#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 6.55 -0.12 7.83 0.01 -1.26 -4.89 114.94 123.05 2qum s ASN 2 Ca 0.00 2.53 -0.29 0.00 -0.71 0.00 0.00 52.86 54.38 2qum s ASN 2 Cb 0.00 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 2qum s ASN 2 CO 0.00 -0.96 1.03 -0.54 -1.51 0.00 0.00 177.10 175.12 2qum s LYS 3 N 3.43 4.39 -0.16 -0.60 1.02 -1.25 -4.94 119.74 121.62 2qum s LYS 3 Ca 0.79 1.41 -0.06 0.00 0.02 0.00 0.00 55.97 58.13 2qum s LYS 3 Cb -0.40 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 2qum s LYS 3 CO 0.35 -0.38 0.03 0.08 -0.92 0.00 0.00 175.35 174.51 2qum s VAL 4 N 2.24 4.52 0.33 3.17 1.01 -1.26 -1.37 120.40 129.03 2qum s VAL 4 Ca 0.48 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2qum s VAL 4 Cb -0.18 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2qum s VAL 4 CO 0.16 0.49 0.13 -0.83 0.00 0.00 0.00 175.10 175.05 2qum s GLY 5 N 0.17 2.18 -0.08 4.51 0.00 0.13 -1.58 107.32 112.65 2qum s GLY 5 Ca 0.03 -1.68 0.04 0.00 0.00 0.00 0.00 44.72 43.11 2qum s GLY 5 CO 0.01 -1.69 -0.21 -0.29 0.00 0.00 0.00 173.10 170.92 2qum s MET 6 N -3.82 2.80 0.31 2.90 -2.45 -0.96 -1.48 119.30 116.61 2qum s MET 6 Ca 0.33 -0.82 -0.29 0.00 -1.25 0.00 0.00 55.69 53.66 2qum s MET 6 Cb 0.05 -2.32 -0.10 0.00 1.25 0.00 0.00 34.83 33.71 2qum s MET 6 CO 0.16 0.35 1.40 0.12 1.05 0.00 0.00 175.02 178.10 2qum s PHE 7 N -0.06 2.94 0.63 4.11 5.36 -0.85 -3.01 117.98 127.09 2qum s PHE 7 Ca -0.05 1.22 0.35 0.00 -0.96 0.00 0.00 56.93 57.48 2qum s PHE 7 Cb -0.14 -3.81 2.00 0.00 -0.34 0.00 0.00 43.02 40.73 2qum s PHE 7 CO 0.04 -2.41 2.24 0.10 -1.46 0.00 0.00 175.22 173.73 2qum h TYR 8 N 3.90 0.00 -0.45 10.12 -0.00 -1.26 -2.83 116.97 126.45 2qum h TYR 8 Ca -0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.15 2qum h TYR 8 Cb 1.23 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.90 2qum h TYR 8 CO 0.57 0.00 0.12 0.25 -0.00 0.00 0.00 178.16 179.10 2qum n THR 9 N -3.47 1.98 -0.20 -0.90 -2.24 -1.26 -4.58 114.28 103.62 2qum n THR 9 Ca -0.02 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 2qum n THR 9 Cb 0.16 -0.45 0.09 0.00 -2.10 0.00 0.00 70.33 68.03 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 2.03 -0.08 0.00 4.78 -0.00 -1.77 -2.81 116.97 119.13 2qum h TYR 10 Ca 0.12 0.05 -0.25 0.00 -0.00 0.00 0.00 58.73 58.64 2qum h TYR 10 Cb 1.69 0.13 -0.05 0.00 -0.00 0.00 0.00 36.73 38.50 2qum h TYR 10 CO 0.81 -0.17 -1.80 0.91 -0.00 0.00 0.00 178.16 177.91 2qum n TRP 11 N -5.29 0.69 -2.84 -3.82 8.01 -1.26 -4.77 117.44 108.15 2qum n TRP 11 Ca 0.08 0.24 -0.32 0.00 -1.31 0.00 0.00 57.50 56.19 2qum n TRP 11 Cb 0.33 -1.07 -0.05 0.00 -2.01 0.00 0.00 31.31 28.52 2qum n TRP 11 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2qum s SER 12 N -5.75 6.72 0.00 -0.99 0.15 -1.06 -4.98 113.70 107.80 2qum s SER 12 Ca -0.06 1.41 0.12 0.00 0.70 0.00 0.00 55.95 58.12 2qum s SER 12 Cb 0.08 -2.43 0.11 0.00 -1.71 0.00 0.00 66.02 62.07 2qum s SER 12 CO 0.83 -0.37 0.90 0.35 1.20 0.00 0.00 173.24 176.15 2qum n THR 13 N -0.90 0.05 -4.33 6.45 -2.24 -1.26 -4.85 114.28 107.20 2qum n THR 13 Ca 0.05 -0.53 -0.26 0.00 -2.27 0.00 0.00 64.05 61.04 2qum n THR 13 Cb 0.54 1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 69.85 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 -1.01 1.24 0.47 -0.78 0.41 -1.26 -1.38 118.70 116.39 2qum s GLU 14 Ca 0.15 -1.25 0.23 0.00 -0.41 0.00 0.00 54.97 53.68 2qum s GLU 14 Cb 0.10 -1.59 1.15 0.00 -1.78 0.00 0.00 34.13 32.01 2qum s GLU 14 CO 0.15 0.37 1.96 -1.49 -0.49 0.00 0.00 175.26 175.76 2qum h TRP 15 N 3.95 0.00 -2.98 1.61 4.06 -1.94 -3.42 115.95 117.22 2qum h TRP 15 Ca -0.48 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 59.86 2qum h TRP 15 Cb 1.18 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.28 2qum h TRP 15 CO 0.61 0.20 -0.24 1.41 -3.56 0.00 0.00 178.44 176.87 2qum s MET 16 N -4.10 3.88 0.33 0.49 1.75 -1.26 -4.84 119.30 115.55 2qum s MET 16 Ca -0.02 0.34 -0.01 0.00 -1.25 0.00 0.00 55.69 54.75 2qum s MET 16 Cb 0.13 -3.23 -0.00 0.00 2.84 0.00 0.00 34.83 34.57 2qum s MET 16 CO 0.63 0.68 0.43 0.14 -0.65 0.00 0.00 175.02 176.25 2qum s VAL 17 N -1.00 0.00 -0.92 10.11 -7.23 -1.26 -4.99 120.40 115.11 2qum s VAL 17 Ca 0.23 -1.67 -0.20 0.00 -1.81 0.00 0.00 61.98 58.53 2qum s VAL 17 Cb -0.16 -2.59 0.10 0.00 0.56 0.00 0.00 36.38 34.29 2qum s VAL 17 CO 0.12 0.00 1.19 -0.62 -0.31 0.00 0.00 175.10 175.48 2qum s ASP 18 N -3.24 6.54 0.20 4.85 3.68 -1.26 -4.88 116.67 122.56 2qum s ASP 18 Ca 0.32 -1.77 -0.10 0.00 2.13 0.00 0.00 52.55 53.13 2qum s ASP 18 Cb 0.00 -2.44 0.25 0.00 -1.45 0.00 0.00 42.92 39.28 2qum s ASP 18 CO 0.21 -1.22 1.74 -0.26 0.13 0.00 0.00 175.17 175.76 2qum h PHE 19 N 9.16 0.35 -0.37 -5.34 -1.00 -1.98 0.11 116.94 117.86 2qum h PHE 19 Ca 0.11 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.94 2qum h PHE 19 Cb 1.03 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.49 2qum h PHE 19 CO 1.17 0.08 0.21 -1.35 -1.61 0.00 0.00 178.31 176.82 2qum h PRO 20 N 0.37 0.42 -0.49 1.51 0.11 -1.94 -0.00 132.00 131.98 2qum h PRO 20 Ca 0.29 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 2qum h PRO 20 Cb 0.35 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 2qum h PRO 20 CO -0.30 0.28 0.03 0.00 -0.21 0.00 0.00 178.00 177.80 2qum h ALA 21 N 1.17 1.13 -0.29 -0.75 0.00 -1.85 -1.99 119.26 116.67 2qum h ALA 21 Ca 0.15 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2qum h ALA 21 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qum h ALA 21 CO -0.07 0.56 -0.36 1.15 0.00 0.00 0.00 179.25 180.53 2qum h THR 22 N 0.75 1.29 -0.35 0.00 2.02 -0.37 -1.50 112.91 114.75 2qum h THR 22 Ca 0.15 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 2qum h THR 22 Cb 0.42 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2qum h THR 22 CO 0.02 0.49 0.09 0.00 0.37 0.00 0.00 175.52 176.48 2qum h ALA 23 N 1.05 0.47 -0.66 6.16 0.00 -0.71 -0.57 119.26 124.99 2qum h ALA 23 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qum h ALA 23 Cb 0.88 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2qum h ALA 23 CO 0.08 0.13 0.28 0.87 0.00 0.00 0.00 179.25 180.61 2qum h LYS 24 N 0.42 0.97 -0.34 0.00 1.57 -1.25 0.25 116.57 118.19 2qum h LYS 24 Ca 0.11 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2qum h LYS 24 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2qum h LYS 24 CO 0.00 0.80 0.08 -0.09 -0.57 0.00 0.00 179.45 179.67 2qum h ARG 25 N 0.92 0.55 -0.28 3.15 2.43 -1.10 0.18 114.38 120.22 2qum h ARG 25 Ca 0.22 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2qum h ARG 25 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2qum h ARG 25 CO -0.02 0.60 -0.01 0.82 -1.51 0.00 0.00 179.97 179.85 2qum h ILE 26 N 0.40 1.26 -0.65 1.20 2.04 -0.90 -2.49 117.51 118.37 2qum h ILE 26 Ca 0.11 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2qum h ILE 26 Cb 0.30 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2qum h ILE 26 CO 0.00 0.31 0.32 0.00 0.00 0.00 0.00 178.15 178.78 2qum h ALA 27 N 0.82 1.34 0.00 1.87 0.00 -0.42 -2.05 119.26 120.81 2qum h ALA 27 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2qum h ALA 27 Cb 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qum h ALA 27 CO 0.02 0.52 -0.10 0.78 0.00 0.00 0.00 179.25 180.47 2qum h GLY 28 N 0.99 0.00 0.25 0.00 0.00 -0.36 -1.89 103.07 102.06 2qum h GLY 28 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2qum h GLY 28 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.55 2qum n LEU 29 N -4.40 0.62 0.00 3.11 4.77 -0.78 -4.91 117.00 115.42 2qum n LEU 29 Ca -0.03 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2qum n LEU 29 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2qum n LEU 29 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2qum n GLY 30 N 1.01 0.76 3.80 -0.72 0.00 -0.71 -4.86 105.19 104.48 2qum n GLY 30 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.19 3.19 -0.14 1.61 0.08 -1.20 -4.96 117.98 114.37 2qum s PHE 31 Ca 0.00 1.61 0.19 0.00 0.12 0.00 0.00 56.93 58.85 2qum s PHE 31 Cb 0.00 -2.97 -0.14 0.00 -0.57 0.00 0.00 43.02 39.34 2qum s PHE 31 CO 0.00 -0.45 0.77 -0.25 -0.10 0.00 0.00 175.22 175.18 2qum n ASP 32 N -0.67 0.67 -4.15 1.36 8.00 -0.62 -4.60 116.55 116.54 2qum n ASP 32 Ca 0.08 0.28 -0.15 0.00 0.71 0.00 0.00 54.79 55.71 2qum n ASP 32 Cb 0.53 0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 42.06 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 -5.48 2.33 -0.07 0.64 2.96 -1.10 -1.71 118.68 116.25 2qum s LEU 33 Ca -0.04 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.17 2qum s LEU 33 Cb 0.09 -0.35 0.03 0.00 0.50 0.00 0.00 46.19 46.46 2qum s LEU 33 CO 0.82 -0.19 -0.02 -0.32 -1.32 0.00 0.00 176.35 175.32 2qum s MET 34 N -2.20 0.83 -0.22 1.98 -2.45 0.49 -2.25 119.30 115.47 2qum s MET 34 Ca -0.00 -0.01 -0.10 0.00 -1.25 0.00 0.00 55.69 54.33 2qum s MET 34 Cb -0.07 -1.06 -0.05 0.00 1.25 0.00 0.00 34.83 34.91 2qum s MET 34 CO 0.01 -0.25 0.14 -2.00 1.05 0.00 0.00 175.02 173.97 2qum s GLU 35 N 1.69 4.08 0.16 4.11 2.12 -1.16 -1.20 118.70 128.49 2qum s GLU 35 Ca 0.01 -0.27 0.11 0.00 0.36 0.00 0.00 54.97 55.19 2qum s GLU 35 Cb -0.13 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 2qum s GLU 35 CO -0.05 0.15 -0.25 0.96 -0.54 0.00 0.00 175.26 175.53 2qum s ILE 36 N 0.80 2.34 0.22 -3.70 -4.36 -0.27 -0.66 121.20 115.56 2qum s ILE 36 Ca 0.07 -1.88 -0.17 0.00 -0.26 0.00 0.00 60.65 58.41 2qum s ILE 36 Cb -0.13 -2.08 -0.08 0.00 1.25 0.00 0.00 42.46 41.42 2qum s ILE 36 CO 0.02 -0.01 0.67 -0.55 0.24 0.00 0.00 174.94 175.31 2qum s SER 37 N -2.36 6.94 0.00 4.36 0.15 -1.26 -1.67 113.70 119.86 2qum s SER 37 Ca 0.17 1.29 0.24 0.00 0.70 0.00 0.00 55.95 58.36 2qum s SER 37 Cb -0.09 -2.37 0.29 0.00 -1.71 0.00 0.00 66.02 62.14 2qum s SER 37 CO 0.08 0.02 1.32 0.18 1.20 0.00 0.00 173.24 176.04 2qum n LEU 38 N 0.57 3.17 0.06 3.45 4.77 -0.73 -4.39 117.00 123.90 2qum n LEU 38 Ca -0.02 -1.18 -0.14 0.00 -0.03 0.00 0.00 56.01 54.63 2qum n LEU 38 Cb 0.52 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 2qum n LEU 38 CO 0.43 0.59 0.56 1.23 -1.33 0.00 0.00 177.39 178.87 2qum h GLY 39 N 4.65 -0.90 0.58 -0.72 0.00 -1.94 -1.19 103.07 103.55 2qum h GLY 39 Ca 0.00 0.56 -0.35 0.00 0.00 0.00 0.00 47.33 47.54 2qum h GLY 39 CO 0.00 -0.24 -2.02 1.18 0.00 0.00 0.00 176.54 175.46 2qum n GLU 40 N -5.46 0.71 -0.22 4.80 1.02 -1.26 -4.20 120.64 116.03 2qum n GLU 40 Ca -0.06 0.24 0.19 0.00 -0.02 0.00 0.00 57.16 57.50 2qum n GLU 40 Cb 0.38 -1.69 0.52 0.00 -0.02 0.00 0.00 31.44 30.63 2qum n GLU 40 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2qum h PHE 41 N 0.04 0.50 -0.03 -0.32 3.57 -1.76 -1.48 116.94 117.45 2qum h PHE 41 Ca -0.42 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.10 2qum h PHE 41 Cb 2.03 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.61 2qum h PHE 41 CO 0.05 0.14 0.03 1.25 -2.23 0.00 0.00 178.31 177.55 2qum h HIS 42 N 0.38 0.00 -0.19 0.41 2.76 -1.38 -1.84 115.15 115.30 2qum h HIS 42 Ca 0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.61 2qum h HIS 42 Cb 1.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2qum h HIS 42 CO -0.00 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.72 2qum n ASN 43 N -4.17 1.82 -4.83 3.26 3.02 -0.56 -4.89 115.26 108.91 2qum n ASN 43 Ca -0.02 -1.75 -0.32 0.00 -0.03 0.00 0.00 54.58 52.46 2qum n ASN 43 Cb 0.12 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 3.57 0.94 3.41 1.02 -0.69 -5.02 118.68 120.37 2qum s LEU 44 Ca 0.32 1.62 -0.10 0.00 0.02 0.00 0.00 54.13 55.99 2qum s LEU 44 Cb 0.18 -4.51 0.16 0.00 0.02 0.00 0.00 46.19 42.03 2qum s LEU 44 CO 0.26 -0.75 1.13 -0.94 0.02 0.00 0.00 176.35 176.07 2qum s SER 45 N -3.07 2.71 0.36 2.29 1.04 -1.26 -4.82 113.70 110.95 2qum s SER 45 Ca 0.60 2.10 0.07 0.00 0.48 0.00 0.00 55.95 59.20 2qum s SER 45 Cb -0.12 -2.54 0.68 0.00 0.10 0.00 0.00 66.02 64.15 2qum s SER 45 CO 0.34 -3.22 1.88 0.44 0.98 0.00 0.00 173.24 173.66 2qum h ASP 46 N -1.95 0.35 -0.37 7.02 3.45 -1.96 -2.33 116.42 120.62 2qum h ASP 46 Ca -0.45 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 56.93 2qum h ASP 46 Cb 1.28 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.94 2qum h ASP 46 CO 0.43 0.48 0.20 0.00 -1.57 0.00 0.00 179.24 178.78 2qum h ALA 47 N 1.56 0.48 -0.08 3.45 0.00 -1.99 -1.01 119.26 121.67 2qum h ALA 47 Ca 0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2qum h ALA 47 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qum h ALA 47 CO 0.02 0.01 -0.49 0.87 0.00 0.00 0.00 179.25 179.65 2qum h LYS 48 N 0.47 0.20 -0.07 0.00 1.57 -1.85 0.32 116.57 117.21 2qum h LYS 48 Ca 0.13 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2qum h LYS 48 Cb 0.06 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qum h LYS 48 CO -0.02 0.65 0.03 0.87 -0.57 0.00 0.00 179.45 180.41 2qum h LYS 49 N 0.16 0.10 -0.64 3.15 1.57 -1.11 -1.52 116.57 118.28 2qum h LYS 49 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qum h LYS 49 Cb 0.93 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2qum h LYS 49 CO 0.07 0.23 0.40 0.00 -0.57 0.00 0.00 179.45 179.59 2qum h ARG 50 N -0.06 0.86 -0.78 3.15 3.08 -0.98 -1.93 114.38 117.72 2qum h ARG 50 Ca 0.02 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2qum h ARG 50 Cb 0.17 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2qum h ARG 50 CO -0.00 0.59 0.51 1.49 -1.07 0.00 0.00 179.97 181.49 2qum h GLU 51 N 0.88 1.03 -0.35 0.04 4.81 -0.45 -0.44 114.58 120.09 2qum h GLU 51 Ca 0.23 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2qum h GLU 51 Cb -0.06 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 2qum h GLU 51 CO -0.05 0.68 0.14 1.25 -0.73 0.00 0.00 179.01 180.31 2qum h LEU 52 N 1.05 0.49 -0.47 1.64 5.85 -0.52 -1.38 115.31 121.97 2qum h LEU 52 Ca 0.28 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2qum h LEU 52 Cb -0.11 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2qum h LEU 52 CO -0.06 0.52 0.24 0.50 -0.34 0.00 0.00 178.44 179.30 2qum h LYS 53 N 0.42 0.46 -0.23 1.25 1.63 -1.04 0.25 116.57 119.31 2qum h LYS 53 Ca 0.12 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 2qum h LYS 53 Cb 0.18 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2qum h LYS 53 CO -0.01 0.30 0.05 0.00 -3.45 0.00 0.00 179.45 176.34 2qum h ALA 54 N 1.26 0.23 -0.31 5.00 0.00 -0.86 0.80 119.26 125.38 2qum h ALA 54 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2qum h ALA 54 Cb 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qum h ALA 54 CO -0.15 -0.38 0.09 0.28 0.00 0.00 0.00 179.25 179.09 2qum h VAL 55 N 0.14 1.21 0.02 0.00 2.07 -0.77 -1.61 116.25 117.31 2qum h VAL 55 Ca 0.10 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2qum h VAL 55 Cb 0.10 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2qum h VAL 55 CO -0.13 0.23 -0.18 0.00 0.02 0.00 0.00 177.57 177.51 2qum h ALA 56 N 0.92 -0.24 -0.73 1.67 0.00 -0.26 -2.20 119.26 118.42 2qum h ALA 56 Ca 0.10 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2qum h ALA 56 Cb 0.27 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2qum h ALA 56 CO -0.00 -0.68 0.40 -0.44 0.00 0.00 0.00 179.25 178.53 2qum h ASP 57 N -0.31 0.57 0.41 0.00 3.45 -0.72 -0.08 116.42 119.73 2qum h ASP 57 Ca 0.05 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 2qum h ASP 57 Cb 0.37 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2qum h ASP 57 CO -0.16 0.34 -0.09 -0.78 -1.57 0.00 0.00 179.24 176.98 2qum h ASP 58 N 0.70 0.00 0.11 6.45 1.82 -0.87 -2.00 116.42 122.63 2qum h ASP 58 Ca 0.34 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 2qum h ASP 58 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2qum h ASP 58 CO -0.23 0.09 -0.54 0.18 -1.61 0.00 0.00 179.24 177.13 2qum n LEU 59 N -3.51 1.36 -1.24 2.28 4.32 -0.36 -4.94 117.00 114.90 2qum n LEU 59 Ca -0.02 -0.48 -0.12 0.00 -0.02 0.00 0.00 56.01 55.37 2qum n LEU 59 Cb 0.23 -0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 41.95 2qum n LEU 59 CO 0.29 0.27 -0.14 0.61 -1.22 0.00 0.00 177.39 177.19 2qum n GLY 60 N 1.43 0.25 3.70 -0.72 0.00 -0.19 -4.98 105.19 104.67 2qum n GLY 60 Ca 0.08 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.24 4.17 0.02 0.99 2.96 -0.39 -4.95 118.68 118.24 2qum s LEU 61 Ca 0.00 0.29 -0.21 0.00 -0.22 0.00 0.00 54.13 53.99 2qum s LEU 61 Cb 0.00 -2.23 -0.06 0.00 0.50 0.00 0.00 46.19 44.41 2qum s LEU 61 CO 0.00 0.08 0.62 -0.89 -1.32 0.00 0.00 176.35 174.84 2qum s THR 62 N 0.78 4.83 -0.18 3.68 2.01 -0.69 -4.36 115.64 121.72 2qum s THR 62 Ca 0.11 1.30 -0.02 0.00 0.31 0.00 0.00 61.69 63.40 2qum s THR 62 Cb -0.13 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2qum s THR 62 CO 0.03 0.44 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.63 2qum s VAL 63 N -0.38 3.27 0.28 3.82 1.01 -1.26 -0.38 120.40 126.76 2qum s VAL 63 Ca 0.32 -0.55 0.12 0.00 0.00 0.00 0.00 61.98 61.86 2qum s VAL 63 Cb -0.19 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2qum s VAL 63 CO 0.19 0.47 -0.16 0.00 0.00 0.00 0.00 175.10 175.59 2qum s MET 64 N 0.95 1.78 0.33 2.72 0.23 -0.34 -3.67 119.30 121.29 2qum s MET 64 Ca -0.01 -1.73 0.06 0.00 -1.03 0.00 0.00 55.69 52.98 2qum s MET 64 Cb -0.15 -1.83 -0.06 0.00 -1.53 0.00 0.00 34.83 31.26 2qum s MET 64 CO 0.00 0.32 -0.01 0.00 -2.03 0.00 0.00 175.02 173.31 2qum s ILE 67 N -3.97 0.02 -0.35 0.00 2.07 -0.65 -1.77 121.20 116.54 2qum s ILE 67 Ca 0.17 -0.63 0.01 0.00 -1.41 0.00 0.00 60.65 58.79 2qum s ILE 67 Cb -0.03 -1.47 0.11 0.00 0.13 0.00 0.00 42.46 41.20 2qum s ILE 67 CO 0.08 -0.10 0.13 -0.83 -1.91 0.00 0.00 174.94 172.31 2qum s GLY 68 N -2.85 1.40 0.17 1.50 0.00 -1.26 -1.07 107.32 105.22 2qum s GLY 68 Ca 0.07 -2.10 -0.33 0.00 0.00 0.00 0.00 44.72 42.36 2qum s GLY 68 CO -0.05 1.47 1.39 1.04 0.00 0.00 0.00 173.10 176.95 2qum n LEU 69 N 4.36 2.47 -4.85 0.66 4.77 -1.05 -4.62 117.00 118.74 2qum n LEU 69 Ca 0.02 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 56.81 2qum n LEU 69 Cb 0.40 -1.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.18 2qum n LEU 69 CO 0.17 -0.72 0.72 -0.54 -1.33 0.00 0.00 177.39 175.69 2qum s LYS 70 N 0.13 3.26 0.30 3.23 1.02 -1.26 -0.48 119.74 125.92 2qum s LYS 70 Ca 0.75 0.78 0.05 0.00 0.02 0.00 0.00 55.97 57.57 2qum s LYS 70 Cb -0.76 -2.04 0.74 0.00 -0.52 0.00 0.00 37.83 35.25 2qum s LYS 70 CO 0.46 -0.82 1.72 1.03 -0.92 0.00 0.00 175.35 176.82 2qum h SER 71 N -0.51 0.50 0.13 2.83 0.87 -1.93 0.61 113.55 116.05 2qum h SER 71 Ca -0.44 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2qum h SER 71 Cb 1.21 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2qum h SER 71 CO 0.60 0.09 0.00 -1.84 -0.53 0.00 0.00 176.83 175.15 2qum n GLU 72 N -4.95 0.45 -0.08 2.24 0.00 -1.26 -2.47 120.64 114.57 2qum n GLU 72 Ca 0.23 0.05 0.07 0.00 0.00 0.00 0.00 57.16 57.51 2qum n GLU 72 Cb 0.64 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.68 2qum n GLU 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2qum n TYR 73 N -1.11 0.00 -1.54 -1.84 0.53 0.20 -4.40 117.16 108.99 2qum n TYR 73 Ca 0.12 -0.84 -0.40 0.00 -1.02 0.00 0.00 57.90 55.76 2qum n TYR 73 Cb 0.09 -0.12 -0.05 0.00 -1.03 0.00 0.00 39.34 38.23 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 2.36 0.31 7.72 -0.08 -1.03 -4.38 116.55 120.28 2qum n ASP 74 Ca 0.12 -0.15 0.19 0.00 -1.51 0.00 0.00 54.79 53.45 2qum n ASP 74 Cb 0.57 -1.48 1.02 0.00 2.34 0.00 0.00 41.12 43.57 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 16.84 0.00 -0.01 -0.67 -1.00 -1.87 -2.08 116.94 128.15 2qum h PHE 75 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 2qum h PHE 75 Cb 1.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.83 2qum h PHE 75 CO 0.97 0.00 -0.55 0.00 -1.61 0.00 0.00 178.31 177.12 2qum n ALA 76 N -2.10 3.73 -1.69 2.45 0.00 -1.26 -3.36 120.51 118.28 2qum n ALA 76 Ca -0.02 -0.60 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 2qum n ALA 76 Cb 0.21 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.42 2.59 0.04 0.00 2.88 -0.78 -4.72 113.62 113.20 2qum n SER 77 Ca 0.09 1.20 0.09 0.00 -1.33 0.00 0.00 58.87 58.92 2qum n SER 77 Cb 0.42 -1.46 0.39 0.00 -0.75 0.00 0.00 64.21 62.82 2qum n SER 77 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2qum n PRO 78 N 0.53 0.06 -3.01 -1.46 -0.04 -1.26 -4.59 135.00 125.23 2qum n PRO 78 Ca 0.05 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.36 2qum n PRO 78 Cb 0.36 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2qum n PRO 78 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2qum s ASP 79 N -3.38 6.63 0.22 3.54 -1.08 -1.26 -4.96 116.67 116.39 2qum s ASP 79 Ca 0.07 0.68 -0.07 0.00 -0.52 0.00 0.00 52.55 52.71 2qum s ASP 79 Cb 0.11 -2.38 0.29 0.00 -1.46 0.00 0.00 42.92 39.48 2qum s ASP 79 CO 0.34 -0.51 1.82 0.50 0.52 0.00 0.00 175.17 177.84 2qum h LYS 80 N 8.02 0.78 -0.20 4.34 3.11 -2.00 -2.28 116.57 128.34 2qum h LYS 80 Ca -0.25 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.50 2qum h LYS 80 Cb 1.11 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 2qum h LYS 80 CO 0.84 0.51 -0.07 0.66 -2.81 0.00 0.00 179.45 178.58 2qum h SER 81 N 0.80 0.28 -0.21 4.20 4.64 -1.96 0.60 113.55 121.90 2qum h SER 81 Ca 0.34 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.51 2qum h SER 81 Cb 0.19 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2qum h SER 81 CO -0.18 0.40 -0.22 0.58 -0.87 0.00 0.00 176.83 176.53 2qum h VAL 82 N 0.29 1.33 -0.54 0.95 2.07 -1.74 -2.19 116.25 116.42 2qum h VAL 82 Ca 0.06 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 2qum h VAL 82 Cb 0.32 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2qum h VAL 82 CO 0.01 0.43 0.06 0.03 0.02 0.00 0.00 177.57 178.12 2qum h ARG 83 N 0.21 0.91 -0.27 1.57 3.08 -1.05 -1.88 114.38 116.95 2qum h ARG 83 Ca 0.03 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.85 2qum h ARG 83 Cb 0.78 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2qum h ARG 83 CO 0.05 0.90 0.11 -0.44 -1.07 0.00 0.00 179.97 179.53 2qum h ASP 84 N 0.79 0.14 -0.88 7.04 3.45 -0.86 -0.06 116.42 126.04 2qum h ASP 84 Ca 0.16 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.64 2qum h ASP 84 Cb 0.45 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.18 2qum h ASP 84 CO 0.02 0.12 0.55 0.00 -1.57 0.00 0.00 179.24 178.35 2qum h ALA 85 N 1.16 1.30 -0.36 3.45 0.00 -1.25 -2.19 119.26 121.37 2qum h ALA 85 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2qum h ALA 85 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2qum h ALA 85 CO -0.11 0.61 0.08 0.78 0.00 0.00 0.00 179.25 180.61 2qum h GLY 86 N 1.22 0.63 1.02 0.00 0.00 -0.59 -1.53 103.07 103.82 2qum h GLY 86 Ca 0.32 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2qum h GLY 86 CO -0.06 0.38 0.36 -0.91 0.00 0.00 0.00 176.54 176.31 2qum h THR 87 N 0.43 1.24 -0.20 4.70 1.35 -0.75 -0.60 112.91 119.08 2qum h THR 87 Ca 0.11 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 2qum h THR 87 Cb 0.32 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 2qum h THR 87 CO 0.00 0.29 0.07 -0.33 -0.25 0.00 0.00 175.52 175.30 2qum h GLU 88 N 1.06 0.30 -0.25 4.72 4.39 -1.34 -0.34 114.58 123.13 2qum h GLU 88 Ca 0.26 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.95 2qum h GLU 88 Cb 0.12 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 2qum h GLU 88 CO -0.03 0.38 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.19 2qum h TYR 89 N 0.16 -0.19 -0.79 4.33 5.03 -0.96 -0.99 116.97 123.57 2qum h TYR 89 Ca 0.07 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.42 2qum h TYR 89 Cb 0.19 0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.55 2qum h TYR 89 CO -0.01 -0.14 0.51 0.28 -1.32 0.00 0.00 178.16 177.48 2qum h VAL 90 N -0.04 1.15 -0.50 1.81 2.07 -0.94 -0.63 116.25 119.17 2qum h VAL 90 Ca 0.12 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2qum h VAL 90 Cb 0.22 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2qum h VAL 90 CO -0.28 0.18 0.33 0.11 0.02 0.00 0.00 177.57 177.94 2qum h LYS 91 N 1.01 0.59 -0.26 1.57 1.57 -0.09 0.68 116.57 121.64 2qum h LYS 91 Ca 0.30 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.89 2qum h LYS 91 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2qum h LYS 91 CO -0.09 0.39 -0.47 0.00 -0.57 0.00 0.00 179.45 178.71 2qum h ARG 92 N 0.61 0.69 -0.18 3.15 2.47 0.07 -2.52 114.38 118.66 2qum h ARG 92 Ca 0.19 -0.39 -0.08 0.00 -1.26 0.00 0.00 59.98 58.44 2qum h ARG 92 Cb 0.03 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2qum h ARG 92 CO -0.05 1.01 -0.24 -0.07 0.56 0.00 0.00 179.97 181.19 2qum h LEU 93 N 0.55 0.32 -1.21 3.04 3.38 0.27 -1.62 115.31 120.04 2qum h LEU 93 Ca 0.03 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2qum h LEU 93 Cb 1.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2qum h LEU 93 CO 0.10 0.56 -0.38 -0.07 0.09 0.00 0.00 178.44 178.74 2qum h LEU 94 N 0.29 0.00 -0.50 1.67 3.38 -0.72 -1.19 115.31 118.24 2qum h LEU 94 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2qum h LEU 94 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2qum h LEU 94 CO 0.04 0.38 0.17 0.44 0.09 0.00 0.00 178.44 179.56 2qum h ASP 95 N 0.00 0.71 -0.55 -0.43 3.45 -0.88 -0.99 116.42 117.75 2qum h ASP 95 Ca -0.00 -0.19 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 2qum h ASP 95 Cb 0.72 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.27 2qum h ASP 95 CO 0.05 0.71 0.34 0.44 -1.57 0.00 0.00 179.24 179.21 2qum h ASP 96 N 0.67 0.65 -0.61 6.45 3.32 -0.91 -1.55 116.42 124.44 2qum h ASP 96 Ca 0.16 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.23 2qum h ASP 96 Cb 0.24 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 2qum h ASP 96 CO -0.01 0.50 0.31 0.00 -1.72 0.00 0.00 179.24 178.32 2qum h HIS 98 N 0.57 -0.04 -0.90 0.00 -0.00 -0.70 0.40 115.15 114.47 2qum h HIS 98 Ca 0.28 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.72 2qum h HIS 98 Cb 0.22 0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.58 2qum h HIS 98 CO -0.10 0.05 0.59 1.25 -0.00 0.00 0.00 177.93 179.71 2qum h LEU 99 N -0.13 0.88 0.00 0.26 6.46 -0.92 0.11 115.31 121.96 2qum h LEU 99 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2qum h LEU 99 Cb 0.12 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2qum h LEU 99 CO 0.01 0.55 0.00 0.18 -0.62 0.00 0.00 178.44 178.55 2qum n LEU 100 N -4.51 0.00 -1.35 2.25 4.77 -0.19 -4.89 117.00 113.08 2qum n LEU 100 Ca 0.14 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.42 2qum n LEU 100 Cb 0.24 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2qum n LEU 100 CO 0.32 -0.01 -0.15 0.61 -1.33 0.00 0.00 177.39 176.83 2qum n GLY 101 N 1.37 -0.01 3.75 -0.72 0.00 0.37 -4.62 105.19 105.32 2qum n GLY 101 Ca 0.10 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.59 3.43 -0.08 4.61 0.00 0.12 -4.80 121.76 122.46 2qum s ALA 102 Ca 0.00 0.96 0.14 0.00 0.00 0.00 0.00 51.96 53.06 2qum s ALA 102 Cb 0.00 -3.39 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 2qum s ALA 102 CO 0.00 -0.32 0.88 -1.00 0.00 0.00 0.00 175.76 175.32 2qum h PRO 103 N 4.59 0.00 -5.41 0.00 0.13 -1.88 -3.44 132.00 125.99 2qum h PRO 103 Ca -0.46 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 2qum h PRO 103 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2qum h PRO 103 CO 0.71 0.44 -0.81 0.08 -0.23 0.00 0.00 178.00 178.19 2qum s VAL 104 N -2.81 1.19 -0.31 1.56 1.01 -1.26 -0.23 120.40 119.55 2qum s VAL 104 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2qum s VAL 104 Cb 0.08 -1.01 0.09 0.00 0.00 0.00 0.00 36.38 35.54 2qum s VAL 104 CO 0.81 0.26 0.01 0.12 0.00 0.00 0.00 175.10 176.30 2qum s PHE 105 N -0.47 3.39 0.30 5.22 5.36 0.12 -2.04 117.98 129.87 2qum s PHE 105 Ca 0.05 -2.65 0.02 0.00 -0.96 0.00 0.00 56.93 53.39 2qum s PHE 105 Cb -0.06 -2.49 0.02 0.00 -0.34 0.00 0.00 43.02 40.14 2qum s PHE 105 CO -0.00 -0.91 0.16 0.00 -1.46 0.00 0.00 175.22 173.00 2qum n ALA 106 N 4.37 0.40 0.00 11.12 0.00 0.14 -0.64 120.51 135.90 2qum n ALA 106 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2qum n ALA 106 Cb 0.42 0.57 0.00 0.00 0.00 0.00 0.00 19.45 20.44 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 1.39 -0.55 3.46 0.00 0.00 -1.26 -1.64 105.19 106.60 2qum n GLY 107 Ca -0.05 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 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 5.23 -0.90 0.99 7.99 -0.23 -1.41 117.00 128.67 2qum n LEU 108 Ca 0.00 -4.43 0.11 0.00 -0.01 0.00 0.00 56.01 51.68 2qum n LEU 108 Cb 0.00 -1.63 0.28 0.00 -0.11 0.00 0.00 43.42 41.96 2qum n LEU 108 CO 0.00 0.70 0.73 0.35 -1.51 0.00 0.00 177.39 177.66 2qum n THR 109 N 4.70 0.43 -0.73 -5.08 -2.24 -1.26 -2.53 114.28 107.56 2qum n THR 109 Ca 0.38 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2qum n THR 109 Cb 0.43 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.97 0.00 -3.83 4.78 -1.74 -1.26 -4.96 117.46 111.41 2qum n PHE 110 Ca 0.18 -0.10 -0.06 0.00 -0.56 0.00 0.00 57.45 56.91 2qum n PHE 110 Cb 0.47 -0.01 0.01 0.00 1.52 0.00 0.00 39.48 41.47 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 -2.54 3.41 -0.05 0.00 0.00 -1.26 -3.73 121.76 117.58 2qum s ALA 112 Ca 0.17 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 2qum s ALA 112 Cb -0.04 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2qum s ALA 112 CO 0.07 0.32 -0.00 -0.46 0.00 0.00 0.00 175.76 175.69 2qum s TRP 113 N -1.49 0.55 0.51 0.00 -0.00 0.36 -3.92 118.94 114.95 2qum s TRP 113 Ca 0.43 -0.10 -0.03 0.00 -0.00 0.00 0.00 56.10 56.40 2qum s TRP 113 Cb -0.17 -0.66 -0.01 0.00 -0.00 0.00 0.00 33.47 32.63 2qum s TRP 113 CO 0.22 -0.25 0.79 -1.25 -0.00 0.00 0.00 176.95 176.45 2qum s PRO 114 N 1.60 3.12 -0.24 5.86 0.04 -1.26 -4.71 135.00 139.40 2qum s PRO 114 Ca -0.01 -0.14 -0.26 0.00 0.04 0.00 0.00 61.00 60.63 2qum s PRO 114 Cb -0.13 -2.41 0.10 0.00 0.04 0.00 0.00 34.50 32.11 2qum s PRO 114 CO -0.03 -0.42 0.89 -1.14 0.04 0.00 0.00 177.00 176.33 2qum s GLN 115 N -4.77 0.68 0.23 4.56 0.74 -0.95 -4.97 119.66 115.18 2qum s GLN 115 Ca 0.50 0.65 0.10 0.00 0.05 0.00 0.00 55.36 56.66 2qum s GLN 115 Cb -0.10 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.29 2qum s GLN 115 CO 0.42 -0.12 -0.13 -1.12 -0.55 0.00 0.00 175.29 173.80 2qum s SER 116 N -0.02 4.01 0.70 6.67 0.01 -1.26 -3.63 113.70 120.18 2qum s SER 116 Ca 0.00 -0.76 -0.16 0.00 1.31 0.00 0.00 55.95 56.34 2qum s SER 116 Cb -0.04 -0.56 0.02 0.00 0.21 0.00 0.00 66.02 65.65 2qum s SER 116 CO -0.01 0.07 1.24 -2.84 0.41 0.00 0.00 173.24 172.10 2qum s PRO 117 N -3.16 2.29 0.64 12.44 0.02 -1.26 -4.96 135.00 141.01 2qum s PRO 117 Ca 0.27 1.87 -0.17 0.00 0.02 0.00 0.00 61.00 62.99 2qum s PRO 117 Cb -0.07 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 2qum s PRO 117 CO 0.15 -1.75 1.17 -1.25 -0.33 0.00 0.00 177.00 174.99 2qum s PRO 118 N -3.71 2.77 0.20 5.54 0.04 -1.26 -4.90 135.00 133.68 2qum s PRO 118 Ca 0.77 1.66 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 2qum s PRO 118 Cb -0.32 -1.92 0.16 0.00 0.04 0.00 0.00 34.50 32.46 2qum s PRO 118 CO 0.43 -1.32 1.58 -0.07 0.04 0.00 0.00 177.00 177.65 2qum h LEU 119 N 0.40 -1.20 -3.36 -3.56 3.38 -2.08 -1.74 115.31 107.15 2qum h LEU 119 Ca -0.49 0.25 -0.18 0.00 0.09 0.00 0.00 57.88 57.55 2qum h LEU 119 Cb 1.28 0.61 -0.07 0.00 0.09 0.00 0.00 40.66 42.57 2qum h LEU 119 CO 0.54 -0.30 0.16 -0.90 0.09 0.00 0.00 178.44 178.03 2qum n ASP 120 N -5.45 5.87 -4.54 -0.43 3.85 -1.26 -4.87 116.55 109.72 2qum n ASP 120 Ca 0.06 -2.73 -0.40 0.00 -0.71 0.00 0.00 54.79 51.01 2qum n ASP 120 Cb 0.37 -1.13 -0.11 0.00 -1.35 0.00 0.00 41.12 38.90 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 -0.77 3.56 -0.25 0.11 1.75 -0.66 -4.91 119.30 118.13 2qum s MET 121 Ca 0.21 -0.60 -0.10 0.00 -1.25 0.00 0.00 55.69 53.95 2qum s MET 121 Cb 0.15 -3.78 -0.12 0.00 2.84 0.00 0.00 34.83 33.92 2qum s MET 121 CO -0.01 -0.41 -0.30 1.63 -0.65 0.00 0.00 175.02 175.28 2qum n LYS 122 N 5.10 0.54 -4.96 4.11 4.01 -1.26 -4.97 118.16 120.72 2qum n LYS 122 Ca -0.13 0.22 -0.32 0.00 -0.51 0.00 0.00 58.31 57.56 2qum n LYS 122 Cb 0.50 -1.40 -0.15 0.00 -0.51 0.00 0.00 35.03 33.47 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 -7.09 3.73 0.00 4.39 3.68 -1.26 -5.02 116.67 115.10 2qum s ASP 123 Ca -0.34 -0.34 0.21 0.00 2.13 0.00 0.00 52.55 54.20 2qum s ASP 123 Cb 0.13 -1.17 -0.18 0.00 -1.45 0.00 0.00 42.92 40.24 2qum s ASP 123 CO 0.46 0.24 0.94 2.29 0.13 0.00 0.00 175.17 179.23 2qum n LYS 124 N 3.00 0.26 -0.30 4.34 2.85 -1.26 -4.46 118.16 122.59 2qum n LYS 124 Ca -0.18 -0.22 0.10 0.00 -1.05 0.00 0.00 58.31 56.97 2qum n LYS 124 Cb 0.52 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.67 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 0.53 0.53 -0.36 -1.58 9.65 -1.98 -0.85 114.38 120.31 2qum h ARG 125 Ca 0.00 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.91 2qum h ARG 125 Cb 0.56 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.96 2qum h ARG 125 CO 0.00 0.35 0.01 -1.35 2.80 0.00 0.00 179.97 181.78 2qum h PRO 126 N 0.54 0.11 -0.31 0.20 0.11 -2.00 0.21 132.00 130.86 2qum h PRO 126 Ca 0.51 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.54 2qum h PRO 126 Cb 0.83 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2qum h PRO 126 CO -0.43 0.07 -0.08 1.88 -0.21 0.00 0.00 178.00 179.24 2qum h TYR 127 N 0.11 0.68 -0.45 0.65 -1.99 -1.59 -2.14 116.97 112.24 2qum h TYR 127 Ca 0.17 -0.15 0.04 0.00 2.00 0.00 0.00 58.73 60.80 2qum h TYR 127 Cb 0.23 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 38.76 2qum h TYR 127 CO -0.24 0.78 0.22 0.28 -0.00 0.00 0.00 178.16 179.20 2qum h VAL 128 N 0.37 0.95 -0.76 -2.88 2.07 -0.87 -0.56 116.25 114.57 2qum h VAL 128 Ca 0.08 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2qum h VAL 128 Cb 0.57 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2qum h VAL 128 CO 0.03 0.08 0.41 0.44 0.02 0.00 0.00 177.57 178.56 2qum h ASP 129 N 0.44 0.95 -0.67 0.57 3.45 -0.50 -0.92 116.42 119.75 2qum h ASP 129 Ca 0.20 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.50 2qum h ASP 129 Cb 0.12 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 2qum h ASP 129 CO -0.15 0.78 0.20 0.03 -1.57 0.00 0.00 179.24 178.52 2qum h ARG 130 N 1.05 1.05 -0.37 3.56 3.08 -0.92 -1.72 114.38 120.11 2qum h ARG 130 Ca 0.27 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2qum h ARG 130 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2qum h ARG 130 CO -0.04 0.92 -0.03 0.00 -1.07 0.00 0.00 179.97 179.74 2qum h ALA 131 N 1.08 1.26 -0.55 0.04 0.00 -0.66 -0.86 119.26 119.58 2qum h ALA 131 Ca 0.21 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2qum h ALA 131 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qum h ALA 131 CO -0.00 0.49 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 2qum h ILE 132 N 0.56 1.27 -0.26 0.00 1.08 -0.73 -1.30 117.51 118.13 2qum h ILE 132 Ca 0.11 -1.14 -0.13 0.00 -0.39 0.00 0.00 64.86 63.32 2qum h ILE 132 Cb 0.40 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2qum h ILE 132 CO 0.02 0.41 -0.37 -0.33 -0.69 0.00 0.00 178.15 177.18 2qum h GLU 133 N 0.86 0.58 -0.17 2.37 4.39 -0.96 -2.01 114.58 119.64 2qum h GLU 133 Ca 0.15 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2qum h GLU 133 Cb 0.56 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2qum h GLU 133 CO 0.03 0.87 0.08 0.77 -1.16 0.00 0.00 179.01 179.60 2qum h SER 134 N 0.49 0.23 -0.65 1.42 0.02 -0.89 -1.48 113.55 112.70 2qum h SER 134 Ca 0.05 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2qum h SER 134 Cb 0.87 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 2qum h SER 134 CO 0.07 0.30 0.40 0.58 -1.14 0.00 0.00 176.83 177.04 2qum h VAL 135 N 0.15 1.07 0.00 2.27 2.07 -1.14 -1.66 116.25 119.01 2qum h VAL 135 Ca 0.06 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2qum h VAL 135 Cb 0.14 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2qum h VAL 135 CO -0.01 0.14 -0.05 0.03 0.02 0.00 0.00 177.57 177.71 2qum h ARG 136 N 0.78 0.00 0.00 1.57 3.08 -1.02 0.17 114.38 118.96 2qum h ARG 136 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2qum h ARG 136 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2qum h ARG 136 CO -0.11 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 2qum h ARG 137 N 0.00 0.00 0.00 0.04 3.08 -0.28 -3.32 114.38 113.90 2qum h ARG 137 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qum h ARG 137 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2qum h ARG 137 CO 0.01 0.00 -0.03 1.33 -1.07 0.00 0.00 179.97 180.21 2qum n VAL 138 N -2.61 0.00 -0.06 2.04 0.24 -0.68 -4.79 118.33 112.47 2qum n VAL 138 Ca 0.03 -0.37 0.21 0.00 -2.04 0.00 0.00 64.34 62.17 2qum n VAL 138 Cb 0.37 0.98 0.66 0.00 -1.47 0.00 0.00 33.84 34.38 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 0.00 0.71 -0.14 1.34 6.09 -0.79 -0.84 117.51 123.87 2qum h ILE 139 Ca 0.00 -0.03 -0.05 0.00 -1.37 0.00 0.00 64.86 63.41 2qum h ILE 139 Cb 0.00 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 37.91 2qum h ILE 139 CO 0.00 0.01 -0.15 0.50 -3.07 0.00 0.00 178.15 175.44 2qum h LYS 140 N 0.08 0.23 -0.59 2.19 3.64 -1.86 -0.89 116.57 119.36 2qum h LYS 140 Ca 0.31 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 2qum h LYS 140 Cb 1.11 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2qum h LYS 140 CO -0.03 0.39 0.04 0.28 -2.27 0.00 0.00 179.45 177.86 2qum h VAL 141 N 0.21 1.26 -0.42 2.00 2.07 -1.51 0.66 116.25 120.52 2qum h VAL 141 Ca 0.04 -1.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 2qum h VAL 141 Cb 0.41 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2qum h VAL 141 CO 0.03 0.39 -0.16 0.00 0.02 0.00 0.00 177.57 177.84 2qum h ALA 142 N 1.11 0.58 -0.00 1.67 0.00 -1.46 -2.35 119.26 118.81 2qum h ALA 142 Ca 0.18 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qum h ALA 142 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2qum h ALA 142 CO 0.02 0.51 -0.06 0.93 0.00 0.00 0.00 179.25 180.65 2qum h GLU 143 N 0.67 -0.10 0.00 0.00 5.08 -0.68 0.90 114.58 120.44 2qum h GLU 143 Ca 0.10 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2qum h GLU 143 Cb 0.71 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2qum h GLU 143 CO 0.05 -0.07 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.41 2qum h ASP 144 N -0.11 0.00 0.55 1.42 3.32 -0.86 -2.01 116.42 118.73 2qum h ASP 144 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2qum h ASP 144 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2qum h ASP 144 CO -0.07 0.15 -0.49 -1.22 -1.72 0.00 0.00 179.24 175.89 2qum n TYR 145 N -3.54 0.03 -2.98 4.55 0.53 -0.89 -4.94 117.16 109.93 2qum n TYR 145 Ca -0.01 0.01 -0.12 0.00 -1.02 0.00 0.00 57.90 56.75 2qum n TYR 145 Cb 0.29 -0.29 0.04 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 0.14 3.48 2.72 0.00 -0.31 -5.02 105.19 107.69 2qum n GLY 146 Ca 0.05 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.10 3.66 0.03 -0.61 1.01 0.16 -4.87 121.20 117.48 2qum s ILE 147 Ca 0.28 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 2qum s ILE 147 Cb -0.12 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2qum s ILE 147 CO 0.34 0.52 1.14 -0.63 0.00 0.00 0.00 174.94 176.31 2qum s ILE 148 N 0.17 4.28 -0.61 2.92 1.09 0.68 -4.43 121.20 125.29 2qum s ILE 148 Ca -0.03 1.63 -0.11 0.00 -1.10 0.00 0.00 60.65 61.04 2qum s ILE 148 Cb -0.14 -4.04 0.16 0.00 -1.06 0.00 0.00 42.46 37.37 2qum s ILE 148 CO 0.03 0.11 0.51 -0.47 -0.10 0.00 0.00 174.94 175.02 2qum s TYR 149 N 1.23 3.48 0.09 3.97 6.14 0.70 -0.70 117.35 132.26 2qum s TYR 149 Ca 0.57 -1.93 -0.20 0.00 0.64 0.00 0.00 57.07 56.14 2qum s TYR 149 Cb -0.27 -3.60 -0.07 0.00 0.42 0.00 0.00 41.96 38.45 2qum s TYR 149 CO 0.28 -0.97 0.60 0.00 0.64 0.00 0.00 175.55 176.09 2qum s ALA 150 N 0.84 3.57 -0.40 3.97 0.00 0.19 -1.80 121.76 128.12 2qum s ALA 150 Ca 0.10 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 2qum s ALA 150 Cb -0.21 -2.68 0.08 0.00 0.00 0.00 0.00 23.12 20.31 2qum s ALA 150 CO -0.03 0.39 0.22 -0.51 0.00 0.00 0.00 175.76 175.83 2qum s LEU 151 N -1.14 5.04 0.26 0.00 1.43 -0.39 -4.02 118.68 119.86 2qum s LEU 151 Ca 0.30 -1.59 -0.29 0.00 -1.03 0.00 0.00 54.13 51.52 2qum s LEU 151 Cb -0.20 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 2qum s LEU 151 CO 0.20 -0.51 0.98 -0.70 0.23 0.00 0.00 176.35 176.55 2qum s GLU 152 N 1.35 4.77 -0.42 1.70 2.12 -0.50 -1.25 118.70 126.46 2qum s GLU 152 Ca 0.03 1.55 -0.16 0.00 0.36 0.00 0.00 54.97 56.75 2qum s GLU 152 Cb -0.23 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 30.99 2qum s GLU 152 CO 0.00 0.41 0.36 0.08 -0.54 0.00 0.00 175.26 175.57 2qum s VAL 153 N -1.23 5.19 0.37 3.70 1.01 -0.57 -4.80 120.40 124.06 2qum s VAL 153 Ca 0.43 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2qum s VAL 153 Cb -0.27 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2qum s VAL 153 CO 0.33 -0.37 0.13 0.68 0.00 0.00 0.00 175.10 175.87 2qum s VAL 154 N 1.87 2.68 0.83 2.92 -7.23 -1.25 -4.39 120.40 115.82 2qum s VAL 154 Ca 0.08 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 2qum s VAL 154 Cb -0.18 -2.94 0.09 0.00 0.56 0.00 0.00 36.38 33.91 2qum s VAL 154 CO 0.11 -0.12 1.10 0.54 -0.31 0.00 0.00 175.10 176.42 2qum s ASN 155 N -3.84 3.93 0.65 4.85 2.20 -1.26 -4.34 114.94 117.13 2qum s ASN 155 Ca 0.38 1.78 0.24 0.00 -0.94 0.00 0.00 52.86 54.32 2qum s ASN 155 Cb 0.00 -2.43 1.25 0.00 -2.00 0.00 0.00 41.25 38.07 2qum s ASN 155 CO 0.22 -2.39 1.71 0.08 -2.94 0.00 0.00 177.10 173.77 2qum h ARG 156 N -1.38 0.00 0.00 3.55 0.11 -1.89 -0.69 114.38 114.08 2qum h ARG 156 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2qum h ARG 156 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2qum h ARG 156 CO 0.51 0.00 -0.84 0.74 0.10 0.00 0.00 179.97 180.48 2qum h PHE 157 N 0.00 0.00 0.00 4.08 0.04 -1.94 -3.37 116.94 115.75 2qum h PHE 157 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2qum h PHE 157 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2qum h PHE 157 CO 0.00 0.00 -1.72 0.39 -0.60 0.00 0.00 178.31 176.38 2qum n GLU 158 N -2.46 0.59 -3.83 1.51 1.02 -0.30 -4.72 120.64 112.44 2qum n GLU 158 Ca 0.01 -0.15 -0.07 0.00 -0.02 0.00 0.00 57.16 56.94 2qum n GLU 158 Cb 0.50 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.54 2qum n GLU 158 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2qum s GLN 159 N -3.15 1.90 0.00 3.49 -1.52 -0.98 -2.25 119.66 117.15 2qum s GLN 159 Ca -0.05 -1.18 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 2qum s GLN 159 Cb 0.11 0.56 0.00 0.00 -0.22 0.00 0.00 33.01 33.46 2qum s GLN 159 CO 0.71 -0.88 0.01 -2.67 -0.25 0.00 0.00 175.29 172.21 2qum n TRP 160 N -0.54 0.00 -0.06 0.91 4.27 -1.26 -4.15 117.44 116.61 2qum n TRP 160 Ca -0.06 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.43 2qum n TRP 160 Cb 0.60 0.02 -0.11 0.00 -1.36 0.00 0.00 31.31 30.46 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 -0.01 -6.97 5.67 3.38 -1.96 -3.43 115.31 111.98 2qum h LEU 161 Ca 0.00 -0.81 -0.59 0.00 0.09 0.00 0.00 57.88 56.58 2qum h LEU 161 Cb 0.51 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.86 2qum h LEU 161 CO 0.00 0.88 -0.77 0.00 0.09 0.00 0.00 178.44 178.64 2qum n ASN 163 N 4.35 1.10 -3.97 0.00 5.03 -1.26 -3.83 115.26 116.68 2qum n ASN 163 Ca 0.03 -0.90 -0.09 0.00 0.87 0.00 0.00 54.58 54.50 2qum n ASN 163 Cb 0.39 0.26 -0.08 0.00 -1.02 0.00 0.00 39.78 39.33 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 -2.61 0.19 0.28 6.41 3.84 -1.26 -4.71 116.67 118.81 2qum s ASP 164 Ca 0.20 -0.85 0.02 0.00 -0.00 0.00 0.00 52.55 51.92 2qum s ASP 164 Cb 0.19 0.33 0.63 0.00 -1.38 0.00 0.00 42.92 42.69 2qum s ASP 164 CO 0.58 -0.75 1.75 0.00 -0.00 0.00 0.00 175.17 176.75 2qum h ALA 165 N 2.78 1.40 -0.51 2.11 0.00 -1.92 -1.93 119.26 121.20 2qum h ALA 165 Ca -0.34 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2qum h ALA 165 Cb 1.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2qum h ALA 165 CO 0.56 -0.15 0.21 -0.22 0.00 0.00 0.00 179.25 179.65 2qum h LYS 166 N 0.59 0.39 -0.42 0.00 3.64 -1.97 0.40 116.57 119.20 2qum h LYS 166 Ca 0.51 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.82 2qum h LYS 166 Cb 0.81 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2qum h LYS 166 CO -0.41 0.26 0.05 0.93 -2.27 0.00 0.00 179.45 178.01 2qum h GLU 167 N 0.40 0.71 -0.48 1.90 5.08 -1.76 -2.68 114.58 117.75 2qum h GLU 167 Ca 0.24 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2qum h GLU 167 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2qum h GLU 167 CO -0.22 0.75 0.08 0.00 -1.00 0.00 0.00 179.01 178.63 2qum h ALA 168 N 0.92 1.24 -0.68 3.43 0.00 -1.07 -1.68 119.26 121.43 2qum h ALA 168 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qum h ALA 168 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2qum h ALA 168 CO 0.01 0.52 0.32 0.82 0.00 0.00 0.00 179.25 180.92 2qum h ILE 169 N 0.72 1.23 -0.07 0.00 1.08 -0.78 0.19 117.51 119.88 2qum h ILE 169 Ca 0.15 -0.66 -0.10 0.00 -0.39 0.00 0.00 64.86 63.87 2qum h ILE 169 Cb 0.32 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 2qum h ILE 169 CO 0.00 0.27 -0.40 0.00 -0.69 0.00 0.00 178.15 177.34 2qum h ALA 170 N 1.15 1.21 0.02 1.87 0.00 -1.14 0.99 119.26 123.36 2qum h ALA 170 Ca 0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qum h ALA 170 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qum h ALA 170 CO -0.03 0.55 -0.01 0.35 0.00 0.00 0.00 179.25 180.11 2qum h PHE 171 N 0.12 -0.02 -0.89 0.00 3.04 -0.50 -2.16 116.94 116.53 2qum h PHE 171 Ca 0.01 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 2qum h PHE 171 Cb 0.76 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.24 2qum h PHE 171 CO 0.01 0.42 0.49 0.00 -2.02 0.00 0.00 178.31 177.21 2qum h ALA 172 N 0.49 1.18 -0.77 2.41 0.00 -0.47 -2.05 119.26 120.05 2qum h ALA 172 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qum h ALA 172 Cb 0.45 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2qum h ALA 172 CO 0.00 0.66 0.39 -0.44 0.00 0.00 0.00 179.25 179.86 2qum h ASP 173 N 1.25 1.00 -0.37 0.00 3.32 -0.77 -1.97 116.42 118.87 2qum h ASP 173 Ca 0.31 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 2qum h ASP 173 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2qum h ASP 173 CO -0.05 0.84 -0.12 0.00 -1.72 0.00 0.00 179.24 178.19 2qum h ALA 174 N 1.20 0.94 -0.34 3.45 0.00 -1.01 -2.23 119.26 121.26 2qum h ALA 174 Ca 0.27 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qum h ALA 174 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2qum h ALA 174 CO -0.04 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.17 2qum h VAL 175 N 0.74 1.17 -6.27 0.00 2.07 -1.09 -3.47 116.25 109.39 2qum h VAL 175 Ca 0.12 -0.64 -0.39 0.00 0.82 0.00 0.00 66.70 66.61 2qum h VAL 175 Cb 0.62 0.86 0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2qum h VAL 175 CO 0.04 0.23 -0.82 -0.67 0.02 0.00 0.00 177.57 176.37 2qum n ASP 176 N -4.33 -5.55 -3.87 0.57 2.03 -0.77 -4.92 116.55 99.73 2qum n ASP 176 Ca 0.02 -0.87 -0.13 0.00 0.52 0.00 0.00 54.79 54.33 2qum n ASP 176 Cb 0.20 -3.13 -0.14 0.00 -0.72 0.00 0.00 41.12 37.33 2qum n ASP 176 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qum s SER 177 N -3.27 0.12 0.00 1.67 0.15 -1.26 -5.01 113.70 106.11 2qum s SER 177 Ca 0.28 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.99 2qum s SER 177 Cb -0.11 -0.03 0.36 0.00 -1.71 0.00 0.00 66.02 64.53 2qum s SER 177 CO 0.86 -0.01 1.22 -0.81 1.20 0.00 0.00 173.24 175.70 2qum n PRO 178 N 3.26 0.03 0.00 5.44 -0.04 -1.26 -1.98 135.00 140.45 2qum n PRO 178 Ca -0.15 0.32 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 2qum n PRO 178 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2qum n PRO 178 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qum n ALA 179 N -1.44 2.60 -2.57 0.55 0.00 -1.26 -4.90 120.51 113.48 2qum n ALA 179 Ca 0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 2qum n ALA 179 Cb 0.09 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 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 2.69 1.94 0.15 0.00 -0.14 -0.75 -4.75 119.74 118.88 2qum s LYS 181 Ca 0.24 -2.18 0.03 0.00 -1.36 0.00 0.00 55.97 52.70 2qum s LYS 181 Cb -0.15 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 35.02 2qum s LYS 181 CO 0.14 -0.37 0.28 0.08 -0.76 0.00 0.00 175.35 174.72 2qum s VAL 182 N -3.12 5.29 -0.07 3.17 1.01 0.17 -1.26 120.40 125.60 2qum s VAL 182 Ca 0.23 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2qum s VAL 182 Cb 0.04 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2qum s VAL 182 CO 0.12 -0.09 -0.04 -1.58 0.00 0.00 0.00 175.10 173.51 2qum s GLN 183 N -3.21 0.97 0.20 2.72 0.74 -0.38 0.59 119.66 121.29 2qum s GLN 183 Ca 0.34 -0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.73 2qum s GLN 183 Cb -0.11 -1.10 -0.04 0.00 1.10 0.00 0.00 33.01 32.86 2qum s GLN 183 CO 0.28 -0.19 0.10 -0.51 -0.55 0.00 0.00 175.29 174.42 2qum s LEU 184 N 1.46 3.63 -0.07 3.68 1.43 -1.21 -1.52 118.68 126.07 2qum s LEU 184 Ca -0.02 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2qum s LEU 184 Cb -0.13 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.89 2qum s LEU 184 CO -0.03 0.04 -0.02 -0.62 0.23 0.00 0.00 176.35 175.95 2qum s ASP 185 N -3.28 1.59 0.46 2.29 -1.08 -1.26 -1.04 116.67 114.34 2qum s ASP 185 Ca 0.31 -0.13 0.15 0.00 -0.52 0.00 0.00 52.55 52.35 2qum s ASP 185 Cb -0.09 -0.52 1.09 0.00 -1.46 0.00 0.00 42.92 41.94 2qum s ASP 185 CO 0.22 -0.15 2.03 0.71 0.52 0.00 0.00 175.17 178.50 2qum h THR 186 N 6.26 0.93 0.18 1.71 1.35 -1.67 0.66 112.91 122.34 2qum h THR 186 Ca -0.25 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 2qum h THR 186 Cb 1.13 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2qum h THR 186 CO 0.33 0.06 -0.09 0.15 -0.25 0.00 0.00 175.52 175.71 2qum h PHE 187 N 0.30 -0.23 -0.07 4.73 3.57 -1.80 0.73 116.94 124.17 2qum h PHE 187 Ca 0.20 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 2qum h PHE 187 Cb 0.40 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2qum h PHE 187 CO -0.00 -0.01 -0.42 0.45 -2.23 0.00 0.00 178.31 176.11 2qum h HIS 188 N -0.42 0.18 -0.45 0.41 3.86 -1.64 -2.89 115.15 114.20 2qum h HIS 188 Ca -0.03 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 2qum h HIS 188 Cb 0.33 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2qum h HIS 188 CO -0.01 0.55 0.00 0.52 0.86 0.00 0.00 177.93 179.85 2qum h MET 189 N 0.13 0.79 -0.05 2.45 2.86 0.49 -2.46 114.93 119.14 2qum h MET 189 Ca 0.01 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2qum h MET 189 Cb 0.80 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 2qum h MET 189 CO 0.06 0.85 0.32 -0.97 1.06 0.00 0.00 176.91 178.24 2qum h ASN 190 N 0.64 0.00 0.00 1.22 -1.24 -0.63 -0.08 115.58 115.48 2qum h ASN 190 Ca 0.13 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.04 2qum h ASN 190 Cb 0.49 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 2qum h ASN 190 CO 0.02 0.00 -1.07 -0.38 -1.29 0.00 0.00 177.43 174.71 2qum n ILE 191 N -3.02 1.48 0.05 2.57 5.41 -0.98 -4.77 119.36 120.11 2qum n ILE 191 Ca -0.01 0.07 0.05 0.00 1.00 0.00 0.00 62.75 63.86 2qum n ILE 191 Cb 0.39 -2.25 -0.06 0.00 -0.71 0.00 0.00 39.64 37.01 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 -4.49 0.62 -2.98 0.38 -0.58 -0.96 -4.92 120.64 107.71 2qum n GLU 192 Ca -0.20 0.16 -0.40 0.00 -0.42 0.00 0.00 57.16 56.30 2qum n GLU 192 Cb 0.50 -1.79 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 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 -3.11 4.46 0.14 3.49 0.41 -0.06 -4.94 118.70 119.09 2qum s GLU 193 Ca -0.02 0.99 -0.12 0.00 -0.41 0.00 0.00 54.97 55.41 2qum s GLU 193 Cb 0.09 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.98 2qum s GLU 193 CO 0.81 0.07 1.51 1.79 -0.49 0.00 0.00 175.26 178.95 2qum h THR 194 N 4.69 1.28 -3.30 3.63 1.35 -1.91 -3.43 112.91 115.22 2qum h THR 194 Ca -0.41 -1.40 -0.43 0.00 -0.55 0.00 0.00 66.41 63.62 2qum h THR 194 Cb 1.20 1.27 -0.37 0.00 -1.73 0.00 0.00 68.15 68.53 2qum h THR 194 CO 0.75 0.47 -0.77 -0.55 -0.25 0.00 0.00 175.52 175.17 2qum s SER 195 N -6.65 1.46 0.11 5.36 0.15 -1.26 -5.04 113.70 107.83 2qum s SER 195 Ca -0.12 -0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 2qum s SER 195 Cb 0.11 -0.46 -0.08 0.00 -1.71 0.00 0.00 66.02 63.88 2qum s SER 195 CO 0.86 -0.16 1.73 -0.26 1.20 0.00 0.00 173.24 176.60 2qum h PHE 196 N 8.07 -0.02 0.04 3.44 -1.00 -1.94 -2.33 116.94 123.21 2qum h PHE 196 Ca -0.24 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.57 2qum h PHE 196 Cb 1.13 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.68 2qum h PHE 196 CO 0.48 -0.02 -0.20 -0.09 -1.61 0.00 0.00 178.31 176.87 2qum h ARG 197 N 0.03 -0.33 -0.45 1.51 2.43 -1.95 -1.63 114.38 114.00 2qum h ARG 197 Ca 0.05 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2qum h ARG 197 Cb 0.07 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2qum h ARG 197 CO -0.10 -0.22 0.23 -0.44 -1.51 0.00 0.00 179.97 177.93 2qum h ASP 198 N -0.34 0.55 -0.23 -3.80 3.32 -1.97 0.25 116.42 114.19 2qum h ASP 198 Ca 0.05 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2qum h ASP 198 Cb 0.40 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2qum h ASP 198 CO -0.16 0.46 0.10 0.00 -1.72 0.00 0.00 179.24 177.93 2qum h ALA 199 N 1.63 0.30 -0.23 3.45 0.00 -1.01 -1.17 119.26 122.23 2qum h ALA 199 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2qum h ALA 199 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qum h ALA 199 CO -0.02 -0.12 -0.09 0.82 0.00 0.00 0.00 179.25 179.83 2qum h ILE 200 N 0.23 1.30 -0.80 0.00 1.08 -0.58 -3.01 117.51 115.73 2qum h ILE 200 Ca 0.08 -1.14 0.03 0.00 -0.39 0.00 0.00 64.86 63.43 2qum h ILE 200 Cb 0.15 1.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 2qum h ILE 200 CO -0.01 0.35 0.53 -0.07 -0.69 0.00 0.00 178.15 178.26 2qum h LEU 201 N 0.19 0.87 -2.45 1.44 3.38 -0.50 0.02 115.31 118.26 2qum h LEU 201 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2qum h LEU 201 Cb 0.58 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qum h LEU 201 CO 0.03 0.60 -0.02 0.00 0.09 0.00 0.00 178.44 179.14 2qum h ALA 202 N 1.53 1.16 -0.27 1.53 0.00 -1.08 -1.85 119.26 120.27 2qum h ALA 202 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qum h ALA 202 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qum h ALA 202 CO -0.08 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2qum n LYS 204 N 0.72 0.86 -0.93 0.00 4.81 -0.70 0.49 118.16 123.41 2qum n LYS 204 Ca 0.17 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2qum n LYS 204 Cb 0.41 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.52 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 3.85 0.48 0.04 3.14 0.00 -1.26 -4.79 105.19 106.64 2qum n GLY 205 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.83 1.27 -3.11 1.61 5.02 0.18 -5.03 118.16 116.27 2qum n LYS 206 Ca 0.00 -1.06 -0.41 0.00 -2.02 0.00 0.00 58.31 54.82 2qum n LYS 206 Cb 0.09 -0.76 -0.06 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.58 4.07 -0.20 1.97 1.75 -0.94 0.46 119.30 125.83 2qum s MET 207 Ca 0.02 0.51 0.16 0.00 -1.25 0.00 0.00 55.69 55.12 2qum s MET 207 Cb 0.02 -3.66 -0.24 0.00 2.84 0.00 0.00 34.83 33.78 2qum s MET 207 CO 0.00 -0.45 0.05 0.41 -0.65 0.00 0.00 175.02 174.39 2qum n GLY 208 N 4.21 -0.92 3.47 2.11 0.00 0.20 -4.83 105.19 109.42 2qum n GLY 208 Ca -0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.50 0.04 -0.18 1.61 5.65 -1.20 -4.43 115.29 114.28 2qum s HIS 209 Ca -0.13 -0.39 -0.06 0.00 0.25 0.00 0.00 55.06 54.73 2qum s HIS 209 Cb 0.06 0.26 0.08 0.00 -1.18 0.00 0.00 32.58 31.81 2qum s HIS 209 CO 0.80 -0.86 0.38 0.12 -0.65 0.00 0.00 174.74 174.53 2qum s PHE 210 N -3.90 -0.69 -0.11 3.88 2.19 -1.09 -3.34 117.98 114.92 2qum s PHE 210 Ca 0.12 1.37 -0.10 0.00 0.33 0.00 0.00 56.93 58.64 2qum s PHE 210 Cb 0.00 0.21 -0.05 0.00 -1.31 0.00 0.00 43.02 41.88 2qum s PHE 210 CO -0.02 -0.44 0.22 -1.01 1.83 0.00 0.00 175.22 175.80 2qum s HIS 211 N 2.53 3.57 -0.15 10.12 3.76 -0.20 -1.30 115.29 133.63 2qum s HIS 211 Ca -0.01 0.61 -0.02 0.00 -0.15 0.00 0.00 55.06 55.48 2qum s HIS 211 Cb -0.12 -2.11 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 2qum s HIS 211 CO -0.12 0.57 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.76 2qum s LEU 212 N -0.57 3.08 -0.19 0.89 1.43 0.18 -1.95 118.68 121.56 2qum s LEU 212 Ca 0.16 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 2qum s LEU 212 Cb -0.13 -1.73 0.12 0.00 0.03 0.00 0.00 46.19 44.48 2qum s LEU 212 CO 0.05 0.17 0.98 -0.83 0.23 0.00 0.00 176.35 176.96 2qum s GLY 213 N 0.32 -0.26 1.10 -3.19 0.00 -1.26 -0.20 107.32 103.83 2qum s GLY 213 Ca -0.06 2.16 -0.17 0.00 0.00 0.00 0.00 44.72 46.65 2qum s GLY 213 CO 0.04 1.25 1.14 -0.54 0.00 0.00 0.00 173.10 174.99 2qum s GLU 214 N -0.74 -0.40 0.26 2.90 0.41 -0.50 -3.77 118.70 116.86 2qum s GLU 214 Ca -0.01 0.03 -0.01 0.00 -0.41 0.00 0.00 54.97 54.57 2qum s GLU 214 Cb -0.02 -1.68 0.55 0.00 -1.78 0.00 0.00 34.13 31.20 2qum s GLU 214 CO 0.00 -3.18 1.73 0.00 -0.49 0.00 0.00 175.26 173.32 2qum h ALA 215 N -2.20 1.23 -0.55 5.21 0.00 -1.91 0.54 119.26 121.58 2qum h ALA 215 Ca -0.47 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 2qum h ALA 215 Cb 1.30 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 2qum h ALA 215 CO 0.42 -0.20 0.16 0.27 0.00 0.00 0.00 179.25 179.90 2qum n ASN 216 N -4.97 3.67 -1.31 0.00 0.23 -1.26 -4.94 115.26 106.68 2qum n ASN 216 Ca 0.17 -3.43 -0.13 0.00 -0.53 0.00 0.00 54.58 50.66 2qum n ASN 216 Cb 0.48 -0.68 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 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 -0.72 -1.01 -1.90 -3.83 1.74 0.18 -4.90 116.66 106.23 2qum n ARG 217 Ca 0.37 0.78 -0.29 0.00 -0.77 0.00 0.00 57.85 57.95 2qum n ARG 217 Cb 1.21 -4.95 0.09 0.00 -1.02 0.00 0.00 32.46 27.79 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 -3.49 2.50 0.30 0.55 1.43 -1.26 -2.02 118.68 116.68 2qum s LEU 218 Ca 0.00 0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 53.58 2qum s LEU 218 Cb 0.00 -3.26 -0.10 0.00 0.03 0.00 0.00 46.19 42.86 2qum s LEU 218 CO 0.00 -1.92 1.41 -2.84 0.23 0.00 0.00 176.35 173.23 2qum s PRO 219 N -5.58 4.26 0.47 1.29 0.02 -1.26 -1.42 135.00 132.78 2qum s PRO 219 Ca 0.62 2.33 -0.23 0.00 0.02 0.00 0.00 61.00 63.74 2qum s PRO 219 Cb -0.11 -3.07 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 2qum s PRO 219 CO 0.49 -0.37 0.99 -0.35 -0.33 0.00 0.00 177.00 177.43 2qum n PRO 220 N 1.51 1.24 0.00 5.54 -0.04 -1.26 -1.94 135.00 140.05 2qum n PRO 220 Ca 0.04 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2qum n PRO 220 Cb 0.40 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 1.22 2.21 0.13 0.55 0.00 -1.26 -4.55 105.19 103.48 2qum n GLY 221 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.34 0.00 1.61 1.02 -0.82 -5.00 120.64 115.79 2qum n GLU 222 Ca 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2qum n GLU 222 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 1.46 6.33 0.88 0.62 0.00 -1.26 -5.04 105.19 108.18 2qum n GLY 223 Ca 0.06 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 2.10 -1.99 1.61 1.85 -1.26 -5.01 116.66 113.96 2qum n ARG 224 Ca 0.00 -1.96 -0.38 0.00 -1.00 0.00 0.00 57.85 54.52 2qum n ARG 224 Cb 0.00 -1.40 0.02 0.00 -1.05 0.00 0.00 32.46 30.03 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 -1.32 3.94 -1.18 2.89 1.43 -1.26 -4.87 118.68 118.31 2qum s LEU 225 Ca 0.29 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 55.77 2qum s LEU 225 Cb 0.18 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2qum s LEU 225 CO 0.25 -1.26 1.95 -0.81 0.23 0.00 0.00 176.35 176.70 2qum n PRO 226 N -0.73 2.31 -0.27 1.29 -0.04 -1.26 -4.81 135.00 131.49 2qum n PRO 226 Ca 0.09 -2.58 -0.02 0.00 -0.04 0.00 0.00 63.50 60.95 2qum n PRO 226 Cb 0.46 -3.37 0.15 0.00 -0.04 0.00 0.00 33.50 30.70 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 7.83 1.09 -0.74 0.54 4.06 -1.98 -0.98 115.95 125.77 2qum h TRP 227 Ca 0.41 -0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.40 2qum h TRP 227 Cb 0.79 -0.35 -0.06 0.00 -1.00 0.00 0.00 29.16 28.54 2qum h TRP 227 CO 1.34 0.76 0.44 -0.44 -3.56 0.00 0.00 178.44 176.97 2qum h ASP 228 N 1.12 0.66 -0.34 -3.49 3.32 -1.99 0.16 116.42 115.87 2qum h ASP 228 Ca 0.28 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 2qum h ASP 228 Cb 0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2qum h ASP 228 CO -0.04 0.42 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.61 2qum h GLU 229 N 0.80 0.82 0.74 3.56 4.81 -1.83 0.18 114.58 123.65 2qum h GLU 229 Ca 0.33 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2qum h GLU 229 Cb 0.19 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qum h GLU 229 CO -0.18 0.96 -0.35 0.82 -0.73 0.00 0.00 179.01 179.53 2qum h ILE 230 N 0.72 0.00 -0.07 2.32 2.04 -0.09 -1.98 117.51 120.45 2qum h ILE 230 Ca 0.10 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 2qum h ILE 230 Cb 0.74 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2qum h ILE 230 CO 0.06 0.00 -0.28 -0.26 0.00 0.00 0.00 178.15 177.66 2qum h PHE 231 N -1.20 0.15 -0.56 1.37 -1.00 -0.79 -1.96 116.94 112.94 2qum h PHE 231 Ca -0.10 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.60 2qum h PHE 231 Cb 0.76 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.25 2qum h PHE 231 CO 0.01 0.41 0.13 0.78 -1.61 0.00 0.00 178.31 178.03 2qum h GLY 232 N 0.96 0.93 1.53 -1.45 0.00 -0.65 -1.60 103.07 102.80 2qum h GLY 232 Ca 0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 2qum h GLY 232 CO 0.04 0.51 -0.63 0.00 0.00 0.00 0.00 176.54 176.46 2qum h ALA 233 N 1.31 0.66 -0.32 3.60 0.00 -0.79 -2.36 119.26 121.36 2qum h ALA 233 Ca 0.18 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2qum h ALA 233 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qum h ALA 233 CO -0.00 0.72 -0.22 -0.07 0.00 0.00 0.00 179.25 179.68 2qum h LEU 234 N 0.35 0.61 -0.23 0.00 3.38 -0.98 -2.66 115.31 115.79 2qum h LEU 234 Ca -0.01 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.56 2qum h LEU 234 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2qum h LEU 234 CO 0.11 0.83 -0.60 0.11 0.09 0.00 0.00 178.44 178.99 2qum h LYS 235 N 0.54 0.81 -0.76 1.13 1.57 -1.27 -1.03 116.57 117.56 2qum h LYS 235 Ca 0.08 -0.57 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2qum h LYS 235 Cb 0.68 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 2qum h LYS 235 CO 0.05 1.19 0.50 1.49 -0.57 0.00 0.00 179.45 182.11 2qum h GLU 236 N 0.56 0.75 -0.39 3.15 4.81 -1.23 0.52 114.58 122.76 2qum h GLU 236 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2qum h GLU 236 Cb 1.22 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2qum h GLU 236 CO 0.13 0.50 0.00 0.44 -0.73 0.00 0.00 179.01 179.35 2qum n ILE 237 N -4.49 0.51 -3.37 2.32 -5.35 -1.02 -4.95 119.36 103.02 2qum n ILE 237 Ca 0.12 -0.60 -0.24 0.00 -0.27 0.00 0.00 62.75 61.76 2qum n ILE 237 Cb 0.25 0.48 0.06 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.30 -0.54 3.66 3.28 0.00 0.17 -4.47 105.19 108.60 2qum n GLY 238 Ca 0.17 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.26 2.22 -0.25 1.61 6.04 -0.41 -4.86 117.35 118.44 2qum s TYR 239 Ca 0.47 0.41 0.03 0.00 0.04 0.00 0.00 57.07 58.02 2qum s TYR 239 Cb -0.21 -3.81 0.08 0.00 -1.04 0.00 0.00 41.96 36.98 2qum s TYR 239 CO 0.58 -3.28 1.05 -3.47 -1.54 0.00 0.00 175.55 168.90 2qum n ASP 240 N 6.93 2.22 -2.13 4.32 2.03 -1.26 -4.78 116.55 123.87 2qum n ASP 240 Ca 0.16 -1.97 0.00 0.00 0.52 0.00 0.00 54.79 53.50 2qum n ASP 240 Cb 0.43 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.22 -0.99 3.77 0.27 0.00 -1.26 -4.23 105.19 102.53 2qum n GLY 241 Ca 0.03 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.79 2.91 -0.04 2.61 -4.23 -1.26 -3.88 115.64 110.95 2qum s THR 242 Ca 0.00 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2qum s THR 242 Cb 0.00 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.45 2qum s THR 242 CO 0.00 0.05 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.49 2qum s ILE 243 N -1.40 0.35 -0.06 2.99 1.09 -0.47 -2.68 121.20 121.02 2qum s ILE 243 Ca 0.60 0.01 -0.00 0.00 -1.10 0.00 0.00 60.65 60.16 2qum s ILE 243 Cb -0.33 -0.43 0.03 0.00 -1.06 0.00 0.00 42.46 40.67 2qum s ILE 243 CO 0.41 0.20 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.74 2qum s VAL 244 N 1.14 0.41 0.16 2.92 1.01 -0.42 0.19 120.40 125.82 2qum s VAL 244 Ca -0.08 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2qum s VAL 244 Cb -0.14 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 2qum s VAL 244 CO -0.02 0.24 0.96 0.00 0.00 0.00 0.00 175.10 176.29 2qum s MET 245 N 1.55 4.75 -0.55 2.72 0.23 -0.55 -0.64 119.30 126.79 2qum s MET 245 Ca -0.01 1.49 0.07 0.00 -1.03 0.00 0.00 55.69 56.20 2qum s MET 245 Cb -0.13 -3.34 0.24 0.00 -1.53 0.00 0.00 34.83 30.08 2qum s MET 245 CO -0.03 0.31 0.65 -1.91 -2.03 0.00 0.00 175.02 172.01 2qum n GLU 246 N 2.31 1.83 -2.74 3.16 2.13 0.72 -2.01 120.64 126.04 2qum n GLU 246 Ca 0.01 -4.14 -0.42 0.00 0.66 0.00 0.00 57.16 53.27 2qum n GLU 246 Cb 0.48 -1.90 -0.03 0.00 0.27 0.00 0.00 31.44 30.27 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 -1.93 4.51 -0.41 5.31 0.02 -1.26 -4.82 135.00 136.40 2qum s PRO 247 Ca 0.37 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.78 2qum s PRO 247 Cb 0.14 -3.48 0.11 0.00 0.02 0.00 0.00 34.50 31.29 2qum s PRO 247 CO -0.06 -0.12 0.15 -0.06 -0.33 0.00 0.00 177.00 176.58 2qum s PHE 248 N 1.29 3.57 -0.33 6.54 0.08 -0.86 -4.65 117.98 123.62 2qum s PHE 248 Ca 0.49 -2.96 0.09 0.00 0.12 0.00 0.00 56.93 54.68 2qum s PHE 248 Cb -0.20 -2.96 -0.11 0.00 -0.57 0.00 0.00 43.02 39.18 2qum s PHE 248 CO 0.24 -0.89 0.34 -1.33 -0.10 0.00 0.00 175.22 173.48 2qum n MET 249 N 3.96 3.11 -4.47 0.44 2.81 -1.26 -4.79 117.12 116.92 2qum n MET 249 Ca 0.04 -0.02 -0.34 0.00 -1.81 0.00 0.00 57.70 55.56 2qum n MET 249 Cb 0.39 -1.00 -0.10 0.00 -0.71 0.00 0.00 33.22 31.80 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 -2.05 2.89 0.53 0.03 0.52 -1.26 -1.60 118.95 118.01 2qum s ARG 250 Ca 0.02 -0.46 0.09 0.00 -0.52 0.00 0.00 55.73 54.85 2qum s ARG 250 Cb 0.07 -2.71 0.06 0.00 0.52 0.00 0.00 34.95 32.88 2qum s ARG 250 CO 0.38 0.69 0.68 -1.59 0.02 0.00 0.00 175.30 175.48 2qum s LYS 251 N -0.86 2.44 0.00 3.54 -2.85 -1.26 -4.48 119.74 116.26 2qum s LYS 251 Ca 0.13 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 2qum s LYS 251 Cb -0.11 -2.61 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 2qum s LYS 251 CO 0.02 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 175.22 2qum n GLY 252 N -2.07 0.83 3.56 0.59 0.00 -1.26 -4.96 105.19 101.88 2qum n GLY 252 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 3.57 0.27 -0.02 0.00 -1.26 -4.99 105.19 100.76 2qum n GLY 253 Ca 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 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 1.20 0.59 -0.31 1.61 0.02 -1.71 -1.58 113.55 113.38 2qum h SER 254 Ca -0.41 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.33 2qum h SER 254 Cb 1.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2qum h SER 254 CO 0.68 0.72 -0.03 0.58 -1.14 0.00 0.00 176.83 177.64 2qum h VAL 255 N 0.57 1.27 -0.12 2.27 2.07 -1.57 -0.44 116.25 120.30 2qum h VAL 255 Ca 0.11 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.65 2qum h VAL 255 Cb 0.48 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2qum h VAL 255 CO 0.03 0.33 -0.21 0.28 0.02 0.00 0.00 177.57 178.02 2qum h SER 256 N 0.35 -0.65 -0.47 0.57 0.02 -1.61 -0.43 113.55 111.33 2qum h SER 256 Ca 0.08 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2qum h SER 256 Cb 0.50 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 2qum h SER 256 CO 0.02 -0.26 0.25 -0.09 -1.14 0.00 0.00 176.83 175.61 2qum h ARG 257 N -0.27 0.48 -0.32 3.45 2.43 -1.19 0.13 114.38 119.08 2qum h ARG 257 Ca 0.10 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2qum h ARG 257 Cb 0.41 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2qum h ARG 257 CO -0.28 0.31 0.21 0.00 -1.51 0.00 0.00 179.97 178.71 2qum h ALA 258 N 1.24 1.83 -0.40 2.80 0.00 -0.23 -2.84 119.26 121.66 2qum h ALA 258 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qum h ALA 258 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qum h ALA 258 CO -0.13 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.59 2qum n VAL 259 N -4.49 0.90 -2.29 0.00 0.24 -0.25 -5.00 118.33 107.43 2qum n VAL 259 Ca 0.02 -0.95 -0.08 0.00 -2.04 0.00 0.00 64.34 61.30 2qum n VAL 259 Cb 0.11 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 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 0.81 0.14 3.40 7.63 0.00 0.25 -4.99 105.19 112.43 2qum n GLY 260 Ca 0.14 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.52 4.70 -1.57 1.61 1.01 -0.08 -4.84 120.40 118.71 2qum s VAL 261 Ca 0.04 -0.91 0.18 0.00 0.00 0.00 0.00 61.98 61.29 2qum s VAL 261 Cb -0.02 -4.56 0.52 0.00 0.00 0.00 0.00 36.38 32.32 2qum s VAL 261 CO 0.05 -1.24 1.43 0.79 0.00 0.00 0.00 175.10 176.13 2qum n TRP 262 N 6.64 0.78 -3.57 5.22 5.03 -1.26 -4.34 117.44 125.94 2qum n TRP 262 Ca -0.05 -0.50 -0.11 0.00 3.03 0.00 0.00 57.50 59.87 2qum n TRP 262 Cb 0.44 -0.01 -0.04 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 -1.00 1.13 -0.09 -0.99 1.70 -1.26 -5.02 118.95 113.41 2qum s ARG 263 Ca 0.39 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 2qum s ARG 263 Cb 0.20 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 35.05 2qum s ARG 263 CO 0.27 -0.46 1.38 0.34 -1.08 0.00 0.00 175.30 175.75 2qum s ASP 264 N -2.75 6.87 0.00 -2.89 2.15 -1.26 -4.39 116.67 114.40 2qum s ASP 264 Ca 0.02 1.93 0.18 0.00 0.43 0.00 0.00 52.55 55.11 2qum s ASP 264 Cb 0.01 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2qum s ASP 264 CO -0.12 -0.77 0.94 0.23 -0.17 0.00 0.00 175.17 175.27 2qum n MET 265 N 6.32 1.54 0.00 4.34 2.81 -0.63 -4.44 117.12 127.06 2qum n MET 265 Ca 0.14 -0.90 0.12 0.00 -1.81 0.00 0.00 57.70 55.25 2qum n MET 265 Cb 0.44 -1.34 0.17 0.00 -0.71 0.00 0.00 33.22 31.78 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 -0.04 1.14 -3.30 7.83 3.41 -1.10 -4.96 113.62 116.59 2qum n SER 266 Ca 0.08 -0.91 -0.21 0.00 -0.26 0.00 0.00 58.87 57.57 2qum n SER 266 Cb 0.38 0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.85 -5.29 -1.99 4.04 4.05 -1.26 -2.17 115.26 111.79 2qum n ASN 267 Ca 0.09 -0.50 -0.20 0.00 0.45 0.00 0.00 54.58 54.41 2qum n ASN 267 Cb 0.37 -4.65 -0.05 0.00 1.23 0.00 0.00 39.78 36.68 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 -1.74 0.72 3.77 8.20 0.00 -1.26 -4.93 105.19 109.94 2qum n GLY 268 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2qum n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qum s ALA 269 N -2.84 3.58 0.90 4.61 0.00 -0.92 -5.01 121.76 122.07 2qum s ALA 269 Ca 0.00 1.43 -0.13 0.00 0.00 0.00 0.00 51.96 53.26 2qum s ALA 269 Cb 0.00 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.69 2qum s ALA 269 CO 0.00 -0.86 1.20 0.95 0.00 0.00 0.00 175.76 177.05 2qum s THR 270 N -0.80 1.98 0.44 0.00 -4.23 -1.26 -4.81 115.64 106.96 2qum s THR 270 Ca 0.54 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.25 2qum s THR 270 Cb -0.44 -2.90 0.23 0.00 1.34 0.00 0.00 72.50 70.73 2qum s THR 270 CO 0.55 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 177.09 2qum h ASP 271 N -1.41 0.00 0.68 3.99 3.45 -1.98 0.08 116.42 121.23 2qum h ASP 271 Ca -0.47 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 56.76 2qum h ASP 271 Cb 1.30 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.07 2qum h ASP 271 CO 0.56 0.16 -1.08 -0.33 -1.57 0.00 0.00 179.24 176.98 2qum h GLU 272 N 0.00 0.20 -0.04 3.56 3.07 -1.99 -1.02 114.58 118.37 2qum h GLU 272 Ca -0.00 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.36 58.46 2qum h GLU 272 Cb 0.32 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2qum h GLU 272 CO 0.02 1.10 -0.44 0.93 -1.40 0.00 0.00 179.01 179.22 2qum h GLU 273 N 0.08 0.08 -0.19 2.33 5.08 -1.70 -1.67 114.58 118.58 2qum h GLU 273 Ca -0.08 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 2qum h GLU 273 Cb 1.78 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2qum h GLU 273 CO 0.17 0.50 -0.37 0.52 -1.00 0.00 0.00 179.01 178.83 2qum h MET 274 N 0.07 0.59 -0.23 2.33 2.86 -0.87 -2.48 114.93 117.19 2qum h MET 274 Ca 0.00 -0.38 0.05 0.00 -2.06 0.00 0.00 59.70 57.32 2qum h MET 274 Cb 0.80 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 2qum h MET 274 CO 0.06 0.99 -0.13 -0.44 1.06 0.00 0.00 176.91 178.45 2qum h ASP 275 N 0.26 -0.42 -0.06 1.22 3.32 -0.76 -0.74 116.42 119.24 2qum h ASP 275 Ca 0.01 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2qum h ASP 275 Cb 0.97 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2qum h ASP 275 CO 0.08 -0.16 0.04 -0.08 -1.72 0.00 0.00 179.24 177.40 2qum h GLU 276 N -0.11 0.08 -0.19 3.56 4.57 -1.31 0.15 114.58 121.33 2qum h GLU 276 Ca 0.13 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2qum h GLU 276 Cb 0.30 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2qum h GLU 276 CO -0.30 0.06 0.13 0.00 -1.18 0.00 0.00 179.01 177.72 2qum h ARG 277 N 0.08 0.14 -0.32 1.92 3.08 -1.22 0.11 114.38 118.18 2qum h ARG 277 Ca 0.02 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 2qum h ARG 277 Cb -0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qum h ARG 277 CO -0.00 0.09 -0.47 0.00 -1.07 0.00 0.00 179.97 178.52 2qum h ALA 278 N 1.89 0.57 -0.65 0.04 0.00 -0.08 0.74 119.26 121.76 2qum h ALA 278 Ca 0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2qum h ALA 278 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qum h ALA 278 CO -0.01 0.68 0.14 0.00 0.00 0.00 0.00 179.25 180.06 2qum h ARG 279 N 0.68 1.04 -0.32 0.00 3.08 0.13 -0.78 114.38 118.21 2qum h ARG 279 Ca 0.04 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.70 2qum h ARG 279 Cb 1.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 2qum h ARG 279 CO 0.11 0.93 -0.34 -0.09 -1.07 0.00 0.00 179.97 179.50 2qum h ARG 280 N 0.99 0.79 -0.65 0.04 2.43 -0.65 -1.90 114.38 115.42 2qum h ARG 280 Ca 0.21 -0.43 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 2qum h ARG 280 Cb 0.37 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2qum h ARG 280 CO 0.00 1.06 0.15 1.03 -1.51 0.00 0.00 179.97 180.71 2qum h SER 281 N 0.56 0.97 -0.32 -3.80 0.87 -0.66 -0.53 113.55 110.65 2qum h SER 281 Ca 0.05 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2qum h SER 281 Cb 0.93 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2qum h SER 281 CO 0.08 0.94 0.07 0.25 -0.53 0.00 0.00 176.83 177.65 2qum h LEU 282 N 0.98 0.49 -1.22 2.23 5.85 -1.06 -1.12 115.31 121.46 2qum h LEU 282 Ca 0.21 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2qum h LEU 282 Cb 0.36 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2qum h LEU 282 CO 0.00 0.60 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.07 2qum h GLN 283 N 0.35 0.51 0.43 1.25 5.75 -1.15 -1.06 115.11 121.19 2qum h GLN 283 Ca 0.10 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2qum h GLN 283 Cb 0.30 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2qum h GLN 283 CO 0.00 0.55 -0.21 0.35 -2.65 0.00 0.00 178.83 176.88 2qum h PHE 284 N 0.48 -0.54 -0.14 3.99 3.57 -0.69 -1.96 116.94 121.65 2qum h PHE 284 Ca 0.10 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2qum h PHE 284 Cb 0.35 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2qum h PHE 284 CO 0.01 -0.32 -0.03 0.28 -2.23 0.00 0.00 178.31 176.02 2qum h VAL 285 N -0.60 0.86 -0.61 1.41 2.07 -0.84 -2.18 116.25 116.36 2qum h VAL 285 Ca -0.06 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2qum h VAL 285 Cb 0.46 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2qum h VAL 285 CO 0.10 0.00 0.40 0.03 0.02 0.00 0.00 177.57 178.12 2qum h ARG 286 N 0.01 0.71 -0.46 1.57 3.08 -1.19 0.44 114.38 118.54 2qum h ARG 286 Ca 0.07 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2qum h ARG 286 Cb 0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2qum h ARG 286 CO -0.14 0.47 0.19 -0.44 -1.07 0.00 0.00 179.97 178.98 2qum h ASP 287 N 0.73 0.63 0.47 7.04 3.45 -0.81 0.13 116.42 128.06 2qum h ASP 287 Ca 0.24 -0.16 -0.09 0.00 0.43 0.00 0.00 57.03 57.45 2qum h ASP 287 Cb 0.05 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 2qum h ASP 287 CO -0.06 0.62 -0.43 0.11 -1.57 0.00 0.00 179.24 177.91 2qum h LYS 288 N 0.61 0.00 -0.02 3.56 1.79 -0.75 -2.61 116.57 119.14 2qum h LYS 288 Ca 0.16 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.46 2qum h LYS 288 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2qum h LYS 288 CO -0.01 0.43 -0.73 1.25 -1.08 0.00 0.00 179.45 179.31 2qum h LEU 289 N 0.00 0.16 0.00 2.94 5.85 -0.39 -3.46 115.31 120.40 2qum h LEU 289 Ca -0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2qum h LEU 289 Cb 0.78 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2qum h LEU 289 CO 0.06 0.83 0.00 0.00 -0.34 0.00 0.00 178.44 178.99