#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qum s ASN 2 N 0.00 7.10 -0.01 7.83 0.01 -1.26 -4.84 114.94 123.77 2qum s ASN 2 Ca 0.00 1.32 -0.30 0.00 -0.71 0.00 0.00 52.86 53.17 2qum s ASN 2 Cb 0.00 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 2qum s ASN 2 CO 0.00 -0.09 1.22 -0.54 -1.51 0.00 0.00 177.10 176.18 2qum s LYS 3 N 0.55 4.37 -0.23 -0.60 1.02 -1.25 -4.89 119.74 118.70 2qum s LYS 3 Ca 0.39 1.74 -0.09 0.00 0.02 0.00 0.00 55.97 58.03 2qum s LYS 3 Cb -0.19 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2qum s LYS 3 CO 0.21 -0.39 0.12 0.08 -0.92 0.00 0.00 175.35 174.45 2qum s VAL 4 N 1.82 4.98 0.42 3.17 1.01 -1.26 -1.20 120.40 129.34 2qum s VAL 4 Ca 0.58 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2qum s VAL 4 Cb -0.27 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2qum s VAL 4 CO 0.25 0.36 0.08 -0.83 0.00 0.00 0.00 175.10 174.96 2qum s GLY 5 N 1.11 2.60 -0.03 4.51 0.00 0.17 -0.93 107.32 114.74 2qum s GLY 5 Ca 0.06 -1.25 0.05 0.00 0.00 0.00 0.00 44.72 43.58 2qum s GLY 5 CO 0.04 -1.92 -0.19 -0.29 0.00 0.00 0.00 173.10 170.75 2qum s MET 6 N -3.78 1.70 0.14 2.90 -2.45 -0.91 -1.04 119.30 115.86 2qum s MET 6 Ca 0.23 -0.67 -0.30 0.00 -1.25 0.00 0.00 55.69 53.69 2qum s MET 6 Cb 0.04 -1.56 -0.08 0.00 1.25 0.00 0.00 34.83 34.48 2qum s MET 6 CO 0.12 0.35 1.28 0.12 1.05 0.00 0.00 175.02 177.95 2qum s PHE 7 N -0.25 3.33 -0.01 4.11 5.36 -0.89 -2.16 117.98 127.46 2qum s PHE 7 Ca 0.03 1.21 0.17 0.00 -0.96 0.00 0.00 56.93 57.38 2qum s PHE 7 Cb -0.09 -3.55 0.94 0.00 -0.34 0.00 0.00 43.02 39.98 2qum s PHE 7 CO 0.01 -1.74 1.47 0.10 -1.46 0.00 0.00 175.22 173.60 2qum h TYR 8 N 6.03 0.00 -0.55 10.12 -0.00 -1.20 -2.45 116.97 128.92 2qum h TYR 8 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 2qum h TYR 8 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.94 2qum h TYR 8 CO 0.64 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 179.05 2qum n THR 9 N -2.18 2.12 -0.20 -0.90 -2.24 -1.26 -4.61 114.28 105.00 2qum n THR 9 Ca -0.01 -1.17 -0.00 0.00 -2.27 0.00 0.00 64.05 60.60 2qum n THR 9 Cb 0.22 -0.14 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 2qum n THR 9 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2qum h TYR 10 N 3.65 -0.24 0.07 4.78 -0.00 -1.69 -2.83 116.97 120.71 2qum h TYR 10 Ca 0.00 0.05 -0.32 0.00 -0.00 0.00 0.00 58.73 58.46 2qum h TYR 10 Cb 1.62 0.20 -0.03 0.00 -0.00 0.00 0.00 36.73 38.52 2qum h TYR 10 CO 0.86 -0.23 -1.77 -1.49 -0.00 0.00 0.00 178.16 175.53 2qum h TRP 11 N 0.03 0.27 -3.83 -3.82 6.55 -1.88 -3.46 115.95 109.81 2qum h TRP 11 Ca 0.30 -0.20 -0.48 0.00 0.95 0.00 0.00 58.89 59.47 2qum h TRP 11 Cb 0.47 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.74 2qum h TRP 11 CO -0.46 1.37 0.20 0.45 -1.05 0.00 0.00 178.44 178.96 2qum s SER 12 N -6.63 6.93 0.00 -3.49 0.15 -1.07 -4.99 113.70 104.60 2qum s SER 12 Ca -0.12 1.49 0.13 0.00 0.70 0.00 0.00 55.95 58.16 2qum s SER 12 Cb 0.07 -2.46 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 2qum s SER 12 CO 0.81 -0.21 1.05 0.35 1.20 0.00 0.00 173.24 176.44 2qum n THR 13 N -0.21 0.32 -4.54 6.45 -2.24 -1.26 -4.82 114.28 107.98 2qum n THR 13 Ca 0.04 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 60.90 2qum n THR 13 Cb 0.53 1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 69.66 2qum n THR 13 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qum s GLU 14 N -1.09 1.35 0.53 -0.78 0.41 -1.26 -0.59 118.70 117.28 2qum s GLU 14 Ca 0.20 -1.06 0.35 0.00 -0.41 0.00 0.00 54.97 54.05 2qum s GLU 14 Cb 0.12 -1.55 1.66 0.00 -1.78 0.00 0.00 34.13 32.59 2qum s GLU 14 CO 0.18 0.38 2.05 -1.49 -0.49 0.00 0.00 175.26 175.89 2qum h TRP 15 N 4.54 0.00 -3.11 1.61 4.06 -1.93 -3.42 115.95 117.71 2qum h TRP 15 Ca -0.45 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 59.89 2qum h TRP 15 Cb 1.16 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.22 2qum h TRP 15 CO 0.54 0.00 -0.46 1.41 -3.56 0.00 0.00 178.44 176.37 2qum s MET 16 N -3.77 4.00 0.24 0.49 1.75 -1.26 -4.77 119.30 115.98 2qum s MET 16 Ca -0.01 -0.14 -0.10 0.00 -1.25 0.00 0.00 55.69 54.19 2qum s MET 16 Cb 0.10 -3.36 -0.01 0.00 2.84 0.00 0.00 34.83 34.40 2qum s MET 16 CO 0.45 0.42 0.40 0.14 -0.65 0.00 0.00 175.02 175.78 2qum s VAL 17 N -0.01 0.00 -0.67 10.11 -7.23 -1.26 -5.00 120.40 116.33 2qum s VAL 17 Ca 0.11 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 58.46 2qum s VAL 17 Cb -0.12 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.55 2qum s VAL 17 CO 0.01 0.00 1.44 -0.62 -0.31 0.00 0.00 175.10 175.62 2qum s ASP 18 N -3.06 5.95 0.14 4.85 3.68 -1.26 -4.88 116.67 122.09 2qum s ASP 18 Ca 0.27 -0.10 -0.16 0.00 2.13 0.00 0.00 52.55 54.68 2qum s ASP 18 Cb 0.01 -2.55 -0.00 0.00 -1.45 0.00 0.00 42.92 38.93 2qum s ASP 18 CO 0.10 -1.93 1.72 -0.26 0.13 0.00 0.00 175.17 174.93 2qum h PHE 19 N 11.41 0.57 -0.23 -5.34 -1.00 -1.98 -0.69 116.94 119.67 2qum h PHE 19 Ca -0.27 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.48 2qum h PHE 19 Cb 1.09 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 2qum h PHE 19 CO 1.09 0.47 0.14 -1.35 -1.61 0.00 0.00 178.31 177.04 2qum h PRO 20 N 0.51 0.32 -0.81 1.51 0.11 -1.94 -1.22 132.00 130.47 2qum h PRO 20 Ca 0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 2qum h PRO 20 Cb 0.11 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.11 2qum h PRO 20 CO -0.02 0.26 0.51 0.00 -0.21 0.00 0.00 178.00 178.54 2qum h ALA 21 N 1.04 1.36 -0.39 -0.75 0.00 -1.95 -1.57 119.26 117.00 2qum h ALA 21 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2qum h ALA 21 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2qum h ALA 21 CO -0.02 0.56 -0.08 1.15 0.00 0.00 0.00 179.25 180.87 2qum h THR 22 N 1.12 1.27 -0.74 0.00 2.02 -0.84 -1.20 112.91 114.55 2qum h THR 22 Ca 0.29 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 2qum h THR 22 Cb -0.08 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2qum h THR 22 CO -0.06 0.38 0.35 0.00 0.37 0.00 0.00 175.52 176.56 2qum h ALA 23 N 0.84 1.22 -0.44 6.16 0.00 -0.86 -0.12 119.26 126.07 2qum h ALA 23 Ca 0.10 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2qum h ALA 23 Cb 0.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2qum h ALA 23 CO 0.03 0.59 -0.14 0.87 0.00 0.00 0.00 179.25 180.60 2qum h LYS 24 N 1.04 0.88 -0.42 0.00 1.57 -1.11 -0.10 116.57 118.43 2qum h LYS 24 Ca 0.25 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2qum h LYS 24 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2qum h LYS 24 CO -0.03 1.00 0.07 -0.09 -0.57 0.00 0.00 179.45 179.82 2qum h ARG 25 N 0.71 0.69 -0.15 3.15 2.43 -0.83 -0.84 114.38 119.54 2qum h ARG 25 Ca 0.11 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2qum h ARG 25 Cb 0.70 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2qum h ARG 25 CO 0.05 0.73 0.04 0.82 -1.51 0.00 0.00 179.97 180.10 2qum h ILE 26 N 0.54 1.19 -0.18 1.20 2.04 -0.93 -2.45 117.51 118.92 2qum h ILE 26 Ca 0.13 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2qum h ILE 26 Cb 0.38 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2qum h ILE 26 CO 0.01 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.40 2qum h ALA 27 N 0.85 1.77 0.00 1.87 0.00 -0.96 -2.01 119.26 120.77 2qum h ALA 27 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2qum h ALA 27 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qum h ALA 27 CO -0.00 0.19 -0.38 0.78 0.00 0.00 0.00 179.25 179.84 2qum h GLY 28 N 0.39 0.00 2.00 0.00 0.00 -0.82 -2.74 103.07 101.91 2qum h GLY 28 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2qum h GLY 28 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 2qum n LEU 29 N -3.58 0.61 0.00 3.11 4.77 -0.76 -4.90 117.00 116.26 2qum n LEU 29 Ca -0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2qum n LEU 29 Cb 0.50 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2qum n LEU 29 CO 0.37 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2qum n GLY 30 N 1.03 0.94 3.79 -0.72 0.00 -1.03 -4.80 105.19 104.39 2qum n GLY 30 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2qum n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qum s PHE 31 N -2.00 2.99 -0.19 1.61 0.08 -1.18 -4.95 117.98 114.33 2qum s PHE 31 Ca 0.00 1.58 0.22 0.00 0.12 0.00 0.00 56.93 58.85 2qum s PHE 31 Cb 0.00 -3.14 -0.07 0.00 -0.57 0.00 0.00 43.02 39.24 2qum s PHE 31 CO 0.00 -0.96 0.92 -0.25 -0.10 0.00 0.00 175.22 174.84 2qum n ASP 32 N -0.81 0.68 -4.07 1.36 8.00 -0.11 -4.59 116.55 117.01 2qum n ASP 32 Ca 0.09 0.26 -0.08 0.00 0.71 0.00 0.00 54.79 55.77 2qum n ASP 32 Cb 0.51 0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 42.27 2qum n ASP 32 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qum s LEU 33 N -5.20 2.42 -0.04 0.64 2.96 -0.99 -2.21 118.68 116.26 2qum s LEU 33 Ca -0.02 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.04 2qum s LEU 33 Cb 0.10 0.11 0.02 0.00 0.50 0.00 0.00 46.19 46.93 2qum s LEU 33 CO 0.82 -0.48 -0.02 -0.32 -1.32 0.00 0.00 176.35 175.02 2qum s MET 34 N -3.17 0.53 -0.22 1.98 -2.45 -0.45 -2.14 119.30 113.38 2qum s MET 34 Ca 0.01 0.01 -0.06 0.00 -1.25 0.00 0.00 55.69 54.39 2qum s MET 34 Cb 0.02 -0.66 -0.03 0.00 1.25 0.00 0.00 34.83 35.41 2qum s MET 34 CO -0.06 -0.13 0.04 -2.00 1.05 0.00 0.00 175.02 173.92 2qum s GLU 35 N 1.05 3.71 0.07 4.11 2.12 -0.92 -1.74 118.70 127.11 2qum s GLU 35 Ca -0.09 -0.47 0.09 0.00 0.36 0.00 0.00 54.97 54.86 2qum s GLU 35 Cb -0.14 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2qum s GLU 35 CO -0.01 -0.02 -0.24 0.96 -0.54 0.00 0.00 175.26 175.41 2qum s ILE 36 N 1.12 2.36 0.31 -3.70 -4.36 -0.82 -0.56 121.20 115.55 2qum s ILE 36 Ca 0.04 -1.46 -0.25 0.00 -0.26 0.00 0.00 60.65 58.72 2qum s ILE 36 Cb -0.14 -1.98 -0.10 0.00 1.25 0.00 0.00 42.46 41.49 2qum s ILE 36 CO 0.03 0.26 0.90 -0.55 0.24 0.00 0.00 174.94 175.82 2qum s SER 37 N -1.57 7.26 0.00 4.36 0.15 -1.26 -2.08 113.70 120.56 2qum s SER 37 Ca 0.13 1.75 0.26 0.00 0.70 0.00 0.00 55.95 58.79 2qum s SER 37 Cb -0.10 -2.55 0.62 0.00 -1.71 0.00 0.00 66.02 62.28 2qum s SER 37 CO 0.04 -0.06 1.49 0.18 1.20 0.00 0.00 173.24 176.09 2qum n LEU 38 N 0.53 1.95 -0.12 3.45 4.77 -0.89 -4.37 117.00 122.32 2qum n LEU 38 Ca 0.01 -0.65 -0.11 0.00 -0.03 0.00 0.00 56.01 55.24 2qum n LEU 38 Cb 0.50 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 2qum n LEU 38 CO 0.44 0.33 0.56 1.23 -1.33 0.00 0.00 177.39 178.62 2qum h GLY 39 N 4.82 -0.68 0.00 -0.72 0.00 -1.93 0.76 103.07 105.32 2qum h GLY 39 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 47.33 47.88 2qum h GLY 39 CO 0.00 -0.17 -0.31 0.83 0.00 0.00 0.00 176.54 176.89 2qum h GLU 40 N -0.36 0.00 -1.06 4.80 4.39 -1.86 -3.38 114.58 117.11 2qum h GLU 40 Ca 0.12 0.00 0.41 0.00 0.34 0.00 0.00 59.36 60.23 2qum h GLU 40 Cb 0.60 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.08 2qum h GLU 40 CO -0.56 0.40 0.60 0.35 -1.16 0.00 0.00 179.01 178.64 2qum h PHE 41 N -1.00 0.79 -0.14 4.33 3.57 -1.75 0.24 116.94 122.97 2qum h PHE 41 Ca -0.05 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2qum h PHE 41 Cb 0.56 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2qum h PHE 41 CO 0.04 -0.39 0.11 1.25 -2.23 0.00 0.00 178.31 177.09 2qum h HIS 42 N 0.06 0.00 -0.20 0.41 2.76 -1.01 -0.78 115.15 116.39 2qum h HIS 42 Ca 0.83 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 59.00 2qum h HIS 42 Cb 2.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.19 2qum h HIS 42 CO -0.01 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.71 2qum n ASN 43 N -4.38 1.93 -4.78 3.26 3.02 0.84 -4.91 115.26 110.24 2qum n ASN 43 Ca 0.00 -1.76 -0.30 0.00 -0.03 0.00 0.00 54.58 52.49 2qum n ASN 43 Cb 0.23 -0.13 0.09 0.00 -0.61 0.00 0.00 39.78 39.37 2qum n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qum s LEU 44 N -1.54 2.78 0.64 3.41 1.02 -0.30 -5.00 118.68 119.68 2qum s LEU 44 Ca 0.33 1.59 -0.15 0.00 0.02 0.00 0.00 54.13 55.91 2qum s LEU 44 Cb 0.18 -4.24 -0.01 0.00 0.02 0.00 0.00 46.19 42.13 2qum s LEU 44 CO 0.27 -2.03 1.09 -0.94 0.02 0.00 0.00 176.35 174.76 2qum s SER 45 N -3.60 5.31 0.27 2.29 1.04 -1.26 -4.84 113.70 112.91 2qum s SER 45 Ca 0.61 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.98 2qum s SER 45 Cb -0.16 -2.55 0.52 0.00 0.10 0.00 0.00 66.02 63.93 2qum s SER 45 CO 0.56 -1.49 1.81 0.44 0.98 0.00 0.00 173.24 175.53 2qum h ASP 46 N 0.16 0.75 -0.91 7.02 3.45 -1.97 -0.90 116.42 124.02 2qum h ASP 46 Ca -0.47 0.06 0.01 0.00 0.43 0.00 0.00 57.03 57.07 2qum h ASP 46 Cb 1.24 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.88 2qum h ASP 46 CO 0.55 0.38 0.60 0.00 -1.57 0.00 0.00 179.24 179.20 2qum h ALA 47 N 1.53 1.36 0.00 3.45 0.00 -1.99 -1.00 119.26 122.61 2qum h ALA 47 Ca 0.47 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 2qum h ALA 47 Cb 0.52 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qum h ALA 47 CO -0.29 0.59 -0.70 0.87 0.00 0.00 0.00 179.25 179.72 2qum h LYS 48 N 1.22 0.00 -0.21 0.00 1.57 -1.56 -1.81 116.57 115.78 2qum h LYS 48 Ca 0.34 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.02 2qum h LYS 48 Cb -0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2qum h LYS 48 CO -0.08 0.70 -0.25 0.87 -0.57 0.00 0.00 179.45 180.13 2qum h LYS 49 N 0.00 0.54 0.00 3.15 1.57 -0.73 -2.96 116.57 118.14 2qum h LYS 49 Ca -0.01 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2qum h LYS 49 Cb 1.26 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2qum h LYS 49 CO 0.09 0.89 -0.20 0.00 -0.57 0.00 0.00 179.45 179.66 2qum h ARG 50 N 0.22 0.00 -0.18 3.15 3.08 -1.18 -2.88 114.38 116.59 2qum h ARG 50 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2qum h ARG 50 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2qum h ARG 50 CO 0.06 0.20 -0.01 1.49 -1.07 0.00 0.00 179.97 180.65 2qum h GLU 51 N 0.00 0.31 -0.05 0.04 4.81 -1.17 -1.65 114.58 116.87 2qum h GLU 51 Ca -0.00 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2qum h GLU 51 Cb 0.60 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2qum h GLU 51 CO 0.03 0.53 -0.07 1.25 -0.73 0.00 0.00 179.01 180.02 2qum h LEU 52 N 0.06 -0.22 -0.97 1.64 5.85 -1.36 0.03 115.31 120.33 2qum h LEU 52 Ca 0.05 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.93 2qum h LEU 52 Cb 0.40 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 2qum h LEU 52 CO 0.01 -0.11 0.60 0.50 -0.34 0.00 0.00 178.44 179.11 2qum h LYS 53 N -0.11 0.92 0.32 1.25 1.63 -1.45 0.22 116.57 119.35 2qum h LYS 53 Ca 0.05 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2qum h LYS 53 Cb 0.17 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 2qum h LYS 53 CO -0.12 0.61 -0.15 0.00 -3.45 0.00 0.00 179.45 176.34 2qum h ALA 54 N 1.53 -0.43 -0.20 5.00 0.00 -0.52 0.17 119.26 124.80 2qum h ALA 54 Ca 0.48 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2qum h ALA 54 Cb 0.48 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2qum h ALA 54 CO -0.27 -0.62 -0.07 0.28 0.00 0.00 0.00 179.25 178.57 2qum h VAL 55 N -0.67 0.74 -0.06 0.00 2.07 -0.49 0.14 116.25 117.97 2qum h VAL 55 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2qum h VAL 55 Cb 0.47 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2qum h VAL 55 CO 0.07 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.62 2qum h ALA 56 N 1.15 0.01 -0.99 1.67 0.00 -0.57 -0.45 119.26 120.09 2qum h ALA 56 Ca 0.10 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2qum h ALA 56 Cb 0.19 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2qum h ALA 56 CO -0.23 -0.52 0.62 -0.44 0.00 0.00 0.00 179.25 178.68 2qum h ASP 57 N -0.05 0.89 -0.20 0.00 3.45 -0.18 0.18 116.42 120.50 2qum h ASP 57 Ca 0.04 0.05 -0.12 0.00 0.43 0.00 0.00 57.03 57.43 2qum h ASP 57 Cb 0.11 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 2qum h ASP 57 CO -0.10 0.46 -0.29 -0.78 -1.57 0.00 0.00 179.24 176.96 2qum h ASP 58 N 0.95 0.71 0.43 6.45 1.82 0.28 -2.56 116.42 124.49 2qum h ASP 58 Ca 0.49 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2qum h ASP 58 Cb 0.53 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2qum h ASP 58 CO -0.26 0.96 -0.14 0.18 -1.61 0.00 0.00 179.24 178.38 2qum n LEU 59 N -4.08 0.46 -0.18 2.28 7.99 -0.28 -4.88 117.00 118.31 2qum n LEU 59 Ca -0.01 0.04 -0.02 0.00 -0.01 0.00 0.00 56.01 56.01 2qum n LEU 59 Cb 0.46 -0.21 -0.01 0.00 -0.11 0.00 0.00 43.42 43.55 2qum n LEU 59 CO 0.45 0.09 -0.02 0.61 -1.51 0.00 0.00 177.39 177.00 2qum n GLY 60 N 1.32 0.57 3.75 -0.72 0.00 -0.02 -5.01 105.19 105.08 2qum n GLY 60 Ca 0.13 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 2qum n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qum s LEU 61 N -0.53 4.38 0.00 0.99 2.96 0.42 -4.98 118.68 121.92 2qum s LEU 61 Ca 0.00 1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 54.85 2qum s LEU 61 Cb 0.00 -2.94 -0.06 0.00 0.50 0.00 0.00 46.19 43.70 2qum s LEU 61 CO 0.00 0.04 0.55 -0.89 -1.32 0.00 0.00 176.35 174.73 2qum s THR 62 N 0.11 4.91 -0.14 3.68 2.01 -0.94 -4.21 115.64 121.07 2qum s THR 62 Ca 0.32 1.15 0.02 0.00 0.31 0.00 0.00 61.69 63.49 2qum s THR 62 Cb -0.18 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2qum s THR 62 CO 0.17 0.46 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.68 2qum s VAL 63 N -0.43 2.40 0.40 3.82 1.01 -1.26 -1.34 120.40 124.99 2qum s VAL 63 Ca 0.29 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2qum s VAL 63 Cb -0.18 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 2qum s VAL 63 CO 0.16 0.54 0.07 0.00 0.00 0.00 0.00 175.10 175.87 2qum s MET 64 N 0.68 2.07 0.15 2.72 0.23 -0.71 -3.79 119.30 120.65 2qum s MET 64 Ca -0.09 -1.96 0.04 0.00 -1.03 0.00 0.00 55.69 52.65 2qum s MET 64 Cb -0.16 -1.81 -0.04 0.00 -1.53 0.00 0.00 34.83 31.28 2qum s MET 64 CO 0.02 -0.05 -0.09 0.00 -2.03 0.00 0.00 175.02 172.87 2qum s ILE 67 N -3.73 0.00 -0.44 0.00 2.07 -0.51 -2.10 121.20 116.48 2qum s ILE 67 Ca 0.33 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.59 2qum s ILE 67 Cb 0.03 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.74 2qum s ILE 67 CO 0.16 -0.00 0.22 -0.83 -1.91 0.00 0.00 174.94 172.57 2qum s GLY 68 N -1.92 1.87 -0.13 1.50 0.00 -1.26 -1.02 107.32 106.36 2qum s GLY 68 Ca -0.05 -2.71 -0.39 0.00 0.00 0.00 0.00 44.72 41.56 2qum s GLY 68 CO -0.01 1.34 1.56 1.04 0.00 0.00 0.00 173.10 177.04 2qum n LEU 69 N 3.58 2.00 -4.74 0.66 4.77 -1.05 -4.59 117.00 117.64 2qum n LEU 69 Ca 0.06 1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 2qum n LEU 69 Cb 0.35 -1.15 0.10 0.00 -2.33 0.00 0.00 43.42 40.39 2qum n LEU 69 CO 0.26 -0.73 0.71 -0.54 -1.33 0.00 0.00 177.39 175.76 2qum s LYS 70 N 2.20 2.01 0.34 3.23 1.02 -1.26 -1.63 119.74 125.64 2qum s LYS 70 Ca 0.93 1.33 0.10 0.00 0.02 0.00 0.00 55.97 58.35 2qum s LYS 70 Cb -1.04 -1.86 0.85 0.00 -0.52 0.00 0.00 37.83 35.26 2qum s LYS 70 CO 0.58 -1.85 1.79 1.03 -0.92 0.00 0.00 175.35 175.98 2qum h SER 71 N -1.10 0.68 0.07 2.83 0.87 -1.92 0.70 113.55 115.67 2qum h SER 71 Ca -0.44 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2qum h SER 71 Cb 1.25 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2qum h SER 71 CO 0.49 0.23 0.00 -1.84 -0.53 0.00 0.00 176.83 175.18 2qum n GLU 72 N -4.70 0.43 -0.18 2.24 0.28 -1.26 -2.39 120.64 115.05 2qum n GLU 72 Ca 0.23 0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.34 2qum n GLU 72 Cb 0.63 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 32.12 2qum n GLU 72 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2qum n TYR 73 N -1.07 0.00 -1.57 -1.84 0.53 0.23 -4.37 117.16 109.08 2qum n TYR 73 Ca 0.11 -0.86 -0.45 0.00 -1.02 0.00 0.00 57.90 55.68 2qum n TYR 73 Cb 0.07 -0.14 -0.04 0.00 -1.03 0.00 0.00 39.34 38.20 2qum n TYR 73 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 2qum n ASP 74 N -1.17 3.02 0.29 7.72 -0.08 -1.01 -4.40 116.55 120.92 2qum n ASP 74 Ca 0.13 0.25 0.16 0.00 -1.51 0.00 0.00 54.79 53.82 2qum n ASP 74 Cb 0.66 -1.49 0.86 0.00 2.34 0.00 0.00 41.12 43.49 2qum n ASP 74 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2qum h PHE 75 N 14.52 0.00 -0.01 -0.67 -1.00 -1.88 -2.59 116.94 125.30 2qum h PHE 75 Ca -0.38 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.40 2qum h PHE 75 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 2qum h PHE 75 CO 0.94 0.06 -0.60 0.00 -1.61 0.00 0.00 178.31 177.10 2qum n ALA 76 N -2.24 3.85 -1.68 2.45 0.00 -1.26 -3.24 120.51 118.39 2qum n ALA 76 Ca -0.02 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 2qum n ALA 76 Cb 0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 2qum n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qum n SER 77 N -0.51 2.60 0.28 0.00 2.88 -0.97 -4.75 113.62 113.15 2qum n SER 77 Ca 0.08 1.18 0.17 0.00 -1.33 0.00 0.00 58.87 58.98 2qum n SER 77 Cb 0.42 -1.44 0.77 0.00 -0.75 0.00 0.00 64.21 63.20 2qum n SER 77 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2qum h PRO 78 N 3.03 0.00 -6.36 -1.46 0.13 -1.94 -3.42 132.00 121.99 2qum h PRO 78 Ca -0.45 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.11 2qum h PRO 78 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2qum h PRO 78 CO 0.67 0.03 1.01 0.34 -0.23 0.00 0.00 178.00 179.81 2qum s ASP 79 N -5.66 6.59 0.43 1.44 -1.08 -1.26 -4.91 116.67 112.21 2qum s ASP 79 Ca -0.00 1.24 0.10 0.00 -0.52 0.00 0.00 52.55 53.37 2qum s ASP 79 Cb 0.10 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.95 2qum s ASP 79 CO 0.53 -1.14 2.02 0.50 0.52 0.00 0.00 175.17 177.60 2qum h LYS 80 N 9.66 0.30 0.00 4.34 3.11 -1.99 -1.99 116.57 129.99 2qum h LYS 80 Ca -0.27 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 57.41 2qum h LYS 80 Cb 1.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.26 2qum h LYS 80 CO 1.03 0.28 -0.59 0.66 -2.81 0.00 0.00 179.45 178.03 2qum h SER 81 N 0.30 0.00 0.00 4.20 4.64 -1.96 -1.60 113.55 119.13 2qum h SER 81 Ca 0.07 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 2qum h SER 81 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2qum h SER 81 CO -0.00 0.59 -0.74 0.58 -0.87 0.00 0.00 176.83 176.39 2qum h VAL 82 N 0.00 1.32 -0.27 0.95 2.07 -1.69 -2.12 116.25 116.51 2qum h VAL 82 Ca -0.01 -2.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 2qum h VAL 82 Cb 1.08 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2qum h VAL 82 CO 0.08 0.63 -0.04 0.03 0.02 0.00 0.00 177.57 178.28 2qum h ARG 83 N 0.45 0.50 -0.60 1.57 3.08 -1.29 -1.11 114.38 116.98 2qum h ARG 83 Ca -0.04 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 2qum h ARG 83 Cb 1.34 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 2qum h ARG 83 CO 0.14 0.70 0.22 -0.44 -1.07 0.00 0.00 179.97 179.52 2qum h ASP 84 N 0.27 0.81 -0.55 7.04 3.45 -1.33 0.25 116.42 126.36 2qum h ASP 84 Ca 0.07 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.35 2qum h ASP 84 Cb 0.50 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 2qum h ASP 84 CO 0.02 0.74 0.10 0.00 -1.57 0.00 0.00 179.24 178.53 2qum h ALA 85 N 1.38 1.07 0.05 3.45 0.00 -1.18 -0.40 119.26 123.63 2qum h ALA 85 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qum h ALA 85 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qum h ALA 85 CO -0.02 0.60 -0.02 0.78 0.00 0.00 0.00 179.25 180.59 2qum h GLY 86 N 1.02 -0.07 0.79 0.00 0.00 -0.22 -2.09 103.07 102.49 2qum h GLY 86 Ca 0.18 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.59 2qum h GLY 86 CO 0.01 -0.02 0.48 -0.91 0.00 0.00 0.00 176.54 176.09 2qum h THR 87 N -0.57 1.06 -0.65 4.70 1.35 -0.45 0.14 112.91 118.49 2qum h THR 87 Ca -0.01 -0.31 -0.08 0.00 -0.55 0.00 0.00 66.41 65.46 2qum h THR 87 Cb 0.51 0.08 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 2qum h THR 87 CO 0.01 0.17 0.09 -0.33 -0.25 0.00 0.00 175.52 175.20 2qum h GLU 88 N 0.91 1.08 -0.09 4.72 4.39 -1.12 -2.20 114.58 122.27 2qum h GLU 88 Ca 0.33 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2qum h GLU 88 Cb 0.10 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2qum h GLU 88 CO -0.14 1.00 0.04 -0.92 -1.16 0.00 0.00 179.01 177.82 2qum h TYR 89 N 1.01 0.13 -0.16 4.33 5.03 -0.59 -2.85 116.97 123.86 2qum h TYR 89 Ca 0.20 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 2qum h TYR 89 Cb 0.46 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 2qum h TYR 89 CO 0.03 0.23 0.09 0.28 -1.32 0.00 0.00 178.16 177.48 2qum h VAL 90 N -0.00 1.05 -0.57 1.81 2.07 -0.60 -0.58 116.25 119.43 2qum h VAL 90 Ca 0.03 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 2qum h VAL 90 Cb 0.15 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2qum h VAL 90 CO -0.00 0.06 0.08 0.11 0.02 0.00 0.00 177.57 177.83 2qum h LYS 91 N 0.23 0.93 -0.20 1.57 1.57 -1.18 -0.80 116.57 118.68 2qum h LYS 91 Ca 0.06 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 2qum h LYS 91 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2qum h LYS 91 CO -0.01 0.87 -0.43 0.00 -0.57 0.00 0.00 179.45 179.31 2qum h ARG 92 N 0.87 0.48 -0.66 3.15 3.08 -0.93 -2.05 114.38 118.32 2qum h ARG 92 Ca 0.18 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2qum h ARG 92 Cb 0.40 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2qum h ARG 92 CO 0.01 0.82 0.09 -0.07 -1.07 0.00 0.00 179.97 179.76 2qum h LEU 93 N 0.39 1.05 -1.54 3.04 3.38 -0.80 -1.58 115.31 119.26 2qum h LEU 93 Ca 0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2qum h LEU 93 Cb 0.92 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2qum h LEU 93 CO 0.08 1.05 -0.15 -0.07 0.09 0.00 0.00 178.44 179.44 2qum h LEU 94 N 1.02 0.11 0.03 1.67 3.38 -0.88 0.05 115.31 120.68 2qum h LEU 94 Ca 0.20 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qum h LEU 94 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qum h LEU 94 CO 0.02 0.27 -0.01 0.44 0.09 0.00 0.00 178.44 179.24 2qum h ASP 95 N 0.11 -0.03 -0.96 -0.43 3.45 -0.59 -0.04 116.42 117.94 2qum h ASP 95 Ca 0.02 -0.08 0.05 0.00 0.43 0.00 0.00 57.03 57.45 2qum h ASP 95 Cb 0.33 0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 39.05 2qum h ASP 95 CO 0.02 0.05 0.62 0.44 -1.57 0.00 0.00 179.24 178.80 2qum h ASP 96 N -0.12 1.02 -0.11 6.45 3.32 -0.70 -1.21 116.42 125.07 2qum h ASP 96 Ca -0.00 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2qum h ASP 96 Cb 0.11 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2qum h ASP 96 CO 0.01 0.68 -0.10 0.00 -1.72 0.00 0.00 179.24 178.10 2qum h HIS 98 N -0.13 -0.27 -0.92 0.00 -0.00 -0.16 -0.53 115.15 113.14 2qum h HIS 98 Ca 0.08 0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.60 2qum h HIS 98 Cb 0.24 0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.71 2qum h HIS 98 CO -0.22 -0.17 0.54 1.25 -0.00 0.00 0.00 177.93 179.33 2qum h LEU 99 N -0.11 0.75 0.00 0.26 6.46 -0.91 0.43 115.31 122.20 2qum h LEU 99 Ca 0.10 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2qum h LEU 99 Cb 0.26 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2qum h LEU 99 CO -0.24 0.37 0.00 0.18 -0.62 0.00 0.00 178.44 178.13 2qum n LEU 100 N -4.73 0.00 -1.91 2.25 4.77 -0.54 -4.90 117.00 111.93 2qum n LEU 100 Ca 0.18 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.44 2qum n LEU 100 Cb 0.39 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2qum n LEU 100 CO 0.25 -0.03 -0.04 0.61 -1.33 0.00 0.00 177.39 176.85 2qum n GLY 101 N 1.21 -0.11 3.69 -0.72 0.00 0.14 -4.66 105.19 104.74 2qum n GLY 101 Ca 0.09 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2qum n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qum s ALA 102 N -2.89 3.48 0.22 4.61 0.00 -0.60 -4.77 121.76 121.81 2qum s ALA 102 Ca 0.15 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.79 2qum s ALA 102 Cb -0.07 -3.50 0.18 0.00 0.00 0.00 0.00 23.12 19.73 2qum s ALA 102 CO 0.19 -0.73 1.50 -1.00 0.00 0.00 0.00 175.76 175.73 2qum h PRO 103 N 7.39 0.05 -5.64 0.00 0.13 -1.91 -3.44 132.00 128.57 2qum h PRO 103 Ca -0.34 -0.05 -0.48 0.00 -0.87 0.00 0.00 66.00 64.26 2qum h PRO 103 Cb 1.16 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 2qum h PRO 103 CO 0.87 0.76 -0.80 0.08 -0.23 0.00 0.00 178.00 178.68 2qum s VAL 104 N -3.38 1.34 -0.36 1.56 1.01 -1.26 -0.01 120.40 119.28 2qum s VAL 104 Ca -0.01 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.69 2qum s VAL 104 Cb 0.12 -1.23 0.11 0.00 0.00 0.00 0.00 36.38 35.38 2qum s VAL 104 CO 0.79 -0.08 0.12 0.12 0.00 0.00 0.00 175.10 176.05 2qum s PHE 105 N -1.10 2.61 0.36 5.22 5.36 0.92 -2.09 117.98 129.25 2qum s PHE 105 Ca 0.02 -2.44 0.02 0.00 -0.96 0.00 0.00 56.93 53.58 2qum s PHE 105 Cb -0.09 -2.27 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2qum s PHE 105 CO 0.03 -0.87 0.19 0.00 -1.46 0.00 0.00 175.22 173.10 2qum n ALA 106 N 4.24 0.48 0.00 11.12 0.00 0.44 -0.70 120.51 136.10 2qum n ALA 106 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2qum n ALA 106 Cb 0.40 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.52 2qum n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qum n GLY 107 N 0.69 -1.70 3.31 0.00 0.00 -1.26 -1.42 105.19 104.82 2qum n GLY 107 Ca -0.05 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 2qum n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qum n LEU 108 N 0.00 5.55 -0.43 0.99 7.99 -0.19 -2.02 117.00 128.89 2qum n LEU 108 Ca 0.00 -4.05 0.13 0.00 -0.01 0.00 0.00 56.01 52.08 2qum n LEU 108 Cb 0.00 -1.70 0.39 0.00 -0.11 0.00 0.00 43.42 42.00 2qum n LEU 108 CO 0.00 0.50 0.72 0.35 -1.51 0.00 0.00 177.39 177.45 2qum n THR 109 N 5.78 0.00 -0.27 -5.08 -2.24 -1.26 -2.52 114.28 108.69 2qum n THR 109 Ca 0.48 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2qum n THR 109 Cb 0.43 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2qum n THR 109 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2qum n PHE 110 N -0.07 0.00 -3.88 4.78 -1.74 -1.26 -5.00 117.46 110.30 2qum n PHE 110 Ca 0.15 -0.02 -0.09 0.00 -0.56 0.00 0.00 57.45 56.94 2qum n PHE 110 Cb 0.38 -0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.37 2qum n PHE 110 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2qum s ALA 112 N -3.25 3.34 -0.05 0.00 0.00 -1.26 -3.67 121.76 116.86 2qum s ALA 112 Ca 0.16 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.69 2qum s ALA 112 Cb -0.04 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.91 2qum s ALA 112 CO 0.10 0.17 -0.05 -0.46 0.00 0.00 0.00 175.76 175.52 2qum s TRP 113 N -0.92 0.86 0.47 0.00 -0.00 -0.65 -3.89 118.94 114.81 2qum s TRP 113 Ca 0.41 -0.27 -0.04 0.00 -0.00 0.00 0.00 56.10 56.20 2qum s TRP 113 Cb -0.25 -0.76 -0.03 0.00 -0.00 0.00 0.00 33.47 32.43 2qum s TRP 113 CO 0.31 -0.24 0.75 -1.25 -0.00 0.00 0.00 176.95 176.51 2qum s PRO 114 N 1.07 3.41 -0.13 5.86 0.04 -1.26 -4.75 135.00 139.25 2qum s PRO 114 Ca -0.08 0.01 -0.28 0.00 0.04 0.00 0.00 61.00 60.69 2qum s PRO 114 Cb -0.14 -2.43 0.07 0.00 0.04 0.00 0.00 34.50 32.03 2qum s PRO 114 CO -0.01 -0.21 0.68 -1.14 0.04 0.00 0.00 177.00 176.36 2qum s GLN 115 N -4.68 0.96 0.16 4.56 0.74 0.08 -5.00 119.66 116.49 2qum s GLN 115 Ca 0.47 0.51 0.09 0.00 0.05 0.00 0.00 55.36 56.47 2qum s GLN 115 Cb -0.10 0.46 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 2qum s GLN 115 CO 0.43 -0.24 -0.11 -1.12 -0.55 0.00 0.00 175.29 173.70 2qum s SER 116 N -0.63 4.23 0.52 6.67 0.01 -1.26 -3.48 113.70 119.75 2qum s SER 116 Ca -0.07 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 56.43 2qum s SER 116 Cb -0.02 -0.71 -0.08 0.00 0.21 0.00 0.00 66.02 65.42 2qum s SER 116 CO 0.07 0.12 0.96 -2.65 0.41 0.00 0.00 173.24 172.14 2qum n PRO 117 N 0.21 1.09 -1.73 12.44 -0.02 -1.26 -4.87 135.00 140.86 2qum n PRO 117 Ca -0.12 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2qum n PRO 117 Cb 0.55 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 2qum n PRO 117 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qum n PRO 118 N -0.42 2.55 0.30 0.52 -0.02 -1.26 -4.79 135.00 131.88 2qum n PRO 118 Ca 0.11 0.91 0.09 0.00 -2.02 0.00 0.00 63.50 62.59 2qum n PRO 118 Cb 0.44 -2.65 0.42 0.00 -0.02 0.00 0.00 33.50 31.69 2qum n PRO 118 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qum h LEU 119 N 4.42 0.00 -4.67 2.45 3.38 -2.07 0.78 115.31 119.59 2qum h LEU 119 Ca -0.47 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 2qum h LEU 119 Cb 1.24 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.57 2qum h LEU 119 CO 0.77 0.00 -0.74 -0.90 0.09 0.00 0.00 178.44 177.66 2qum n ASP 120 N -2.76 4.53 -4.29 -0.43 3.85 -1.26 -5.01 116.55 111.17 2qum n ASP 120 Ca 0.00 -3.67 -0.38 0.00 -0.71 0.00 0.00 54.79 50.03 2qum n ASP 120 Cb 0.73 -0.48 -0.12 0.00 -1.35 0.00 0.00 41.12 39.89 2qum n ASP 120 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 2qum s MET 121 N -3.51 2.69 -0.15 0.11 1.75 0.26 -4.95 119.30 115.50 2qum s MET 121 Ca 0.47 -1.14 -0.12 0.00 -1.25 0.00 0.00 55.69 53.66 2qum s MET 121 Cb 0.38 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 34.52 2qum s MET 121 CO -0.17 -0.65 -0.20 1.63 -0.65 0.00 0.00 175.02 174.97 2qum n LYS 122 N 4.84 0.47 -4.42 4.11 4.01 -1.26 -4.91 118.16 121.00 2qum n LYS 122 Ca -0.13 0.46 -0.34 0.00 -0.51 0.00 0.00 58.31 57.79 2qum n LYS 122 Cb 0.45 -1.64 -0.11 0.00 -0.51 0.00 0.00 35.03 33.22 2qum n LYS 122 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2qum s ASP 123 N -5.83 4.88 0.00 4.39 3.68 -1.26 -5.00 116.67 117.54 2qum s ASP 123 Ca -0.19 -0.05 0.23 0.00 2.13 0.00 0.00 52.55 54.67 2qum s ASP 123 Cb 0.03 -1.63 0.01 0.00 -1.45 0.00 0.00 42.92 39.87 2qum s ASP 123 CO 0.28 0.24 1.09 2.29 0.13 0.00 0.00 175.17 179.20 2qum n LYS 124 N 3.06 0.94 -0.24 4.34 2.85 -1.26 -4.43 118.16 123.42 2qum n LYS 124 Ca -0.18 -0.77 0.05 0.00 -1.05 0.00 0.00 58.31 56.36 2qum n LYS 124 Cb 0.53 -1.48 0.17 0.00 -0.65 0.00 0.00 35.03 33.59 2qum n LYS 124 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2qum h ARG 125 N 1.87 0.35 -0.57 -1.58 9.65 -1.99 0.76 114.38 122.88 2qum h ARG 125 Ca 0.00 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.91 2qum h ARG 125 Cb 0.69 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 2qum h ARG 125 CO 0.00 0.23 0.38 -1.35 2.80 0.00 0.00 179.97 182.03 2qum h PRO 126 N 0.36 0.54 -0.02 0.20 0.11 -2.00 0.45 132.00 131.64 2qum h PRO 126 Ca 0.40 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.44 2qum h PRO 126 Cb 0.62 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2qum h PRO 126 CO -0.43 0.36 -0.13 1.88 -0.21 0.00 0.00 178.00 179.46 2qum h TYR 127 N 0.56 0.17 -0.89 0.65 -1.99 -1.20 -2.65 116.97 111.62 2qum h TYR 127 Ca 0.24 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 2qum h TYR 127 Cb 0.25 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.91 2qum h TYR 127 CO -0.00 0.79 0.48 0.28 -0.00 0.00 0.00 178.16 179.71 2qum h VAL 128 N -0.50 1.26 -0.49 -2.88 2.07 -0.87 -1.24 116.25 113.60 2qum h VAL 128 Ca -0.01 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2qum h VAL 128 Cb 0.81 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2qum h VAL 128 CO 0.03 0.30 0.20 0.44 0.02 0.00 0.00 177.57 178.55 2qum h ASP 129 N 1.25 0.68 -0.70 0.57 3.45 -0.98 0.79 116.42 121.48 2qum h ASP 129 Ca 0.31 -0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 2qum h ASP 129 Cb 0.04 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 2qum h ASP 129 CO -0.05 0.66 0.27 0.03 -1.57 0.00 0.00 179.24 178.58 2qum h ARG 130 N 0.65 1.05 -0.68 3.56 3.08 -1.19 -1.83 114.38 119.02 2qum h ARG 130 Ca 0.16 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2qum h ARG 130 Cb 0.19 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2qum h ARG 130 CO -0.01 0.87 0.38 0.00 -1.07 0.00 0.00 179.97 180.14 2qum h ALA 131 N 1.12 0.88 -0.96 0.04 0.00 -0.85 -1.35 119.26 118.13 2qum h ALA 131 Ca 0.23 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qum h ALA 131 Cb 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2qum h ALA 131 CO -0.02 0.39 0.64 0.82 0.00 0.00 0.00 179.25 181.08 2qum h ILE 132 N 0.94 1.24 -0.34 0.00 1.08 -0.38 -1.88 117.51 118.16 2qum h ILE 132 Ca 0.24 -0.44 -0.13 0.00 -0.39 0.00 0.00 64.86 64.14 2qum h ILE 132 Cb 0.04 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.60 2qum h ILE 132 CO -0.04 0.24 -0.30 -0.33 -0.69 0.00 0.00 178.15 177.03 2qum h GLU 133 N 1.29 0.72 -0.52 2.37 4.39 -0.77 -1.90 114.58 120.17 2qum h GLU 133 Ca 0.36 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2qum h GLU 133 Cb -0.13 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2qum h GLU 133 CO -0.08 0.93 0.30 0.77 -1.16 0.00 0.00 179.01 179.77 2qum h SER 134 N 0.62 0.63 -0.55 1.42 0.02 -0.81 -0.98 113.55 113.90 2qum h SER 134 Ca 0.07 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2qum h SER 134 Cb 0.81 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2qum h SER 134 CO 0.07 0.51 0.16 0.58 -1.14 0.00 0.00 176.83 177.01 2qum h VAL 135 N 0.69 1.23 0.00 2.27 2.07 -1.21 -1.43 116.25 119.88 2qum h VAL 135 Ca 0.18 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2qum h VAL 135 Cb 0.01 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2qum h VAL 135 CO -0.03 0.32 -0.16 0.03 0.02 0.00 0.00 177.57 177.75 2qum h ARG 136 N 0.88 0.00 0.00 1.57 3.08 -0.59 -0.41 114.38 118.91 2qum h ARG 136 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2qum h ARG 136 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2qum h ARG 136 CO -0.00 0.16 0.00 0.54 -1.07 0.00 0.00 179.97 179.60 2qum n ARG 137 N -3.84 0.21 0.00 0.04 1.74 -0.44 -3.85 116.66 110.51 2qum n ARG 137 Ca -0.02 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2qum n ARG 137 Cb 0.26 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 2qum n ARG 137 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2qum n VAL 138 N -2.18 0.00 0.27 1.55 0.24 -0.86 -4.79 118.33 112.55 2qum n VAL 138 Ca 0.04 -0.26 0.12 0.00 -2.04 0.00 0.00 64.34 62.20 2qum n VAL 138 Cb 0.33 1.32 0.74 0.00 -1.47 0.00 0.00 33.84 34.75 2qum n VAL 138 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2qum h ILE 139 N 0.32 0.64 -0.04 1.34 6.09 -1.20 -2.35 117.51 122.31 2qum h ILE 139 Ca 0.00 -0.42 -0.08 0.00 -1.37 0.00 0.00 64.86 62.99 2qum h ILE 139 Cb 0.16 1.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 2qum h ILE 139 CO 0.00 0.10 -0.37 0.50 -3.07 0.00 0.00 178.15 175.31 2qum h LYS 140 N 0.00 0.08 -0.40 2.19 3.64 -1.86 -1.50 116.57 118.72 2qum h LYS 140 Ca -0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2qum h LYS 140 Cb 0.25 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2qum h LYS 140 CO 0.01 0.44 -0.08 0.28 -2.27 0.00 0.00 179.45 177.84 2qum h VAL 141 N 0.07 1.24 -0.17 2.00 2.07 -1.78 -0.26 116.25 119.43 2qum h VAL 141 Ca 0.01 -1.06 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 2qum h VAL 141 Cb 0.69 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2qum h VAL 141 CO 0.05 0.36 -0.43 0.00 0.02 0.00 0.00 177.57 177.57 2qum h ALA 142 N 1.29 0.28 -0.36 1.67 0.00 -1.48 -2.04 119.26 118.61 2qum h ALA 142 Ca 0.12 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2qum h ALA 142 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2qum h ALA 142 CO 0.03 0.41 0.21 0.93 0.00 0.00 0.00 179.25 180.82 2qum h GLU 143 N 0.25 0.41 -0.03 0.00 5.08 -1.00 0.24 114.58 119.53 2qum h GLU 143 Ca -0.01 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2qum h GLU 143 Cb 1.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2qum h GLU 143 CO 0.09 0.27 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.49 2qum h ASP 144 N 0.42 0.06 0.88 1.42 3.32 -1.08 -2.05 116.42 119.39 2qum h ASP 144 Ca 0.14 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2qum h ASP 144 Cb 0.01 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qum h ASP 144 CO -0.07 0.50 -0.13 -1.22 -1.72 0.00 0.00 179.24 176.59 2qum n TYR 145 N -4.01 0.03 -2.60 4.55 0.53 -0.77 -4.92 117.16 109.97 2qum n TYR 145 Ca -0.02 0.01 -0.12 0.00 -1.02 0.00 0.00 57.90 56.75 2qum n TYR 145 Cb 0.47 -0.45 0.02 0.00 -1.03 0.00 0.00 39.34 38.35 2qum n TYR 145 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qum n GLY 146 N 1.49 -0.00 3.54 2.72 0.00 0.62 -5.01 105.19 108.54 2qum n GLY 146 Ca 0.07 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2qum n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qum s ILE 147 N -2.83 3.72 0.02 -0.61 1.01 0.13 -4.91 121.20 117.73 2qum s ILE 147 Ca 0.14 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 2qum s ILE 147 Cb -0.06 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 2qum s ILE 147 CO 0.17 0.56 1.22 -0.63 0.00 0.00 0.00 174.94 176.26 2qum s ILE 148 N -0.31 4.06 -0.67 2.92 1.01 0.98 -4.44 121.20 124.75 2qum s ILE 148 Ca 0.05 1.46 -0.11 0.00 0.00 0.00 0.00 60.65 62.04 2qum s ILE 148 Cb -0.13 -3.93 0.17 0.00 0.01 0.00 0.00 42.46 38.58 2qum s ILE 148 CO 0.02 0.07 0.58 -0.47 0.00 0.00 0.00 174.94 175.14 2qum s TYR 149 N 1.51 3.54 0.16 3.97 6.14 0.24 -0.05 117.35 132.85 2qum s TYR 149 Ca 0.58 -1.96 -0.19 0.00 0.64 0.00 0.00 57.07 56.14 2qum s TYR 149 Cb -0.28 -3.64 -0.07 0.00 0.42 0.00 0.00 41.96 38.38 2qum s TYR 149 CO 0.27 -0.97 0.65 0.00 0.64 0.00 0.00 175.55 176.14 2qum s ALA 150 N 0.63 3.50 -0.31 3.97 0.00 0.13 -1.54 121.76 128.13 2qum s ALA 150 Ca 0.12 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 2qum s ALA 150 Cb -0.19 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.24 2qum s ALA 150 CO -0.04 0.37 0.06 -0.51 0.00 0.00 0.00 175.76 175.64 2qum s LEU 151 N -1.62 4.05 0.10 0.00 1.43 -0.22 -3.99 118.68 118.42 2qum s LEU 151 Ca 0.37 -1.11 -0.24 0.00 -1.03 0.00 0.00 54.13 52.12 2qum s LEU 151 Cb -0.18 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 2qum s LEU 151 CO 0.21 -0.28 0.73 -0.70 0.23 0.00 0.00 176.35 176.55 2qum s GLU 152 N 1.36 4.48 -0.40 1.70 2.12 -0.86 -0.29 118.70 126.81 2qum s GLU 152 Ca -0.02 1.04 -0.16 0.00 0.36 0.00 0.00 54.97 56.19 2qum s GLU 152 Cb -0.19 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.92 2qum s GLU 152 CO 0.01 0.47 0.39 0.08 -0.54 0.00 0.00 175.26 175.68 2qum s VAL 153 N -0.73 5.14 0.36 3.70 1.01 -0.73 -4.77 120.40 124.39 2qum s VAL 153 Ca 0.35 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2qum s VAL 153 Cb -0.21 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2qum s VAL 153 CO 0.24 -0.34 0.19 0.68 0.00 0.00 0.00 175.10 175.87 2qum s VAL 154 N 2.01 2.91 0.87 2.92 -7.23 -1.25 -4.48 120.40 116.15 2qum s VAL 154 Ca 0.10 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 2qum s VAL 154 Cb -0.17 -3.01 0.12 0.00 0.56 0.00 0.00 36.38 33.88 2qum s VAL 154 CO 0.12 -0.13 1.09 0.54 -0.31 0.00 0.00 175.10 176.42 2qum s ASN 155 N -3.91 3.60 0.66 4.85 2.20 -1.26 -4.37 114.94 116.72 2qum s ASN 155 Ca 0.40 1.68 0.29 0.00 -0.94 0.00 0.00 52.86 54.29 2qum s ASN 155 Cb -0.02 -2.34 1.56 0.00 -2.00 0.00 0.00 41.25 38.45 2qum s ASN 155 CO 0.24 -2.58 1.88 0.08 -2.94 0.00 0.00 177.10 173.77 2qum h ARG 156 N -1.51 0.00 0.00 3.55 0.11 -1.90 -1.60 114.38 113.03 2qum h ARG 156 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2qum h ARG 156 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2qum h ARG 156 CO 0.52 0.00 -0.60 1.19 0.10 0.00 0.00 179.97 181.18 2qum n PHE 157 N -2.90 0.18 -0.02 4.08 3.72 -1.26 -4.18 117.46 117.08 2qum n PHE 157 Ca -0.02 0.05 0.03 0.00 -0.05 0.00 0.00 57.45 57.47 2qum n PHE 157 Cb 0.42 -0.38 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 2qum n PHE 157 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qum n GLU 158 N -1.72 0.80 -3.81 -1.08 1.02 -0.63 -4.75 120.64 110.47 2qum n GLU 158 Ca 0.04 -0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 2qum n GLU 158 Cb 0.37 -1.27 0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2qum n GLU 158 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2qum s GLN 159 N -2.66 2.27 0.00 3.49 -0.44 -1.05 -0.74 119.66 120.54 2qum s GLN 159 Ca -0.04 -1.48 0.00 0.00 -2.50 0.00 0.00 55.36 51.33 2qum s GLN 159 Cb 0.06 0.62 0.00 0.00 -1.64 0.00 0.00 33.01 32.06 2qum s GLN 159 CO 0.46 -1.06 0.00 -2.67 0.50 0.00 0.00 175.29 172.52 2qum n TRP 160 N -0.54 0.00 0.12 1.67 4.27 -1.26 -4.15 117.44 117.56 2qum n TRP 160 Ca -0.09 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.39 2qum n TRP 160 Cb 0.60 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.47 2qum n TRP 160 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2qum h LEU 161 N 0.00 -0.24 -7.10 5.67 3.38 -1.96 -3.41 115.31 111.65 2qum h LEU 161 Ca 0.00 -0.14 -0.55 0.00 0.09 0.00 0.00 57.88 57.29 2qum h LEU 161 Cb 0.00 0.06 -0.40 0.00 0.09 0.00 0.00 40.66 40.41 2qum h LEU 161 CO 0.00 -0.00 -0.76 0.00 0.09 0.00 0.00 178.44 177.76 2qum n ASN 163 N 5.02 1.62 -4.19 0.00 5.03 -1.26 -3.90 115.26 117.58 2qum n ASN 163 Ca -0.05 -1.31 -0.12 0.00 0.87 0.00 0.00 54.58 53.97 2qum n ASN 163 Cb 0.44 0.67 -0.10 0.00 -1.02 0.00 0.00 39.78 39.77 2qum n ASN 163 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 2qum s ASP 164 N -2.62 0.46 0.24 6.41 3.84 -1.26 -4.72 116.67 119.01 2qum s ASP 164 Ca 0.14 -1.28 -0.05 0.00 -0.00 0.00 0.00 52.55 51.36 2qum s ASP 164 Cb 0.17 0.29 0.36 0.00 -1.38 0.00 0.00 42.92 42.36 2qum s ASP 164 CO 0.66 -0.75 1.81 0.00 -0.00 0.00 0.00 175.17 176.90 2qum h ALA 165 N 2.71 1.11 -0.49 2.11 0.00 -1.94 -2.50 119.26 120.27 2qum h ALA 165 Ca -0.36 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2qum h ALA 165 Cb 1.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2qum h ALA 165 CO 0.58 0.09 0.19 -0.22 0.00 0.00 0.00 179.25 179.88 2qum h LYS 166 N 0.77 0.37 -0.37 0.00 3.64 -1.94 0.34 116.57 119.37 2qum h LYS 166 Ca 0.38 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2qum h LYS 166 Cb 0.32 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2qum h LYS 166 CO -0.23 0.24 0.11 0.93 -2.27 0.00 0.00 179.45 178.23 2qum h GLU 167 N 0.38 0.59 -0.16 1.90 5.08 -1.87 -2.04 114.58 118.46 2qum h GLU 167 Ca 0.23 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2qum h GLU 167 Cb 0.23 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2qum h GLU 167 CO -0.22 0.61 -0.18 0.00 -1.00 0.00 0.00 179.01 178.21 2qum h ALA 168 N 0.95 1.39 -0.31 3.43 0.00 -0.99 -1.29 119.26 122.44 2qum h ALA 168 Ca 0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2qum h ALA 168 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qum h ALA 168 CO -0.00 0.42 -0.04 0.82 0.00 0.00 0.00 179.25 180.44 2qum h ILE 169 N 0.25 1.27 -0.49 0.00 2.04 -0.09 -0.48 117.51 120.02 2qum h ILE 169 Ca 0.05 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 2qum h ILE 169 Cb 0.48 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2qum h ILE 169 CO 0.03 0.34 0.04 0.00 0.00 0.00 0.00 178.15 178.56 2qum h ALA 170 N 0.81 1.16 0.07 1.87 0.00 -1.07 0.47 119.26 122.58 2qum h ALA 170 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qum h ALA 170 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qum h ALA 170 CO 0.02 0.55 -0.04 0.35 0.00 0.00 0.00 179.25 180.14 2qum h PHE 171 N 0.74 -0.09 -0.54 0.00 3.04 -1.02 -1.98 116.94 117.09 2qum h PHE 171 Ca 0.15 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 2qum h PHE 171 Cb 0.39 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 2qum h PHE 171 CO 0.02 0.11 0.26 0.00 -2.02 0.00 0.00 178.31 176.68 2qum h ALA 172 N 0.63 1.44 -0.03 2.41 0.00 -0.76 -2.03 119.26 120.91 2qum h ALA 172 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2qum h ALA 172 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qum h ALA 172 CO 0.02 0.45 -0.37 -0.44 0.00 0.00 0.00 179.25 178.90 2qum h ASP 173 N 0.76 0.07 -0.13 0.00 3.32 -0.72 -1.16 116.42 118.57 2qum h ASP 173 Ca 0.19 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2qum h ASP 173 Cb 0.09 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2qum h ASP 173 CO -0.03 0.44 -0.08 0.00 -1.72 0.00 0.00 179.24 177.85 2qum h ALA 174 N 1.57 0.18 -0.53 3.45 0.00 -0.66 -2.78 119.26 120.48 2qum h ALA 174 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qum h ALA 174 Cb 0.69 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2qum h ALA 174 CO 0.05 -0.01 0.34 0.28 0.00 0.00 0.00 179.25 179.91 2qum h VAL 175 N -0.08 1.14 -6.67 0.00 2.07 -1.23 -3.47 116.25 108.01 2qum h VAL 175 Ca 0.03 -0.28 -0.46 0.00 0.82 0.00 0.00 66.70 66.81 2qum h VAL 175 Cb 0.56 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2qum h VAL 175 CO 0.02 0.14 -1.08 -0.67 0.02 0.00 0.00 177.57 176.01 2qum n ASP 176 N -4.45 -5.05 -4.00 0.57 -0.08 -0.46 -4.97 116.55 98.12 2qum n ASP 176 Ca 0.05 -0.81 -0.12 0.00 -1.51 0.00 0.00 54.79 52.40 2qum n ASP 176 Cb 0.06 -1.80 -0.12 0.00 2.34 0.00 0.00 41.12 41.60 2qum n ASP 176 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2qum s SER 177 N -2.76 0.49 0.43 1.67 0.15 -1.26 -5.02 113.70 107.39 2qum s SER 177 Ca 0.06 -0.41 0.30 0.00 0.70 0.00 0.00 55.95 56.60 2qum s SER 177 Cb -0.01 0.04 1.39 0.00 -1.71 0.00 0.00 66.02 65.73 2qum s SER 177 CO 0.89 -0.18 1.90 -0.65 1.20 0.00 0.00 173.24 176.40 2qum h PRO 178 N 4.93 0.00 0.00 5.44 0.11 -1.97 -2.89 132.00 137.63 2qum h PRO 178 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 2qum h PRO 178 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qum h PRO 178 CO 0.43 0.00 -1.83 0.00 -0.21 0.00 0.00 178.00 176.40 2qum n ALA 179 N -1.93 2.65 -2.57 -0.75 0.00 -1.26 -4.89 120.51 111.77 2qum n ALA 179 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 2qum n ALA 179 Cb 0.19 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2qum n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qum s LYS 181 N 3.24 1.88 0.11 0.00 -0.14 -0.59 -4.72 119.74 119.52 2qum s LYS 181 Ca 0.32 -2.10 0.02 0.00 -1.36 0.00 0.00 55.97 52.84 2qum s LYS 181 Cb -0.12 -1.09 -0.04 0.00 -1.68 0.00 0.00 37.83 34.90 2qum s LYS 181 CO 0.20 -0.26 0.24 0.08 -0.76 0.00 0.00 175.35 174.85 2qum s VAL 182 N -3.08 5.30 -0.08 3.17 1.01 0.20 -1.06 120.40 125.86 2qum s VAL 182 Ca 0.28 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2qum s VAL 182 Cb 0.06 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2qum s VAL 182 CO 0.14 0.01 -0.07 -1.58 0.00 0.00 0.00 175.10 173.60 2qum s GLN 183 N -2.90 1.28 0.18 2.72 0.74 0.60 0.13 119.66 122.42 2qum s GLN 183 Ca 0.34 -0.21 0.07 0.00 0.05 0.00 0.00 55.36 55.62 2qum s GLN 183 Cb -0.12 -1.30 -0.04 0.00 1.10 0.00 0.00 33.01 32.66 2qum s GLN 183 CO 0.28 -0.16 0.02 -0.51 -0.55 0.00 0.00 175.29 174.36 2qum s LEU 184 N 1.34 3.37 -0.07 3.68 1.43 -1.18 -1.77 118.68 125.47 2qum s LEU 184 Ca -0.03 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2qum s LEU 184 Cb -0.14 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2qum s LEU 184 CO -0.03 0.07 -0.02 -0.62 0.23 0.00 0.00 176.35 175.99 2qum s ASP 185 N -3.06 1.54 0.39 2.29 -1.08 -1.26 -1.60 116.67 113.88 2qum s ASP 185 Ca 0.28 -0.12 0.14 0.00 -0.52 0.00 0.00 52.55 52.33 2qum s ASP 185 Cb -0.09 -0.49 0.97 0.00 -1.46 0.00 0.00 42.92 41.84 2qum s ASP 185 CO 0.19 -0.16 1.85 0.71 0.52 0.00 0.00 175.17 178.28 2qum h THR 186 N 6.27 0.72 -0.07 1.71 1.35 -1.67 0.45 112.91 121.67 2qum h THR 186 Ca -0.24 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2qum h THR 186 Cb 1.13 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 2qum h THR 186 CO 0.32 0.10 0.03 0.15 -0.25 0.00 0.00 175.52 175.86 2qum h PHE 187 N 0.53 0.10 -0.02 4.73 3.57 -1.80 -0.44 116.94 123.60 2qum h PHE 187 Ca 0.48 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.83 2qum h PHE 187 Cb 1.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2qum h PHE 187 CO -0.00 0.23 -0.67 0.45 -2.23 0.00 0.00 178.31 176.09 2qum h HIS 188 N -0.06 0.12 -0.65 0.41 3.86 -1.56 -3.05 115.15 114.23 2qum h HIS 188 Ca 0.02 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 2qum h HIS 188 Cb 0.17 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 2qum h HIS 188 CO -0.02 0.74 0.18 0.52 0.86 0.00 0.00 177.93 180.21 2qum h MET 189 N 0.06 1.02 -0.16 2.45 2.86 -0.03 -2.07 114.93 119.07 2qum h MET 189 Ca -0.01 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2qum h MET 189 Cb 1.20 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2qum h MET 189 CO 0.09 0.90 0.21 -0.97 1.06 0.00 0.00 176.91 178.21 2qum h ASN 190 N 0.94 0.00 0.04 1.22 -1.24 -0.96 -0.02 115.58 115.57 2qum h ASN 190 Ca 0.21 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.83 2qum h ASN 190 Cb 0.32 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.32 2qum h ASN 190 CO -0.00 0.00 -2.31 -0.38 -1.29 0.00 0.00 177.43 173.44 2qum n ILE 191 N -3.63 1.59 -0.08 2.57 5.41 -1.01 -4.76 119.36 119.44 2qum n ILE 191 Ca 0.01 -0.59 -0.13 0.00 1.00 0.00 0.00 62.75 63.05 2qum n ILE 191 Cb 0.32 -1.54 -0.14 0.00 -0.71 0.00 0.00 39.64 37.57 2qum n ILE 191 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2qum n GLU 192 N -3.37 0.68 -3.06 0.38 -0.58 -0.81 -4.97 120.64 108.90 2qum n GLU 192 Ca -0.42 0.11 -0.40 0.00 -0.42 0.00 0.00 57.16 56.04 2qum n GLU 192 Cb 1.00 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 30.24 2qum n GLU 192 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2qum s GLU 193 N -2.52 4.43 0.36 3.49 0.41 -0.05 -4.95 118.70 119.87 2qum s GLU 193 Ca -0.16 0.92 0.19 0.00 -0.41 0.00 0.00 54.97 55.50 2qum s GLU 193 Cb 0.07 -3.39 0.60 0.00 -1.78 0.00 0.00 34.13 29.63 2qum s GLU 193 CO 0.77 0.22 1.69 0.00 -0.49 0.00 0.00 175.26 177.45 2qum h THR 194 N 4.36 0.86 -2.75 3.63 1.03 -1.93 -3.43 112.91 114.67 2qum h THR 194 Ca -0.43 -1.61 -0.21 0.00 -0.01 0.00 0.00 66.41 64.14 2qum h THR 194 Cb 1.20 2.00 -0.32 0.00 -1.07 0.00 0.00 68.15 69.96 2qum h THR 194 CO 0.72 0.38 -0.53 -0.55 -0.01 0.00 0.00 175.52 175.54 2qum s SER 195 N -6.42 0.40 0.09 0.00 0.15 -1.26 -5.05 113.70 101.61 2qum s SER 195 Ca 0.01 0.52 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 2qum s SER 195 Cb 0.10 0.74 -0.13 0.00 -1.71 0.00 0.00 66.02 65.02 2qum s SER 195 CO 0.69 -0.25 1.62 -0.26 1.20 0.00 0.00 173.24 176.24 2qum h PHE 196 N 8.28 -0.85 -0.15 3.44 -1.00 -1.93 -2.00 116.94 122.72 2qum h PHE 196 Ca -0.15 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.69 2qum h PHE 196 Cb 1.12 0.33 -0.06 0.00 3.61 0.00 0.00 35.95 40.95 2qum h PHE 196 CO 0.33 -0.46 -0.28 -0.09 -1.61 0.00 0.00 178.31 176.20 2qum h ARG 197 N -0.68 -0.33 -0.91 1.51 2.43 -1.95 -0.22 114.38 114.22 2qum h ARG 197 Ca -0.02 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2qum h ARG 197 Cb 0.61 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 2qum h ARG 197 CO -0.05 -0.22 0.56 -0.44 -1.51 0.00 0.00 179.97 178.31 2qum h ASP 198 N -0.34 0.85 -0.56 -3.80 3.32 -1.97 0.19 116.42 114.11 2qum h ASP 198 Ca 0.11 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 2qum h ASP 198 Cb 0.51 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2qum h ASP 198 CO -0.35 0.51 -0.01 0.00 -1.72 0.00 0.00 179.24 177.66 2qum h ALA 199 N 1.46 0.75 -0.23 3.45 0.00 -0.72 -1.45 119.26 122.52 2qum h ALA 199 Ca 0.42 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2qum h ALA 199 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qum h ALA 199 CO -0.22 0.59 -0.51 0.82 0.00 0.00 0.00 179.25 179.93 2qum h ILE 200 N 0.87 1.31 -0.25 0.00 1.08 -0.25 -2.97 117.51 117.29 2qum h ILE 200 Ca 0.16 -1.73 -0.10 0.00 -0.39 0.00 0.00 64.86 62.80 2qum h ILE 200 Cb 0.56 1.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 2qum h ILE 200 CO 0.03 0.55 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.69 2qum h LEU 201 N 0.51 0.51 0.00 1.44 3.38 -0.54 -2.08 115.31 118.51 2qum h LEU 201 Ca 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2qum h LEU 201 Cb 1.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2qum h LEU 201 CO 0.10 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.40 2qum n ALA 202 N -2.49 1.73 -0.22 1.53 0.00 -0.56 -1.95 120.51 118.56 2qum n ALA 202 Ca -0.01 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.46 2qum n ALA 202 Cb 0.42 -1.22 0.23 0.00 0.00 0.00 0.00 19.45 18.89 2qum n ALA 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qum n LYS 204 N 1.09 2.01 -0.79 0.00 4.81 -0.82 -0.87 118.16 123.59 2qum n LYS 204 Ca 0.18 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 2qum n LYS 204 Cb 0.52 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2qum n LYS 204 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qum n GLY 205 N 4.02 0.98 0.10 3.14 0.00 -1.26 -4.77 105.19 107.40 2qum n GLY 205 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 2qum n GLY 205 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qum n LYS 206 N -2.00 1.46 -3.20 1.61 5.02 -0.05 -5.02 118.16 115.98 2qum n LYS 206 Ca 0.00 -1.60 -0.40 0.00 -2.02 0.00 0.00 58.31 54.29 2qum n LYS 206 Cb 0.00 -1.00 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 2qum n LYS 206 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2qum s MET 207 N -1.28 4.05 -0.14 1.97 1.75 -0.88 0.60 119.30 125.36 2qum s MET 207 Ca 0.10 0.35 0.18 0.00 -1.25 0.00 0.00 55.69 55.08 2qum s MET 207 Cb 0.09 -3.66 -0.26 0.00 2.84 0.00 0.00 34.83 33.84 2qum s MET 207 CO 0.01 -0.39 0.17 0.41 -0.65 0.00 0.00 175.02 174.57 2qum n GLY 208 N 4.36 -0.94 3.41 2.11 0.00 0.34 -4.80 105.19 109.67 2qum n GLY 208 Ca -0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2qum n GLY 208 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qum s HIS 209 N -2.73 -0.49 -0.07 1.61 5.65 -1.19 -4.56 115.29 113.51 2qum s HIS 209 Ca -0.09 0.37 -0.04 0.00 0.25 0.00 0.00 55.06 55.56 2qum s HIS 209 Cb 0.08 0.47 0.04 0.00 -1.18 0.00 0.00 32.58 31.98 2qum s HIS 209 CO 0.80 -0.77 0.17 0.12 -0.65 0.00 0.00 174.74 174.41 2qum s PHE 210 N -3.29 -0.20 -0.09 3.88 2.19 -1.07 -3.11 117.98 116.28 2qum s PHE 210 Ca -0.01 0.54 -0.02 0.00 0.33 0.00 0.00 56.93 57.77 2qum s PHE 210 Cb -0.00 -0.04 -0.03 0.00 -1.31 0.00 0.00 43.02 41.63 2qum s PHE 210 CO -0.09 -0.17 -0.01 -1.01 1.83 0.00 0.00 175.22 175.77 2qum s HIS 211 N 1.08 3.12 -0.16 10.12 3.76 -0.63 -0.97 115.29 131.62 2qum s HIS 211 Ca -0.08 0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 2qum s HIS 211 Cb -0.10 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 2qum s HIS 211 CO -0.06 0.39 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.60 2qum s LEU 212 N -0.70 2.75 -0.10 0.89 1.43 0.84 -1.95 118.68 121.84 2qum s LEU 212 Ca 0.11 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2qum s LEU 212 Cb -0.12 -1.64 0.09 0.00 0.03 0.00 0.00 46.19 44.55 2qum s LEU 212 CO 0.02 0.11 0.78 -0.83 0.23 0.00 0.00 176.35 176.66 2qum s GLY 213 N 0.69 -0.48 1.07 -3.19 0.00 -1.26 -0.58 107.32 103.56 2qum s GLY 213 Ca -0.06 1.58 -0.17 0.00 0.00 0.00 0.00 44.72 46.08 2qum s GLY 213 CO 0.02 1.04 1.22 -0.54 0.00 0.00 0.00 173.10 174.84 2qum s GLU 214 N -1.05 -0.17 0.23 2.90 0.41 -0.42 -3.77 118.70 116.83 2qum s GLU 214 Ca -0.08 -0.21 -0.07 0.00 -0.41 0.00 0.00 54.97 54.20 2qum s GLU 214 Cb -0.01 -1.73 0.37 0.00 -1.78 0.00 0.00 34.13 30.98 2qum s GLU 214 CO 0.07 -2.98 1.72 0.00 -0.49 0.00 0.00 175.26 173.57 2qum h ALA 215 N -2.06 0.89 -0.66 5.21 0.00 -1.91 -0.68 119.26 120.06 2qum h ALA 215 Ca -0.45 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2qum h ALA 215 Cb 1.27 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 2qum h ALA 215 CO 0.38 -0.25 0.17 0.27 0.00 0.00 0.00 179.25 179.82 2qum n ASN 216 N -5.05 5.07 -0.50 0.00 0.23 -1.26 -4.93 115.26 108.81 2qum n ASN 216 Ca 0.11 -3.13 -0.07 0.00 -0.53 0.00 0.00 54.58 50.96 2qum n ASN 216 Cb 0.36 -0.72 -0.03 0.00 -2.08 0.00 0.00 39.78 37.32 2qum n ASN 216 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2qum n ARG 217 N 0.06 -0.57 -2.02 -3.83 1.74 -0.26 -4.88 116.66 106.90 2qum n ARG 217 Ca 0.36 0.69 -0.28 0.00 -0.77 0.00 0.00 57.85 57.84 2qum n ARG 217 Cb 1.30 -4.47 0.08 0.00 -1.02 0.00 0.00 32.46 28.35 2qum n ARG 217 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qum s LEU 218 N -1.50 2.68 0.38 0.55 1.43 -1.26 -1.30 118.68 119.67 2qum s LEU 218 Ca 0.00 0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 53.54 2qum s LEU 218 Cb 0.00 -3.30 -0.11 0.00 0.03 0.00 0.00 46.19 42.81 2qum s LEU 218 CO 0.00 -1.71 1.31 -2.65 0.23 0.00 0.00 176.35 173.53 2qum n PRO 219 N -3.12 2.12 -1.76 1.29 -0.02 -1.26 -1.31 135.00 130.94 2qum n PRO 219 Ca 0.08 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 2qum n PRO 219 Cb 0.60 -2.40 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2qum n PRO 219 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qum n PRO 220 N 0.29 2.52 0.00 0.52 -0.04 -1.26 -2.26 135.00 134.77 2qum n PRO 220 Ca 0.05 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 2qum n PRO 220 Cb 0.38 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2qum n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qum n GLY 221 N 0.53 0.82 0.00 0.55 0.00 -1.26 -4.60 105.19 101.24 2qum n GLY 221 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2qum n GLY 221 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qum n GLU 222 N -2.00 0.04 0.00 1.61 1.02 -0.96 -5.01 120.64 115.35 2qum n GLU 222 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2qum n GLU 222 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2qum n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qum n GLY 223 N 1.48 6.33 1.00 0.62 0.00 -1.26 -5.07 105.19 108.30 2qum n GLY 223 Ca 0.04 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.27 2qum n GLY 223 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qum n ARG 224 N 0.00 2.81 -2.11 1.61 1.85 -1.26 -5.02 116.66 114.54 2qum n ARG 224 Ca 0.00 -2.36 -0.37 0.00 -1.00 0.00 0.00 57.85 54.11 2qum n ARG 224 Cb 0.00 -1.42 0.01 0.00 -1.05 0.00 0.00 32.46 30.00 2qum n ARG 224 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qum s LEU 225 N -1.00 3.94 -1.11 2.89 1.43 -1.26 -4.88 118.68 118.69 2qum s LEU 225 Ca 0.36 2.43 -0.19 0.00 -1.03 0.00 0.00 54.13 55.71 2qum s LEU 225 Cb 0.19 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 2qum s LEU 225 CO 0.25 -1.15 2.01 -0.81 0.23 0.00 0.00 176.35 176.88 2qum n PRO 226 N -0.73 2.14 -0.37 1.29 -0.04 -1.26 -4.78 135.00 131.25 2qum n PRO 226 Ca 0.09 -2.32 0.02 0.00 -0.04 0.00 0.00 63.50 61.25 2qum n PRO 226 Cb 0.47 -3.20 0.17 0.00 -0.04 0.00 0.00 33.50 30.90 2qum n PRO 226 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2qum h TRP 227 N 7.43 1.21 -0.11 0.54 4.06 -1.98 -0.71 115.95 126.39 2qum h TRP 227 Ca 0.45 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.45 2qum h TRP 227 Cb 0.71 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 2qum h TRP 227 CO 1.33 0.64 -0.02 -0.44 -3.56 0.00 0.00 178.44 176.39 2qum h ASP 228 N 1.19 -0.09 -0.12 -3.49 3.32 -1.98 0.22 116.42 115.47 2qum h ASP 228 Ca 0.43 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.53 2qum h ASP 228 Cb 0.13 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2qum h ASP 228 CO -0.16 -0.03 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.20 2qum h GLU 229 N 0.01 -0.02 0.69 3.56 4.81 -1.83 0.32 114.58 122.12 2qum h GLU 229 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2qum h GLU 229 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2qum h GLU 229 CO -0.10 -0.01 -0.35 0.82 -0.73 0.00 0.00 179.01 178.63 2qum h ILE 230 N -0.02 0.28 -0.11 2.32 2.04 -0.71 0.09 117.51 121.40 2qum h ILE 230 Ca 0.06 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 2qum h ILE 230 Cb 0.11 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2qum h ILE 230 CO -0.14 0.00 -0.24 -0.26 0.00 0.00 0.00 178.15 177.51 2qum h PHE 231 N -0.96 0.20 -0.66 1.37 -1.00 -0.57 -2.29 116.94 113.03 2qum h PHE 231 Ca -0.09 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.59 2qum h PHE 231 Cb 0.74 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.23 2qum h PHE 231 CO -0.04 0.42 0.14 0.78 -1.61 0.00 0.00 178.31 177.99 2qum h GLY 232 N 0.91 1.15 1.19 -1.45 0.00 -0.09 -1.84 103.07 102.94 2qum h GLY 232 Ca 0.03 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.51 2qum h GLY 232 CO 0.04 0.69 -0.13 0.00 0.00 0.00 0.00 176.54 177.13 2qum h ALA 233 N 1.06 0.82 -0.81 3.60 0.00 -0.60 -1.24 119.26 122.09 2qum h ALA 233 Ca 0.20 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2qum h ALA 233 Cb 0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2qum h ALA 233 CO 0.01 0.65 0.54 -0.07 0.00 0.00 0.00 179.25 180.38 2qum h LEU 234 N 0.84 0.92 -0.50 0.00 3.38 -1.14 -1.03 115.31 117.77 2qum h LEU 234 Ca 0.13 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2qum h LEU 234 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qum h LEU 234 CO 0.05 0.67 -0.54 0.11 0.09 0.00 0.00 178.44 178.81 2qum h LYS 235 N 1.09 0.59 -0.79 1.13 1.57 -0.96 -1.03 116.57 118.18 2qum h LYS 235 Ca 0.30 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2qum h LYS 235 Cb -0.12 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2qum h LYS 235 CO -0.07 0.98 0.34 1.49 -0.57 0.00 0.00 179.45 181.63 2qum h GLU 236 N 0.46 1.17 -0.00 3.15 4.81 -0.06 -0.98 114.58 123.12 2qum h GLU 236 Ca 0.01 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2qum h GLU 236 Cb 1.09 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2qum h GLU 236 CO 0.10 0.93 -0.04 0.44 -0.73 0.00 0.00 179.01 179.72 2qum n ILE 237 N -4.31 0.00 -2.89 2.32 -5.35 -0.51 -4.92 119.36 103.70 2qum n ILE 237 Ca 0.07 -0.08 -0.16 0.00 -0.27 0.00 0.00 62.75 62.31 2qum n ILE 237 Cb 0.17 -0.13 0.03 0.00 -1.74 0.00 0.00 39.64 37.97 2qum n ILE 237 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qum n GLY 238 N 1.15 -0.15 3.67 3.28 0.00 -0.37 -4.54 105.19 108.23 2qum n GLY 238 Ca 0.19 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2qum n GLY 238 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qum s TYR 239 N -3.03 2.60 -0.29 1.61 6.14 -0.45 -4.86 117.35 119.07 2qum s TYR 239 Ca 0.25 0.72 0.05 0.00 0.64 0.00 0.00 57.07 58.73 2qum s TYR 239 Cb -0.11 -3.67 0.12 0.00 0.42 0.00 0.00 41.96 38.72 2qum s TYR 239 CO 0.31 -2.54 1.09 -3.47 0.64 0.00 0.00 175.55 171.59 2qum n ASP 240 N 6.36 2.34 -2.45 4.32 2.03 -1.26 -4.83 116.55 123.06 2qum n ASP 240 Ca 0.15 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.37 2qum n ASP 240 Cb 0.44 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2qum n ASP 240 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qum n GLY 241 N -0.25 -2.18 3.78 0.27 0.00 -1.26 -4.34 105.19 101.22 2qum n GLY 241 Ca 0.05 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 2qum n GLY 241 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qum s THR 242 N -0.95 3.94 -0.10 2.61 -4.23 -1.26 -3.86 115.64 111.79 2qum s THR 242 Ca 0.00 1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 62.02 2qum s THR 242 Cb 0.00 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.06 2qum s THR 242 CO 0.00 0.05 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.48 2qum s ILE 243 N -1.66 0.58 -0.09 2.99 -1.09 -0.34 -2.59 121.20 118.99 2qum s ILE 243 Ca 0.55 -0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.94 2qum s ILE 243 Cb -0.20 -0.73 -0.00 0.00 -1.58 0.00 0.00 42.46 39.95 2qum s ILE 243 CO 0.26 0.24 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.28 2qum s VAL 244 N 1.88 1.99 0.23 2.92 1.01 -0.14 0.44 120.40 128.73 2qum s VAL 244 Ca 0.04 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 2qum s VAL 244 Cb -0.13 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 2qum s VAL 244 CO -0.06 0.55 0.71 0.00 0.00 0.00 0.00 175.10 176.30 2qum s MET 245 N 0.30 4.21 -0.45 2.72 0.23 -0.21 -0.11 119.30 125.99 2qum s MET 245 Ca -0.17 0.82 0.07 0.00 -1.03 0.00 0.00 55.69 55.38 2qum s MET 245 Cb -0.17 -2.84 0.23 0.00 -1.53 0.00 0.00 34.83 30.51 2qum s MET 245 CO 0.08 0.38 0.50 -1.91 -2.03 0.00 0.00 175.02 172.04 2qum n GLU 246 N 0.62 0.88 -2.74 3.16 2.13 0.26 -2.09 120.64 122.86 2qum n GLU 246 Ca -0.02 -3.47 -0.40 0.00 0.66 0.00 0.00 57.16 53.92 2qum n GLU 246 Cb 0.51 -1.53 -0.05 0.00 0.27 0.00 0.00 31.44 30.64 2qum n GLU 246 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2qum s PRO 247 N -1.06 4.80 -0.24 5.31 0.02 -1.26 -4.81 135.00 137.76 2qum s PRO 247 Ca 0.35 1.48 -0.01 0.00 0.02 0.00 0.00 61.00 62.84 2qum s PRO 247 Cb 0.12 -3.31 0.07 0.00 0.02 0.00 0.00 34.50 31.40 2qum s PRO 247 CO -0.12 0.41 0.03 -0.06 -0.33 0.00 0.00 177.00 176.92 2qum s PHE 248 N -0.76 1.70 0.00 6.54 0.08 -0.42 -4.61 117.98 120.51 2qum s PHE 248 Ca 0.43 -1.43 0.00 0.00 0.12 0.00 0.00 56.93 56.05 2qum s PHE 248 Cb -0.25 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2qum s PHE 248 CO 0.31 -0.74 0.07 -1.33 -0.10 0.00 0.00 175.22 173.43 2qum n MET 249 N 4.86 2.69 -4.30 0.44 2.81 -1.26 -4.66 117.12 117.70 2qum n MET 249 Ca -0.08 -0.07 -0.34 0.00 -1.81 0.00 0.00 57.70 55.40 2qum n MET 249 Cb 0.45 -0.40 -0.10 0.00 -0.71 0.00 0.00 33.22 32.46 2qum n MET 249 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2qum s ARG 250 N -0.40 3.42 0.53 0.03 0.52 -1.26 -0.97 118.95 120.81 2qum s ARG 250 Ca 0.00 -0.42 0.09 0.00 -0.52 0.00 0.00 55.73 54.88 2qum s ARG 250 Cb 0.00 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.61 2qum s ARG 250 CO 0.00 0.47 0.71 -1.59 0.02 0.00 0.00 175.30 174.91 2qum s LYS 251 N -0.24 2.45 0.00 3.54 -2.85 -1.26 -4.48 119.74 116.90 2qum s LYS 251 Ca 0.06 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.48 2qum s LYS 251 Cb -0.12 -2.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 2qum s LYS 251 CO 0.02 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.20 2qum n GLY 252 N -2.11 0.66 1.35 0.59 0.00 -1.26 -4.96 105.19 99.46 2qum n GLY 252 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2qum n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qum n GLY 253 N -2.00 3.83 0.28 -0.02 0.00 -1.26 -5.00 105.19 101.03 2qum n GLY 253 Ca 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 2qum n GLY 253 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qum h SER 254 N 0.58 0.57 -0.20 1.61 0.02 -1.67 -0.55 113.55 113.92 2qum h SER 254 Ca -0.14 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.58 2qum h SER 254 Cb 0.48 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2qum h SER 254 CO 0.22 0.65 -0.33 0.58 -1.14 0.00 0.00 176.83 176.81 2qum h VAL 255 N 0.58 1.33 -0.39 2.27 2.07 -1.19 -2.42 116.25 118.49 2qum h VAL 255 Ca 0.12 -1.55 0.06 0.00 0.82 0.00 0.00 66.70 66.15 2qum h VAL 255 Cb 0.37 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 2qum h VAL 255 CO 0.01 0.48 0.07 0.28 0.02 0.00 0.00 177.57 178.43 2qum h SER 256 N 0.24 -0.01 -0.60 0.57 0.02 -1.56 -1.58 113.55 110.63 2qum h SER 256 Ca 0.01 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2qum h SER 256 Cb 0.92 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2qum h SER 256 CO 0.08 0.03 0.16 -0.09 -1.14 0.00 0.00 176.83 175.86 2qum h ARG 257 N 0.20 0.95 -0.49 3.45 2.43 -1.11 -0.01 114.38 119.80 2qum h ARG 257 Ca 0.19 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2qum h ARG 257 Cb 0.23 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2qum h ARG 257 CO -0.26 0.87 0.13 0.00 -1.51 0.00 0.00 179.97 179.20 2qum h ALA 258 N 1.04 1.32 -0.51 2.80 0.00 -1.00 -2.94 119.26 119.97 2qum h ALA 258 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qum h ALA 258 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qum h ALA 258 CO 0.00 0.48 0.00 1.33 0.00 0.00 0.00 179.25 181.06 2qum n VAL 259 N -4.30 0.67 -2.06 0.00 0.24 -0.63 -4.99 118.33 107.25 2qum n VAL 259 Ca 0.03 -0.83 -0.10 0.00 -2.04 0.00 0.00 64.34 61.41 2qum n VAL 259 Cb 0.20 0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 33.36 2qum n VAL 259 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qum n GLY 260 N 1.56 0.13 3.44 7.63 0.00 -0.37 -4.97 105.19 112.61 2qum n GLY 260 Ca 0.21 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 2qum n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qum s VAL 261 N -2.50 4.63 -2.92 1.61 1.01 -0.16 -4.80 120.40 117.27 2qum s VAL 261 Ca 0.00 -1.11 0.24 0.00 0.00 0.00 0.00 61.98 61.12 2qum s VAL 261 Cb 0.00 -4.69 0.24 0.00 0.00 0.00 0.00 36.38 31.93 2qum s VAL 261 CO 0.00 -1.42 1.33 0.79 0.00 0.00 0.00 175.10 175.80 2qum n TRP 262 N 6.83 0.01 -3.87 5.22 5.03 -1.26 -4.40 117.44 124.99 2qum n TRP 262 Ca 0.09 -0.01 -0.09 0.00 3.03 0.00 0.00 57.50 60.53 2qum n TRP 262 Cb 0.47 0.00 -0.08 0.00 -1.03 0.00 0.00 31.31 30.67 2qum n TRP 262 CO 0.00 0.00 0.00 -0.98 -0.03 0.00 0.00 177.69 176.68 2qum s ARG 263 N -1.99 0.79 0.00 -0.99 1.70 -1.26 -5.01 118.95 112.18 2qum s ARG 263 Ca 0.30 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 2qum s ARG 263 Cb 0.20 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.85 2qum s ARG 263 CO 0.30 -0.24 1.31 0.34 -1.08 0.00 0.00 175.30 175.94 2qum s ASP 264 N -2.68 6.94 0.00 -2.89 2.15 -1.26 -4.54 116.67 114.40 2qum s ASP 264 Ca 0.03 2.03 0.13 0.00 0.43 0.00 0.00 52.55 55.16 2qum s ASP 264 Cb 0.04 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2qum s ASP 264 CO -0.09 -0.64 0.75 0.23 -0.17 0.00 0.00 175.17 175.25 2qum n MET 265 N 5.00 1.80 0.00 4.34 2.81 -0.14 -4.50 117.12 126.43 2qum n MET 265 Ca 0.12 -0.75 0.13 0.00 -1.81 0.00 0.00 57.70 55.39 2qum n MET 265 Cb 0.45 -1.18 0.40 0.00 -0.71 0.00 0.00 33.22 32.18 2qum n MET 265 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2qum n SER 266 N -0.10 1.75 -3.22 7.83 3.41 -1.09 -4.94 113.62 117.27 2qum n SER 266 Ca 0.06 -1.52 -0.23 0.00 -0.26 0.00 0.00 58.87 56.92 2qum n SER 266 Cb 0.27 0.04 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 2qum n SER 266 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2qum n ASN 267 N 0.28 -6.18 -1.37 4.04 4.05 -1.26 -1.53 115.26 113.29 2qum n ASN 267 Ca 0.17 -0.39 -0.16 0.00 0.45 0.00 0.00 54.58 54.64 2qum n ASN 267 Cb 0.41 -4.91 -0.05 0.00 1.23 0.00 0.00 39.78 36.46 2qum n ASN 267 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qum n GLY 268 N -1.73 1.12 3.64 8.20 0.00 -1.26 -4.93 105.19 110.23 2qum n GLY 268 Ca -0.06 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 2qum n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qum n ALA 269 N 0.51 0.51 -1.94 4.61 0.00 -0.58 -4.99 120.51 118.62 2qum n ALA 269 Ca -0.17 0.42 -0.28 0.00 0.00 0.00 0.00 53.44 53.41 2qum n ALA 269 Cb 0.55 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 17.88 2qum n ALA 269 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qum s THR 270 N -0.34 2.81 0.24 0.00 -4.23 -1.26 -4.84 115.64 108.02 2qum s THR 270 Ca 0.67 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 2qum s THR 270 Cb -0.69 -3.22 0.21 0.00 1.34 0.00 0.00 72.50 70.13 2qum s THR 270 CO 0.53 -0.26 1.85 0.44 -0.54 0.00 0.00 174.62 176.63 2qum h ASP 271 N -0.66 0.82 -0.49 3.99 3.45 -1.99 -0.03 116.42 121.52 2qum h ASP 271 Ca -0.45 0.02 0.05 0.00 0.43 0.00 0.00 57.03 57.08 2qum h ASP 271 Cb 1.29 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 39.86 2qum h ASP 271 CO 0.63 0.53 0.22 -0.33 -1.57 0.00 0.00 179.24 178.72 2qum h GLU 272 N 0.95 0.42 -0.32 3.56 4.39 -1.99 0.23 114.58 121.82 2qum h GLU 272 Ca 0.37 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.99 2qum h GLU 272 Cb 0.17 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2qum h GLU 272 CO -0.17 0.28 -0.03 0.93 -1.16 0.00 0.00 179.01 178.85 2qum h GLU 273 N 0.43 0.51 -0.14 2.33 5.08 -1.68 -1.67 114.58 119.44 2qum h GLU 273 Ca 0.23 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2qum h GLU 273 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2qum h GLU 273 CO -0.19 0.56 0.06 0.52 -1.00 0.00 0.00 179.01 178.96 2qum h MET 274 N 0.48 0.20 -0.09 2.33 2.86 0.70 -1.23 114.93 120.19 2qum h MET 274 Ca 0.10 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2qum h MET 274 Cb 0.37 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 2qum h MET 274 CO 0.01 0.27 -0.23 -0.44 1.06 0.00 0.00 176.91 177.58 2qum h ASP 275 N 0.09 -0.71 -0.77 1.22 3.32 -0.02 0.09 116.42 119.64 2qum h ASP 275 Ca 0.05 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.25 2qum h ASP 275 Cb 0.13 0.31 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 2qum h ASP 275 CO -0.01 -0.29 0.48 -0.08 -1.72 0.00 0.00 179.24 177.63 2qum h GLU 276 N -0.32 0.88 -0.16 3.56 4.57 -1.20 0.17 114.58 122.08 2qum h GLU 276 Ca 0.09 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2qum h GLU 276 Cb 0.44 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2qum h GLU 276 CO -0.27 0.58 -0.13 0.00 -1.18 0.00 0.00 179.01 178.01 2qum h ARG 277 N 0.90 0.26 -0.28 1.92 3.08 -0.72 -0.04 114.38 119.50 2qum h ARG 277 Ca 0.33 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.13 2qum h ARG 277 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2qum h ARG 277 CO -0.14 0.40 -0.53 0.00 -1.07 0.00 0.00 179.97 178.63 2qum h ALA 278 N 1.62 0.45 -0.10 0.04 0.00 0.70 -1.36 119.26 120.61 2qum h ALA 278 Ca 0.05 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qum h ALA 278 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qum h ALA 278 CO 0.02 0.65 0.06 0.00 0.00 0.00 0.00 179.25 179.98 2qum h ARG 279 N 0.64 0.14 -0.37 0.00 3.08 0.05 0.56 114.38 118.48 2qum h ARG 279 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2qum h ARG 279 Cb 1.14 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2qum h ARG 279 CO 0.12 0.13 0.24 0.00 -1.07 0.00 0.00 179.97 179.39 2qum h ARG 280 N 0.10 0.49 -0.50 0.04 2.47 -1.01 -0.88 114.38 115.09 2qum h ARG 280 Ca 0.04 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2qum h ARG 280 Cb 0.03 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 2qum h ARG 280 CO -0.01 0.33 0.32 1.03 0.56 0.00 0.00 179.97 182.20 2qum h SER 281 N 0.50 0.55 -0.63 7.04 0.87 -1.02 0.12 113.55 120.98 2qum h SER 281 Ca 0.14 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2qum h SER 281 Cb -0.05 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2qum h SER 281 CO -0.03 0.39 0.41 0.25 -0.53 0.00 0.00 176.83 177.33 2qum h LEU 282 N 0.66 0.73 -0.47 2.23 5.85 -0.56 0.77 115.31 124.52 2qum h LEU 282 Ca 0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2qum h LEU 282 Cb -0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2qum h LEU 282 CO -0.06 0.53 0.31 -0.61 -0.34 0.00 0.00 178.44 178.27 2qum h GLN 283 N 0.85 0.62 -0.16 1.25 4.15 -0.65 0.20 115.11 121.37 2qum h GLN 283 Ca 0.23 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.65 2qum h GLN 283 Cb -0.09 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.42 2qum h GLN 283 CO -0.05 0.42 -0.10 0.35 -1.93 0.00 0.00 178.83 177.52 2qum h PHE 284 N 0.64 -0.24 -0.18 3.99 3.57 -0.07 -0.40 116.94 124.23 2qum h PHE 284 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2qum h PHE 284 Cb -0.06 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2qum h PHE 284 CO -0.04 -0.16 0.07 0.28 -2.23 0.00 0.00 178.31 176.23 2qum h VAL 285 N -0.10 1.17 -0.87 1.41 2.07 -0.39 -2.13 116.25 117.42 2qum h VAL 285 Ca 0.10 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2qum h VAL 285 Cb 0.24 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2qum h VAL 285 CO -0.22 0.16 0.57 0.03 0.02 0.00 0.00 177.57 178.13 2qum h ARG 286 N 0.14 1.04 -0.39 1.57 3.08 -0.38 -0.91 114.38 118.53 2qum h ARG 286 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qum h ARG 286 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2qum h ARG 286 CO -0.00 0.69 0.18 0.22 -1.07 0.00 0.00 179.97 179.99 2qum h ASP 287 N 1.07 0.51 -0.15 7.04 3.58 -0.83 -1.01 116.42 126.63 2qum h ASP 287 Ca 0.35 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 2qum h ASP 287 Cb 0.05 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2qum h ASP 287 CO -0.11 0.50 -0.01 0.11 -2.88 0.00 0.00 179.24 176.85 2qum h LYS 288 N 0.48 0.39 0.00 0.28 1.79 -0.77 -2.16 116.57 116.58 2qum h LYS 288 Ca 0.13 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2qum h LYS 288 Cb 0.12 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2qum h LYS 288 CO -0.02 0.42 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.49 2qum h LEU 289 N 0.38 0.00 -0.40 2.94 4.07 -0.71 -3.48 115.31 118.11 2qum h LEU 289 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2qum h LEU 289 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2qum h LEU 289 CO 0.01 0.21 0.00 0.00 -1.08 0.00 0.00 178.44 177.58