -1.81 0.00 0.00 57.70 53.69 3gbm n MET 59 Cb 0.21 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.65 3gbm n MET 59 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3gbm h ASN 60 N 4.46 0.00 -0.43 7.83 2.35 -1.53 -3.27 115.58 124.99 3gbm h ASN 60 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 3gbm h ASN 60 Cb 0.98 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.26 3gbm h ASN 60 CO 0.00 0.30 0.20 0.35 -1.65 0.00 0.00 177.43 176.63 3gbm n THR 61 N -4.01 1.87 -3.24 2.81 -2.24 -1.26 -4.97 114.28 103.23 3gbm n THR 61 Ca -0.02 -0.89 -0.30 0.00 -2.27 0.00 0.00 64.05 60.57 3gbm n THR 61 Cb 0.36 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 3gbm n THR 61 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3gbm s GLN 62 N -1.81 3.74 0.54 -0.78 0.74 -1.24 -5.03 119.66 115.83 3gbm s GLN 62 Ca 0.29 0.24 -0.22 0.00 0.05 0.00 0.00 55.36 55.72 3gbm s GLN 62 Cb 0.24 -2.58 -0.05 0.00 1.10 0.00 0.00 33.01 31.72 3gbm s GLN 62 CO 0.07 0.19 1.34 0.34 -0.55 0.00 0.00 175.29 176.68 3gbm n PHE 63 N -0.72 2.24 -3.76 1.67 7.35 -1.26 -5.04 117.46 117.93 3gbm n PHE 63 Ca 0.00 0.43 -0.25 0.00 -0.76 0.00 0.00 57.45 56.88 3gbm n PHE 63 Cb 0.53 -2.36 -0.17 0.00 0.35 0.00 0.00 39.48 37.84 3gbm n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3gbm s GLU 64 N -2.86 0.68 0.79 -4.13 2.02 -1.26 -5.01 118.70 108.93 3gbm s GLU 64 Ca 0.71 -0.11 -0.11 0.00 0.02 0.00 0.00 54.97 55.49 3gbm s GLU 64 Cb -0.42 -1.44 0.07 0.00 0.10 0.00 0.00 34.13 32.44 3gbm s GLU 64 CO 0.49 -0.43 1.09 0.00 0.02 0.00 0.00 175.26 176.44 3gbm s ALA 65 N 1.92 2.17 -0.02 5.21 0.00 -1.26 -5.07 121.76 124.71 3gbm s ALA 65 Ca 0.03 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 3gbm s ALA 65 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3gbm s ALA 65 CO -0.06 -1.85 0.09 0.08 0.00 0.00 0.00 175.76 174.02 3gbm s VAL 66 N -2.90 0.04 0.06 0.00 1.01 -1.26 -5.14 120.40 112.20 3gbm s VAL 66 Ca 0.61 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3gbm s VAL 66 Cb -0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 3gbm s VAL 66 CO 0.56 -0.16 1.14 -0.83 0.00 0.00 0.00 175.10 175.81 3gbm s GLY 67 N -0.51 2.57 -0.04 4.51 0.00 -1.26 -5.04 107.32 107.56 3gbm s GLY 67 Ca -0.06 0.77 0.01 0.00 0.00 0.00 0.00 44.72 45.44 3gbm s GLY 67 CO 0.00 1.92 -0.03 0.50 0.00 0.00 0.00 173.10 175.50 3gbm s ARG 68 N 0.92 0.64 0.05 2.90 0.52 -1.26 -5.15 118.95 117.57 3gbm s ARG 68 Ca 0.56 -0.03 -0.16 0.00 -0.52 0.00 0.00 55.73 55.58 3gbm s ARG 68 Cb -0.27 -0.72 -0.06 0.00 0.52 0.00 0.00 34.95 34.41 3gbm s ARG 68 CO 0.29 -0.11 0.48 -1.21 0.02 0.00 0.00 175.30 174.78 3gbm s GLU 69 N 1.00 4.01 -0.00 3.54 0.41 -1.26 -5.09 118.70 121.32 3gbm s GLU 69 Ca -0.10 0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 3gbm s GLU 69 Cb -0.14 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 3gbm s GLU 69 CO -0.01 0.64 -0.00 -0.06 -0.49 0.00 0.00 175.26 175.33 3gbm s PHE 70 N -1.16 0.06 0.72 1.61 0.40 -1.26 -5.06 117.98 113.29 3gbm s PHE 70 Ca 0.28 -0.00 -0.07 0.00 -0.60 0.00 0.00 56.93 56.54 3gbm s PHE 70 Cb -0.17 -0.06 0.07 0.00 0.51 0.00 0.00 43.02 43.37 3gbm s PHE 70 CO 0.16 -0.01 1.03 0.54 0.70 0.00 0.00 175.22 177.65 3gbm s ASN 71 N 0.07 4.72 0.09 1.36 2.20 -1.26 -4.91 114.94 117.21 3gbm s ASN 71 Ca -0.00 0.44 0.09 0.00 -0.94 0.00 0.00 52.86 52.44 3gbm s ASN 71 Cb -0.01 -1.05 0.46 0.00 -2.00 0.00 0.00 41.25 38.65 3gbm s ASN 71 CO -0.00 -1.67 1.29 -3.20 -2.94 0.00 0.00 177.10 170.58 3gbm n ASN 72 N -2.97 0.18 -0.95 3.54 2.85 -1.26 -0.54 115.26 116.11 3gbm n ASN 72 Ca 0.09 0.57 0.08 0.00 -0.11 0.00 0.00 54.58 55.20 3gbm n ASN 72 Cb 0.60 -0.60 0.26 0.00 1.24 0.00 0.00 39.78 41.28 3gbm n ASN 72 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3gbm n LEU 73 N -1.73 3.98 -2.43 1.20 4.77 -1.26 -4.56 117.00 116.97 3gbm n LEU 73 Ca 0.00 -3.07 -0.18 0.00 -0.03 0.00 0.00 56.01 52.74 3gbm n LEU 73 Cb 0.06 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.61 3gbm n LEU 73 CO 0.06 0.71 0.10 -0.62 -1.33 0.00 0.00 177.39 176.30 3gbm n GLU 74 N -0.52 2.77 0.09 3.23 1.02 0.30 -4.88 120.64 122.65 3gbm n GLU 74 Ca 0.23 -4.00 -0.06 0.00 -0.02 0.00 0.00 57.16 53.31 3gbm n GLU 74 Cb 0.92 -1.96 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 3gbm n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gbm h ARG 75 N 2.54 0.02 -0.03 3.49 2.47 -1.80 -1.86 114.38 119.21 3gbm h ARG 75 Ca 0.17 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3gbm h ARG 75 Cb 1.22 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.55 3gbm h ARG 75 CO 0.64 0.88 0.02 0.00 0.56 0.00 0.00 179.97 182.07 3gbm h ARG 76 N 0.01 0.05 -0.32 0.04 3.08 -1.96 -1.83 114.38 113.45 3gbm h ARG 76 Ca -0.01 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3gbm h ARG 76 Cb 1.53 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.56 3gbm h ARG 76 CO 0.12 0.12 -0.00 0.82 -1.07 0.00 0.00 179.97 179.95 3gbm h ILE 77 N -0.04 1.26 -0.73 2.04 2.04 -1.96 0.34 117.51 120.47 3gbm h ILE 77 Ca 0.01 -0.96 0.10 0.00 1.00 0.00 0.00 64.86 65.02 3gbm h ILE 77 Cb 0.08 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3gbm h ILE 77 CO -0.00 0.31 0.48 -0.08 0.00 0.00 0.00 178.15 178.86 3gbm h GLU 78 N 0.37 0.58 0.17 2.37 4.81 -1.33 0.18 114.58 121.73 3gbm h GLU 78 Ca 0.09 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.05 3gbm h GLU 78 Cb 0.45 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.72 3gbm h GLU 78 CO 0.02 0.38 -1.04 -0.97 -0.73 0.00 0.00 179.01 176.67 3gbm h ASN 79 N 0.60 0.56 -0.90 1.04 -1.24 -0.87 -1.70 115.58 113.06 3gbm h ASN 79 Ca 0.34 -0.94 0.14 0.00 0.71 0.00 0.00 56.30 56.55 3gbm h ASN 79 Cb 0.52 -0.18 -0.07 0.00 0.73 0.00 0.00 38.32 39.32 3gbm h ASN 79 CO -0.12 1.50 0.58 0.25 -1.29 0.00 0.00 177.43 178.35 3gbm h LEU 80 N -0.23 0.68 0.30 0.34 6.46 0.48 -1.12 115.31 122.23 3gbm h LEU 80 Ca -0.19 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 3gbm h LEU 80 Cb 1.80 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 3gbm h LEU 80 CO 0.18 0.35 -0.14 -1.13 -0.62 0.00 0.00 178.44 177.07 3gbm h ASN 81 N 0.72 -0.34 -0.53 1.25 -0.73 -0.59 -1.51 115.58 113.86 3gbm h ASN 81 Ca 0.45 -0.20 0.09 0.00 1.87 0.00 0.00 56.30 58.51 3gbm h ASN 81 Cb 0.69 0.09 -0.08 0.00 0.27 0.00 0.00 38.32 39.29 3gbm h ASN 81 CO -0.21 0.09 0.10 0.50 -0.37 0.00 0.00 177.43 177.54 3gbm h LYS 82 N -0.86 0.22 -0.62 6.67 1.63 -1.06 -1.45 116.57 121.12 3gbm h LYS 82 Ca -0.04 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 3gbm h LYS 82 Cb 0.52 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3gbm h LYS 82 CO 0.07 0.15 0.05 0.87 -3.45 0.00 0.00 179.45 177.13 3gbm h LYS 83 N 0.23 1.04 0.31 1.90 6.56 -1.24 0.94 116.57 126.31 3gbm h LYS 83 Ca 0.27 -0.30 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 3gbm h LYS 83 Cb 0.38 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 3gbm h LYS 83 CO -0.36 0.99 -0.22 1.98 -2.06 0.00 0.00 179.45 179.79 3gbm h MET 84 N 0.97 -0.50 0.03 3.15 -1.53 -0.82 0.11 114.93 116.34 3gbm h MET 84 Ca 0.18 0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.47 3gbm h MET 84 Cb 0.49 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.65 3gbm h MET 84 CO 0.02 -0.33 -0.01 0.93 0.14 0.00 0.00 176.91 177.65 3gbm h GLU 85 N -0.52 -0.04 -1.05 0.39 5.08 -0.92 -0.96 114.58 116.56 3gbm h GLU 85 Ca -0.03 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.61 3gbm h GLU 85 Cb 0.44 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.59 3gbm h GLU 85 CO 0.01 0.29 0.65 -0.44 -1.00 0.00 0.00 179.01 178.53 3gbm h ASP 86 N -0.37 0.51 0.09 1.42 3.32 -0.87 -1.25 116.42 119.26 3gbm h ASP 86 Ca -0.00 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3gbm h ASP 86 Cb 0.35 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3gbm h ASP 86 CO 0.01 0.06 -0.16 1.23 -1.72 0.00 0.00 179.24 178.66 3gbm h GLY 87 N 0.43 -0.28 1.19 2.75 0.00 0.51 -1.56 103.07 106.11 3gbm h GLY 87 Ca 0.64 0.18 -0.14 0.00 0.00 0.00 0.00 47.33 48.00 3gbm h GLY 87 CO -0.38 -0.15 -0.31 0.74 0.00 0.00 0.00 176.54 176.43 3gbm h PHE 88 N -0.31 1.07 -0.79 5.60 -1.00 -0.30 -2.28 116.94 118.93 3gbm h PHE 88 Ca 0.02 -0.29 -0.02 0.00 2.81 0.00 0.00 57.97 60.49 3gbm h PHE 88 Cb 0.33 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 3gbm h PHE 88 CO -0.17 1.10 0.39 -0.07 -1.61 0.00 0.00 178.31 177.95 3gbm h LEU 89 N 0.76 1.02 -0.49 1.54 3.38 -1.18 -1.02 115.31 119.32 3gbm h LEU 89 Ca 0.08 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3gbm h LEU 89 Cb 0.88 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3gbm h LEU 89 CO 0.08 0.85 0.31 0.44 0.09 0.00 0.00 178.44 180.21 3gbm h ASP 90 N 1.11 0.53 -0.11 -0.43 3.32 -1.20 0.31 116.42 119.95 3gbm h ASP 90 Ca 0.27 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3gbm h ASP 90 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3gbm h ASP 90 CO -0.04 0.38 0.07 0.58 -1.72 0.00 0.00 179.24 178.51 3gbm h VAL 91 N 0.63 1.03 -0.24 -1.35 2.07 -1.07 -1.08 116.25 116.24 3gbm h VAL 91 Ca 0.18 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.48 3gbm h VAL 91 Cb -0.05 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3gbm h VAL 91 CO -0.06 0.03 -0.52 -0.50 0.02 0.00 0.00 177.57 176.54 3gbm h TRP 92 N 0.14 0.87 -0.58 1.57 4.06 -1.00 0.19 115.95 121.21 3gbm h TRP 92 Ca 0.04 -0.30 0.07 0.00 2.06 0.00 0.00 58.89 60.76 3gbm h TRP 92 Cb -0.01 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 27.92 3gbm h TRP 92 CO -0.07 1.07 0.27 1.15 -3.56 0.00 0.00 178.44 177.30 3gbm h THR 93 N 0.54 0.89 0.27 1.49 2.02 -0.33 0.02 112.91 117.80 3gbm h THR 93 Ca 0.02 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3gbm h THR 93 Cb 1.09 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3gbm h THR 93 CO 0.11 0.09 -0.13 0.22 0.37 0.00 0.00 175.52 176.18 3gbm h TYR 94 N 0.50 -0.33 -0.75 3.16 3.20 -0.73 -0.88 116.97 121.14 3gbm h TYR 94 Ca 0.27 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.30 3gbm h TYR 94 Cb 0.24 0.11 -0.12 0.00 1.54 0.00 0.00 36.73 38.50 3gbm h TYR 94 CO -0.12 -0.14 0.06 -0.91 -1.64 0.00 0.00 178.16 175.41 3gbm h ASN 95 N -0.46 -0.23 0.03 -2.11 2.35 -0.34 0.14 115.58 114.96 3gbm h ASN 95 Ca -0.04 0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3gbm h ASN 95 Cb 0.35 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3gbm h ASN 95 CO 0.06 -0.14 -0.02 0.00 -1.65 0.00 0.00 177.43 175.68 3gbm h ALA 96 N 1.68 -0.04 -1.00 -0.83 0.00 -0.68 -1.88 119.26 116.50 3gbm h ALA 96 Ca 0.42 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3gbm h ALA 96 Cb 0.73 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 3gbm h ALA 96 CO -0.62 -0.25 0.65 0.93 0.00 0.00 0.00 179.25 179.97 3gbm h GLU 97 N -0.60 1.16 0.08 0.00 5.08 -0.94 -2.66 114.58 116.70 3gbm h GLU 97 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3gbm h GLU 97 Cb 0.55 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3gbm h GLU 97 CO 0.01 0.77 -0.04 1.25 -1.00 0.00 0.00 179.01 180.00 3gbm h LEU 98 N 1.19 -0.09 -0.74 1.33 5.85 -0.59 -0.69 115.31 121.57 3gbm h LEU 98 Ca 0.43 -0.33 0.17 0.00 0.84 0.00 0.00 57.88 58.98 3gbm h LEU 98 Cb 0.14 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.07 3gbm h LEU 98 CO -0.16 0.29 0.12 0.25 -0.34 0.00 0.00 178.44 178.61 3gbm h LEU 99 N -0.49 -0.10 -0.42 2.25 5.85 -1.27 0.06 115.31 121.19 3gbm h LEU 99 Ca -0.01 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3gbm h LEU 99 Cb 0.42 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3gbm h LEU 99 CO 0.02 -0.09 -0.39 0.58 -0.34 0.00 0.00 178.44 178.22 3gbm h VAL 100 N 0.21 1.27 -0.66 1.05 2.07 -1.20 0.27 116.25 119.26 3gbm h VAL 100 Ca 0.42 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.38 3gbm h VAL 100 Cb 0.73 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3gbm h VAL 100 CO -0.56 0.52 0.43 -0.07 0.02 0.00 0.00 177.57 177.91 3gbm h LEU 101 N 0.74 0.74 0.01 2.57 3.38 -0.41 -0.38 115.31 121.96 3gbm h LEU 101 Ca 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3gbm h LEU 101 Cb 0.98 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.55 3gbm h LEU 101 CO 0.09 0.53 -0.29 0.24 0.09 0.00 0.00 178.44 179.11 3gbm h MET 102 N 0.87 0.17 0.00 1.13 2.86 -0.61 -3.10 114.93 116.26 3gbm h MET 102 Ca 0.24 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 3gbm h MET 102 Cb -0.08 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3gbm h MET 102 CO -0.06 0.97 -0.28 0.93 1.06 0.00 0.00 176.91 179.53 3gbm h GLU 103 N -0.53 0.00 0.16 1.72 4.39 -0.53 -2.11 114.58 117.68 3gbm h GLU 103 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3gbm h GLU 103 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3gbm h GLU 103 CO 0.06 0.28 -0.08 -0.91 -1.16 0.00 0.00 179.01 177.20 3gbm h ASN 104 N 0.00 -0.18 -0.74 1.42 2.35 -1.10 0.26 115.58 117.58 3gbm h ASN 104 Ca -0.00 -0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3gbm h ASN 104 Cb 0.52 0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 3gbm h ASN 104 CO 0.04 -0.09 0.37 -0.08 -1.65 0.00 0.00 177.43 176.02 3gbm h GLU 105 N -0.26 0.60 -0.21 0.81 4.81 -1.45 -0.24 114.58 118.63 3gbm h GLU 105 Ca -0.02 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3gbm h GLU 105 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3gbm h GLU 105 CO 0.04 0.40 0.06 0.00 -0.73 0.00 0.00 179.01 178.77 3gbm h ARG 106 N 0.62 0.33 -0.51 1.92 3.08 -0.80 -2.07 114.38 116.95 3gbm h ARG 106 Ca 0.37 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.44 3gbm h ARG 106 Cb 0.41 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 3gbm h ARG 106 CO -0.29 0.44 0.05 1.15 -1.07 0.00 0.00 179.97 180.25 3gbm h THR 107 N 0.16 0.65 -0.29 2.04 2.02 -0.01 0.46 112.91 117.94 3gbm h THR 107 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3gbm h THR 107 Cb 0.25 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3gbm h THR 107 CO -0.00 0.03 0.19 -0.07 0.37 0.00 0.00 175.52 176.04 3gbm h LEU 108 N 0.17 0.34 -1.36 2.58 3.38 -0.88 -0.91 115.31 118.63 3gbm h LEU 108 Ca 0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3gbm h LEU 108 Cb 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3gbm h LEU 108 CO -0.38 0.27 0.22 0.44 0.09 0.00 0.00 178.44 179.07 3gbm h ASP 109 N 0.39 0.58 -0.24 -0.43 3.45 -0.90 -1.36 116.42 117.90 3gbm h ASP 109 Ca 0.11 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3gbm h ASP 109 Cb -0.02 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3gbm h ASP 109 CO -0.02 0.50 0.16 0.15 -1.57 0.00 0.00 179.24 178.46 3gbm h PHE 110 N 0.65 0.30 -0.42 4.55 3.57 0.56 0.16 116.94 126.30 3gbm h PHE 110 Ca 0.16 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3gbm h PHE 110 Cb 0.08 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3gbm h PHE 110 CO 0.01 0.19 0.24 0.45 -2.23 0.00 0.00 178.31 176.96 3gbm h HIS 111 N 0.32 0.57 -0.34 0.41 3.86 -0.59 -0.66 115.15 118.73 3gbm h HIS 111 Ca 0.09 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3gbm h HIS 111 Cb -0.03 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 3gbm h HIS 111 CO -0.06 0.43 0.11 0.22 0.86 0.00 0.00 177.93 179.48 3gbm h ASP 112 N 0.55 0.10 -0.38 2.45 -0.00 -0.95 -0.83 116.42 117.37 3gbm h ASP 112 Ca 0.15 0.04 0.07 0.00 -0.00 0.00 0.00 57.03 57.29 3gbm h ASP 112 Cb 0.04 0.04 -0.07 0.00 -0.00 0.00 0.00 39.33 39.34 3gbm h ASP 112 CO -0.03 0.10 -0.04 -1.28 -0.00 0.00 0.00 179.24 177.99 3gbm h SER 113 N 0.25 -0.24 -0.73 2.28 0.87 -0.53 -2.03 113.55 113.41 3gbm h SER 113 Ca 0.16 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3gbm h SER 113 Cb 0.14 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3gbm h SER 113 CO -0.17 -0.08 0.48 0.78 -0.53 0.00 0.00 176.83 177.31 3gbm h ASN 114 N 0.05 0.84 -0.06 6.23 2.35 0.21 -0.54 115.58 124.66 3gbm h ASN 114 Ca 0.18 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3gbm h ASN 114 Cb 0.27 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3gbm h ASN 114 CO -0.35 0.60 0.02 0.58 -1.65 0.00 0.00 177.43 176.64 3gbm h VAL 115 N 0.99 1.13 -0.56 2.81 2.07 -0.92 -2.07 116.25 119.70 3gbm h VAL 115 Ca 0.27 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.49 3gbm h VAL 115 Cb -0.11 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3gbm h VAL 115 CO -0.06 0.11 0.13 0.50 0.02 0.00 0.00 177.57 178.27 3gbm h LYS 116 N -0.06 0.26 -0.90 1.57 3.64 -0.98 -0.17 116.57 119.93 3gbm h LYS 116 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3gbm h LYS 116 Cb 0.16 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3gbm h LYS 116 CO -0.00 0.17 0.53 -0.91 -2.27 0.00 0.00 179.45 176.97 3gbm h ASN 117 N 0.27 1.10 0.02 4.20 -0.26 -0.65 0.10 115.58 120.35 3gbm h ASN 117 Ca 0.29 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 3gbm h ASN 117 Cb 0.40 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3gbm h ASN 117 CO -0.36 0.85 -0.01 0.25 -1.06 0.00 0.00 177.43 177.11 3gbm h LEU 118 N 1.25 -0.02 -0.90 1.61 5.85 -0.88 -1.24 115.31 120.98 3gbm h LEU 118 Ca 0.32 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.16 3gbm h LEU 118 Cb -0.03 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 3gbm h LEU 118 CO -0.06 0.03 0.50 0.22 -0.34 0.00 0.00 178.44 178.78 3gbm h TYR 119 N -0.06 0.87 -0.05 1.25 3.20 -0.14 -1.94 116.97 120.10 3gbm h TYR 119 Ca -0.00 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 3gbm h TYR 119 Cb 0.06 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 3gbm h TYR 119 CO -0.06 0.21 -0.61 -0.44 -1.64 0.00 0.00 178.16 175.62 3gbm h ASP 120 N 0.69 0.22 0.01 -2.11 3.32 -0.53 -1.03 116.42 116.99 3gbm h ASP 120 Ca 0.50 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 3gbm h ASP 120 Cb 0.71 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3gbm h ASP 120 CO -0.36 0.77 -0.00 0.50 -1.72 0.00 0.00 179.24 178.43 3gbm h LYS 121 N 0.14 -0.01 -0.48 3.56 1.63 -0.50 -1.32 116.57 119.59 3gbm h LYS 121 Ca -0.01 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 3gbm h LYS 121 Cb 1.11 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 3gbm h LYS 121 CO 0.09 0.16 0.14 0.28 -3.45 0.00 0.00 179.45 176.68 3gbm h VAL 122 N -0.18 1.23 -0.47 2.00 2.07 -1.39 -2.78 116.25 116.73 3gbm h VAL 122 Ca -0.00 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3gbm h VAL 122 Cb 0.18 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3gbm h VAL 122 CO 0.00 0.28 0.14 -0.09 0.02 0.00 0.00 177.57 177.92 3gbm h ARG 123 N 0.64 0.29 0.00 1.57 2.43 -0.87 -1.39 114.38 117.05 3gbm h ARG 123 Ca 0.15 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3gbm h ARG 123 Cb 0.28 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3gbm h ARG 123 CO -0.00 0.19 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.44 3gbm h LEU 124 N 0.30 0.00 -0.00 3.80 3.38 -1.08 -2.20 115.31 119.51 3gbm h LEU 124 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gbm h LEU 124 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3gbm h LEU 124 CO -0.26 0.14 -0.01 1.56 0.09 0.00 0.00 178.44 179.96 3gbm h GLN 125 N 0.00 0.02 -0.09 1.13 4.20 -1.00 -3.34 115.11 116.03 3gbm h GLN 125 Ca -0.00 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 3gbm h GLN 125 Cb 0.42 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3gbm h GLN 125 CO 0.02 0.62 -0.76 -0.07 -0.67 0.00 0.00 178.83 177.98 3gbm h LEU 126 N -0.59 0.58 0.00 1.46 3.38 -1.32 -3.42 115.31 115.40 3gbm h LEU 126 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3gbm h LEU 126 Cb 0.63 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3gbm h LEU 126 CO 0.00 1.14 0.00 0.54 0.09 0.00 0.00 178.44 180.22 3gbm n ARG 127 N -3.85 0.00 -0.50 1.13 1.74 -0.84 -1.77 116.66 112.57 3gbm n ARG 127 Ca -0.05 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.10 3gbm n ARG 127 Cb 0.73 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.46 3gbm n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gbm n ASP 128 N 3.42 3.95 0.00 0.55 5.75 -1.26 -3.67 116.55 125.29 3gbm n ASP 128 Ca 0.00 -2.36 0.12 0.00 -0.01 0.00 0.00 54.79 52.54 3gbm n ASP 128 Cb 0.00 -0.52 0.56 0.00 -1.03 0.00 0.00 41.12 40.13 3gbm n ASP 128 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3gbm n ASN 129 N 0.88 0.00 -3.41 -1.12 4.13 -0.73 -4.85 115.26 110.16 3gbm n ASN 129 Ca 0.21 0.24 -0.19 0.00 1.68 0.00 0.00 54.58 56.52 3gbm n ASN 129 Cb 0.75 -0.40 -0.08 0.00 -1.54 0.00 0.00 39.78 38.50 3gbm n ASN 129 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gbm s ALA 130 N -2.81 1.83 -0.12 5.41 0.00 -1.24 -1.80 121.76 123.03 3gbm s ALA 130 Ca 0.17 -2.06 0.01 0.00 0.00 0.00 0.00 51.96 50.08 3gbm s ALA 130 Cb 0.16 1.48 0.02 0.00 0.00 0.00 0.00 23.12 24.78 3gbm s ALA 130 CO 0.41 -0.66 -0.12 0.21 0.00 0.00 0.00 175.76 175.60 3gbm s LYS 131 N -3.49 2.01 -0.54 0.00 2.20 0.26 -4.91 119.74 115.27 3gbm s LYS 131 Ca 0.41 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 55.29 3gbm s LYS 131 Cb 0.03 -1.85 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 3gbm s LYS 131 CO 0.27 -0.19 1.66 -2.00 -0.36 0.00 0.00 175.35 174.74 3gbm s GLU 132 N 1.38 3.04 0.40 4.03 2.12 -1.26 -1.63 118.70 126.77 3gbm s GLU 132 Ca 0.01 0.70 0.19 0.00 0.36 0.00 0.00 54.97 56.23 3gbm s GLU 132 Cb -0.13 -4.24 0.81 0.00 0.26 0.00 0.00 34.13 30.82 3gbm s GLU 132 CO -0.07 -2.24 1.80 -0.07 -0.54 0.00 0.00 175.26 174.15 3gbm h LEU 133 N 14.52 0.00 0.00 2.70 3.38 -1.52 -3.47 115.31 130.92 3gbm h LEU 133 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gbm h LEU 133 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gbm h LEU 133 CO 1.17 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.64 3gbm n GLY 134 N -0.04 1.02 0.00 0.83 0.00 -1.26 -4.96 105.19 100.78 3gbm n GLY 134 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3gbm n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gbm n ASN 135 N 0.00 1.11 0.00 1.61 0.23 -1.26 -4.74 115.26 112.21 3gbm n ASN 135 Ca 0.00 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 3gbm n ASN 135 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3gbm n ASN 135 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gbm n GLY 136 N -0.09 1.70 3.88 4.83 0.00 -1.26 -3.73 105.19 110.52 3gbm n GLY 136 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3gbm n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm s PHE 138 N -1.42 2.92 -0.36 0.00 0.40 -1.26 -1.16 117.98 117.10 3gbm s PHE 138 Ca 0.33 -1.17 -0.23 0.00 -0.60 0.00 0.00 56.93 55.26 3gbm s PHE 138 Cb -0.13 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.35 3gbm s PHE 138 CO 0.19 -0.63 0.76 -2.00 0.70 0.00 0.00 175.22 174.24 3gbm s GLU 139 N 1.42 3.77 0.52 0.44 2.12 -0.65 -4.83 118.70 121.49 3gbm s GLU 139 Ca 0.05 0.30 -0.21 0.00 0.36 0.00 0.00 54.97 55.47 3gbm s GLU 139 Cb -0.14 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.39 3gbm s GLU 139 CO -0.06 -0.81 1.20 -0.06 -0.54 0.00 0.00 175.26 174.99 3gbm s PHE 140 N 3.02 2.61 -1.72 5.30 0.40 -1.26 -0.58 117.98 125.75 3gbm s PHE 140 Ca 0.30 1.51 0.23 0.00 -0.60 0.00 0.00 56.93 58.37 3gbm s PHE 140 Cb -0.13 -3.45 0.15 0.00 0.51 0.00 0.00 43.02 40.09 3gbm s PHE 140 CO 0.16 -1.92 1.18 0.66 0.70 0.00 0.00 175.22 176.00 3gbm n TYR 141 N -1.02 0.00 -4.61 0.36 4.01 -0.74 -4.89 117.16 110.27 3gbm n TYR 141 Ca 0.10 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.57 3gbm n TYR 141 Cb 0.49 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.36 3gbm n TYR 141 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3gbm s HIS 142 N -2.61 2.49 -0.04 -0.72 -3.43 -1.26 -4.24 115.29 105.48 3gbm s HIS 142 Ca 0.17 -0.66 -0.30 0.00 -0.80 0.00 0.00 55.06 53.48 3gbm s HIS 142 Cb 0.18 -1.72 -0.04 0.00 -1.43 0.00 0.00 32.58 29.58 3gbm s HIS 142 CO 0.62 0.45 1.23 0.21 -2.00 0.00 0.00 174.74 175.26 3gbm s LYS 143 N -3.70 4.34 -0.42 -0.38 2.20 -1.26 -5.00 119.74 115.52 3gbm s LYS 143 Ca 0.35 1.72 0.03 0.00 -0.36 0.00 0.00 55.97 57.70 3gbm s LYS 143 Cb 0.09 -3.55 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 3gbm s LYS 143 CO 0.18 -0.46 0.17 0.00 -0.36 0.00 0.00 175.35 174.88 3gbm n ASP 145 N 3.77 -0.04 -0.32 0.00 3.85 -1.26 -4.65 116.55 117.91 3gbm n ASP 145 Ca 0.04 -1.42 0.06 0.00 -0.71 0.00 0.00 54.79 52.76 3gbm n ASP 145 Cb 0.37 -0.94 0.22 0.00 -1.35 0.00 0.00 41.12 39.42 3gbm n ASP 145 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3gbm h ASN 146 N -1.68 0.72 -0.45 -1.12 4.21 -1.99 0.38 115.58 115.65 3gbm h ASN 146 Ca -0.40 0.06 -0.14 0.00 1.21 0.00 0.00 56.30 57.04 3gbm h ASN 146 Cb 1.10 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 3gbm h ASN 146 CO 0.28 0.36 -0.26 1.05 -1.29 0.00 0.00 177.43 177.58 3gbm h GLU 147 N 0.81 0.98 -0.74 0.81 4.11 -1.99 -2.23 114.58 116.32 3gbm h GLU 147 Ca 0.46 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3gbm h GLU 147 Cb 0.53 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3gbm h GLU 147 CO -0.30 1.11 0.46 0.00 0.07 0.00 0.00 179.01 180.36 3gbm h MET 149 N 1.00 0.97 -0.05 0.00 2.86 -0.83 -2.48 114.93 116.40 3gbm h MET 149 Ca 0.27 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3gbm h MET 149 Cb -0.07 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3gbm h MET 149 CO -0.05 0.84 -0.45 1.49 1.06 0.00 0.00 176.91 179.80 3gbm h GLU 150 N 0.94 0.12 -0.21 1.72 4.57 -1.34 -2.08 114.58 118.29 3gbm h GLU 150 Ca 0.21 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 3gbm h GLU 150 Cb 0.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3gbm h GLU 150 CO -0.01 0.55 -0.27 0.66 -1.18 0.00 0.00 179.01 178.76 3gbm h SER 151 N 0.10 0.41 -0.38 1.04 4.64 -0.99 -1.17 113.55 117.20 3gbm h SER 151 Ca 0.01 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 3gbm h SER 151 Cb 0.84 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3gbm h SER 151 CO 0.06 0.68 0.06 0.58 -0.87 0.00 0.00 176.83 177.34 3gbm h VAL 152 N 0.36 1.24 0.00 0.95 2.07 -1.16 -0.45 116.25 119.26 3gbm h VAL 152 Ca 0.05 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 3gbm h VAL 152 Cb 0.66 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3gbm h VAL 152 CO 0.05 0.29 -0.33 0.03 0.02 0.00 0.00 177.57 177.63 3gbm h ARG 153 N 0.47 0.00 -0.46 1.57 3.08 -0.94 -3.08 114.38 115.01 3gbm h ARG 153 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3gbm h ARG 153 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3gbm h ARG 153 CO 0.01 0.33 0.00 0.27 -1.07 0.00 0.00 179.97 179.51 3gbm n ASN 154 N -3.55 3.24 -2.04 7.04 6.94 -0.48 -4.99 115.26 121.41 3gbm n ASN 154 Ca -0.00 -1.98 -0.13 0.00 -0.02 0.00 0.00 54.58 52.45 3gbm n ASN 154 Cb 0.47 -0.31 0.03 0.00 -2.36 0.00 0.00 39.78 37.62 3gbm n ASN 154 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gbm n GLY 155 N 0.94 0.07 2.40 4.83 0.00 -1.01 -4.95 105.19 107.47 3gbm n GLY 155 Ca 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 3gbm n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gbm n THR 156 N -3.92 1.56 -2.72 2.61 -2.24 -0.21 -5.05 114.28 104.30 3gbm n THR 156 Ca -0.02 -3.14 -0.41 0.00 -2.27 0.00 0.00 64.05 58.20 3gbm n THR 156 Cb 0.55 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 3gbm n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gbm s TYR 157 N -3.40 3.78 -0.82 4.78 6.14 -1.08 -4.83 117.35 121.93 3gbm s TYR 157 Ca 0.35 1.78 -0.17 0.00 0.64 0.00 0.00 57.07 59.66 3gbm s TYR 157 Cb 0.35 -3.07 0.15 0.00 0.42 0.00 0.00 41.96 39.81 3gbm s TYR 157 CO -0.03 0.15 0.91 -0.51 0.64 0.00 0.00 175.55 176.72 3gbm s ASP 158 N 0.20 6.56 0.25 4.32 1.01 -1.26 -4.93 116.67 122.83 3gbm s ASP 158 Ca 0.48 -2.10 -0.04 0.00 0.71 0.00 0.00 52.55 51.61 3gbm s ASP 158 Cb -0.23 -2.32 0.49 0.00 1.01 0.00 0.00 42.92 41.87 3gbm s ASP 158 CO 0.30 -0.93 1.70 0.22 0.21 0.00 0.00 175.17 176.67 3gbm h TYR 159 N 8.59 0.41 -0.51 4.23 3.20 -1.94 -2.73 116.97 128.23 3gbm h TYR 159 Ca 0.03 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3gbm h TYR 159 Cb 1.04 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3gbm h TYR 159 CO 1.05 -0.02 0.24 -1.35 -1.64 0.00 0.00 178.16 176.43 3gbm h PRO 160 N 0.35 0.71 -0.79 1.82 0.11 -1.98 -2.57 132.00 129.65 3gbm h PRO 160 Ca 0.43 -0.09 0.04 0.00 0.11 0.00 0.00 66.00 66.49 3gbm h PRO 160 Cb 0.71 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 3gbm h PRO 160 CO -0.47 0.56 0.50 0.37 -0.21 0.00 0.00 178.00 178.75 3gbm h GLN 161 N 0.71 0.94 -0.15 1.05 4.15 -1.91 -2.96 115.11 116.95 3gbm h GLN 161 Ca 0.18 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3gbm h GLN 161 Cb 0.09 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.56 3gbm h GLN 161 CO -0.02 0.62 0.00 0.66 -1.93 0.00 0.00 178.83 178.16 3gbm n TYR 162 N -4.61 0.18 -0.19 3.99 4.02 -1.21 -4.69 117.16 114.65 3gbm n TYR 162 Ca 0.09 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3gbm n TYR 162 Cb 0.10 -0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.52 3gbm n TYR 162 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3gbm h SER 163 N 3.62 0.00 -0.04 7.72 0.87 -1.28 -1.14 113.55 123.30 3gbm h SER 163 Ca 0.00 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3gbm h SER 163 Cb 0.81 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3gbm h SER 163 CO 0.00 0.01 -0.10 -0.08 -0.53 0.00 0.00 176.83 176.14 3gbm h GLU 164 N 0.26 0.14 -0.53 2.24 4.57 -1.84 -0.66 114.58 118.76 3gbm h GLU 164 Ca 0.30 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 3gbm h GLU 164 Cb 0.44 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3gbm h GLU 164 CO -0.39 0.68 -0.01 1.05 -1.18 0.00 0.00 179.01 179.17 3gbm h GLU 165 N -0.38 0.94 -0.36 1.92 4.11 -1.89 0.28 114.58 119.21 3gbm h GLU 165 Ca 0.00 -0.30 0.08 0.00 0.07 0.00 0.00 59.36 59.20 3gbm h GLU 165 Cb 0.68 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 3gbm h GLU 165 CO 0.02 0.96 -0.16 0.00 0.07 0.00 0.00 179.01 179.90 3gbm h ALA 166 N 0.95 0.12 -0.09 1.06 0.00 -1.25 -0.04 119.26 120.01 3gbm h ALA 166 Ca 0.15 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3gbm h ALA 166 Cb 0.54 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3gbm h ALA 166 CO 0.03 -0.53 -0.08 -0.09 0.00 0.00 0.00 179.25 178.58 3gbm h ARG 167 N -0.10 -0.09 0.00 0.00 2.43 -0.42 -1.76 114.38 114.45 3gbm h ARG 167 Ca 0.18 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3gbm h ARG 167 Cb 0.37 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3gbm h ARG 167 CO -0.42 -0.06 -0.36 -0.07 -1.51 0.00 0.00 179.97 177.55 3gbm h LEU 168 N -0.10 0.00 -0.13 3.80 3.38 -0.76 -2.10 115.31 119.41 3gbm h LEU 168 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3gbm h LEU 168 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gbm h LEU 168 CO -0.15 0.36 0.03 0.07 0.09 0.00 0.00 178.44 178.84 3gbm h LYS 169 N 0.00 0.21 -0.53 1.13 -0.00 -0.54 -2.65 116.57 114.19 3gbm h LYS 169 Ca -0.00 -0.05 0.07 0.00 -0.00 0.00 0.00 60.65 60.66 3gbm h LYS 169 Cb 0.64 -0.03 -0.06 0.00 -0.00 0.00 0.00 32.23 32.79 3gbm h LYS 169 CO 0.05 0.38 0.21 0.00 -0.00 0.00 0.00 179.45 180.09 3gbm h ARG 170 N 0.00 0.40 -4.30 0.07 3.08 -1.24 -3.10 114.38 109.29 3gbm h ARG 170 Ca 0.04 -0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.40 3gbm h ARG 170 Cb 0.27 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.25 3gbm h ARG 170 CO 0.00 0.26 2.59 0.39 -1.07 0.00 0.00 179.97 182.14 3gbm n GLU 171 N -4.97 1.96 0.05 0.04 1.02 -0.80 -2.51 120.64 115.44 3gbm n GLU 171 Ca 0.06 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 3gbm n GLU 171 Cb 0.20 -3.03 0.00 0.00 -0.02 0.00 0.00 31.44 28.59 3gbm n GLU 171 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gbm n GLU 172 N 6.65 0.00 0.00 3.49 -0.58 -1.17 -4.85 120.64 124.17 3gbm n GLU 172 Ca 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 3gbm n GLU 172 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.26 3gbm n GLU 172 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09