#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlb n TYR 58 N 0.00 0.10 -4.41 -1.42 4.01 -1.26 -4.99 117.16 109.19 2qlb n TYR 58 Ca 0.00 -0.11 -0.26 0.00 -0.16 0.00 0.00 57.90 57.36 2qlb n TYR 58 Cb 0.00 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 38.89 2qlb n TYR 58 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2qlb s GLN 59 N -0.92 1.30 0.31 -0.72 -0.21 -1.26 -5.11 119.66 113.05 2qlb s GLN 59 Ca 0.15 -1.19 -0.29 0.00 0.02 0.00 0.00 55.36 54.04 2qlb s GLN 59 Cb 0.10 -1.62 -0.10 0.00 1.00 0.00 0.00 33.01 32.39 2qlb s GLN 59 CO 0.14 0.39 1.25 0.71 -2.12 0.00 0.00 175.29 175.66 2qlb s TYR 60 N -1.05 3.20 -0.09 0.91 2.02 -1.26 -4.94 117.35 116.14 2qlb s TYR 60 Ca 0.09 1.47 -0.30 0.00 -0.37 0.00 0.00 57.07 57.97 2qlb s TYR 60 Cb -0.10 -3.57 -0.04 0.00 -0.40 0.00 0.00 41.96 37.85 2qlb s TYR 60 CO 0.04 -1.53 1.40 1.21 -1.57 0.00 0.00 175.55 175.11 2qlb s ASN 61 N -0.51 6.85 0.00 2.29 2.47 -1.26 -4.88 114.94 119.90 2qlb s ASN 61 Ca 0.48 1.96 0.14 0.00 0.42 0.00 0.00 52.86 55.86 2qlb s ASN 61 Cb -0.37 -2.54 0.31 0.00 -1.45 0.00 0.00 41.25 37.19 2qlb s ASN 61 CO 0.49 -0.78 1.22 0.23 -3.72 0.00 0.00 177.10 174.53 2qlb n MET 62 N 6.35 2.27 -1.80 0.43 2.81 -1.26 -4.83 117.12 121.08 2qlb n MET 62 Ca 0.14 -1.95 -0.42 0.00 -1.81 0.00 0.00 57.70 53.66 2qlb n MET 62 Cb 0.44 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 2qlb n MET 62 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qlb n ASN 63 N 0.82 3.99 -4.45 7.83 5.15 -1.26 -4.87 115.26 122.47 2qlb n ASN 63 Ca 0.13 -2.86 -0.22 0.00 -0.60 0.00 0.00 54.58 51.03 2qlb n ASN 63 Cb 0.44 -1.65 -0.11 0.00 -0.53 0.00 0.00 39.78 37.94 2qlb n ASN 63 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2qlb s PHE 64 N 3.05 1.98 0.19 1.20 0.08 -1.26 -5.06 117.98 118.16 2qlb s PHE 64 Ca 0.47 -0.96 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 2qlb s PHE 64 Cb 0.13 -1.29 0.11 0.00 -0.57 0.00 0.00 43.02 41.40 2qlb s PHE 64 CO -0.08 0.01 1.55 0.93 -0.10 0.00 0.00 175.22 177.54 2qlb h GLU 65 N 2.10 0.74 -6.39 0.44 5.08 -1.84 -3.45 114.58 111.25 2qlb h GLU 65 Ca -0.41 -0.37 -0.60 0.00 -1.00 0.00 0.00 59.36 56.98 2qlb h GLU 65 Cb 1.24 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.27 2qlb h GLU 65 CO 0.70 0.99 -0.84 0.15 -1.00 0.00 0.00 179.01 179.00 2qlb s LYS 66 N -4.35 1.26 0.04 2.33 1.02 -0.40 -5.03 119.74 114.62 2qlb s LYS 66 Ca -0.09 -1.19 -0.19 0.00 0.02 0.00 0.00 55.97 54.53 2qlb s LYS 66 Cb 0.12 -1.58 -0.16 0.00 -0.52 0.00 0.00 37.83 35.69 2qlb s LYS 66 CO 0.85 0.37 1.26 1.25 -0.92 0.00 0.00 175.35 178.17 2qlb h LEU 67 N 4.15 0.54 0.00 3.17 5.85 -1.85 -1.25 115.31 125.91 2qlb h LEU 67 Ca -0.47 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.66 2qlb h LEU 67 Cb 1.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2qlb h LEU 67 CO 0.40 1.04 0.00 0.61 -0.34 0.00 0.00 178.44 180.15 2qlb n GLY 68 N 0.54 1.27 3.83 3.75 0.00 -1.26 -1.00 105.19 112.32 2qlb n GLY 68 Ca -0.07 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2qlb n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qlb s LYS 69 N -1.56 4.13 -0.13 1.61 2.20 -1.26 -1.05 119.74 123.68 2qlb s LYS 69 Ca 0.00 0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 56.30 2qlb s LYS 69 Cb 0.00 -2.89 0.04 0.00 -1.51 0.00 0.00 37.83 33.47 2qlb s LYS 69 CO 0.00 0.42 -0.02 0.00 -0.36 0.00 0.00 175.35 175.40 2qlb s ILE 71 N 1.80 5.09 -0.21 0.00 1.01 -0.31 -2.16 121.20 126.41 2qlb s ILE 71 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 2qlb s ILE 71 Cb -0.14 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.99 2qlb s ILE 71 CO -0.07 0.37 -0.11 -0.63 0.00 0.00 0.00 174.94 174.51 2qlb s ILE 72 N 0.95 2.71 -0.41 2.92 1.01 -0.84 0.13 121.20 127.68 2qlb s ILE 72 Ca 0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2qlb s ILE 72 Cb -0.13 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.13 2qlb s ILE 72 CO 0.03 0.39 0.27 -0.63 0.00 0.00 0.00 174.94 175.00 2qlb s ILE 73 N 1.36 4.61 -0.62 2.92 1.01 -0.11 -0.90 121.20 129.47 2qlb s ILE 73 Ca 0.03 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 2qlb s ILE 73 Cb -0.15 -3.70 0.16 0.00 0.01 0.00 0.00 42.46 38.78 2qlb s ILE 73 CO -0.07 -0.41 0.52 0.21 0.00 0.00 0.00 174.94 175.18 2qlb s ASN 74 N 1.97 6.00 -0.41 3.58 2.47 0.15 -1.28 114.94 127.43 2qlb s ASN 74 Ca 0.03 -2.33 -0.17 0.00 0.42 0.00 0.00 52.86 50.81 2qlb s ASN 74 Cb -0.22 -2.07 0.02 0.00 -1.45 0.00 0.00 41.25 37.53 2qlb s ASN 74 CO 0.05 -0.61 0.41 0.20 -3.72 0.00 0.00 177.10 173.42 2qlb s ASN 75 N 2.24 6.18 -0.15 -4.21 0.01 -0.85 -1.80 114.94 116.36 2qlb s ASN 75 Ca 0.11 -0.62 -0.00 0.00 -0.71 0.00 0.00 52.86 51.64 2qlb s ASN 75 Cb -0.21 -2.21 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 2qlb s ASN 75 CO -0.03 -0.52 -0.14 1.17 -1.51 0.00 0.00 177.10 176.07 2qlb n LYS 76 N 5.51 0.36 -4.45 -0.60 4.81 -1.26 -4.55 118.16 117.97 2qlb n LYS 76 Ca -0.08 0.09 -0.34 0.00 -0.87 0.00 0.00 58.31 57.11 2qlb n LYS 76 Cb 0.48 -1.26 -0.11 0.00 0.02 0.00 0.00 35.03 34.16 2qlb n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2qlb s ASN 77 N -5.54 4.88 0.19 3.14 0.01 -1.26 -1.75 114.94 114.60 2qlb s ASN 77 Ca -0.20 -0.03 0.10 0.00 -0.71 0.00 0.00 52.86 52.01 2qlb s ASN 77 Cb 0.05 -1.56 -0.04 0.00 0.41 0.00 0.00 41.25 40.11 2qlb s ASN 77 CO 0.33 0.27 -0.20 -0.36 -1.51 0.00 0.00 177.10 175.63 2qlb s PHE 78 N -0.23 1.99 0.30 2.20 0.40 -1.26 -4.73 117.98 116.66 2qlb s PHE 78 Ca 0.04 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.65 2qlb s PHE 78 Cb -0.13 -0.97 -0.10 0.00 0.51 0.00 0.00 43.02 42.33 2qlb s PHE 78 CO 0.02 0.42 1.29 -0.51 0.70 0.00 0.00 175.22 177.15 2qlb s ASP 79 N -2.81 6.84 0.53 1.36 1.01 0.26 -4.90 116.67 118.96 2qlb s ASP 79 Ca 0.19 2.60 0.29 0.00 0.71 0.00 0.00 52.55 56.34 2qlb s ASP 79 Cb -0.06 -2.64 1.44 0.00 1.01 0.00 0.00 42.92 42.67 2qlb s ASP 79 CO 0.08 -0.50 1.92 0.11 0.21 0.00 0.00 175.17 176.99 2qlb h LYS 80 N 3.83 0.02 -0.03 8.23 6.56 -1.90 0.52 116.57 133.79 2qlb h LYS 80 Ca -0.48 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.09 2qlb h LYS 80 Cb 1.22 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2qlb h LYS 80 CO 0.68 0.01 -0.06 -0.39 -2.06 0.00 0.00 179.45 177.63 2qlb h VAL 81 N 0.02 1.06 0.00 0.50 -1.51 -1.94 -1.87 116.25 112.51 2qlb h VAL 81 Ca 0.38 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 65.44 2qlb h VAL 81 Cb 1.48 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.74 2qlb h VAL 81 CO -0.01 0.09 -0.54 0.71 -1.23 0.00 0.00 177.57 176.59 2qlb h THR 82 N 0.04 1.16 0.00 7.19 1.35 -1.21 -3.47 112.91 117.97 2qlb h THR 82 Ca 0.01 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 2qlb h THR 82 Cb 0.14 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2qlb h THR 82 CO 0.01 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2qlb n GLY 83 N 0.46 0.65 3.82 5.82 0.00 -0.70 -5.02 105.19 110.21 2qlb n GLY 83 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2qlb n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qlb s MET 84 N -0.13 4.16 0.72 1.61 -1.94 -1.26 -5.08 119.30 117.37 2qlb s MET 84 Ca 0.00 0.69 -0.07 0.00 -1.71 0.00 0.00 55.69 54.60 2qlb s MET 84 Cb 0.00 -3.22 0.07 0.00 2.01 0.00 0.00 34.83 33.69 2qlb s MET 84 CO 0.00 0.64 1.04 0.20 -0.01 0.00 0.00 175.02 176.89 2qlb s GLY 85 N -1.14 1.69 0.23 -0.03 0.00 -1.26 -4.59 107.32 102.22 2qlb s GLY 85 Ca 0.29 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 2qlb s GLY 85 CO 0.18 -0.51 1.37 0.14 0.00 0.00 0.00 173.10 174.29 2qlb s VAL 86 N -3.29 2.91 -1.18 1.40 1.01 -1.26 -4.73 120.40 115.26 2qlb s VAL 86 Ca 0.61 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.26 2qlb s VAL 86 Cb -0.10 -3.49 0.23 0.00 0.00 0.00 0.00 36.38 33.02 2qlb s VAL 86 CO 0.45 0.12 1.47 0.54 0.00 0.00 0.00 175.10 177.68 2qlb n ARG 87 N 2.38 3.71 -1.80 2.72 1.74 -0.72 -5.02 116.66 119.68 2qlb n ARG 87 Ca 0.06 -4.09 -0.40 0.00 -0.77 0.00 0.00 57.85 52.66 2qlb n ARG 87 Cb 0.41 -2.77 0.01 0.00 -1.02 0.00 0.00 32.46 29.09 2qlb n ARG 87 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2qlb s ASN 88 N 1.00 5.96 0.00 0.55 0.01 -1.26 -2.41 114.94 118.79 2qlb s ASN 88 Ca 0.36 2.95 0.00 0.00 -0.71 0.00 0.00 52.86 55.47 2qlb s ASN 88 Cb -0.00 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 39.00 2qlb s ASN 88 CO 0.00 -1.12 0.00 0.61 -1.51 0.00 0.00 177.10 175.08 2qlb n GLY 89 N 0.55 3.29 0.27 0.66 0.00 -1.26 -4.92 105.19 103.78 2qlb n GLY 89 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 2qlb n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlb h THR 90 N 0.00 0.00 0.01 2.61 1.03 -1.89 -2.10 112.91 112.57 2qlb h THR 90 Ca 0.00 -0.34 -0.19 0.00 -0.01 0.00 0.00 66.41 65.87 2qlb h THR 90 Cb 0.00 1.29 -0.02 0.00 -1.07 0.00 0.00 68.15 68.35 2qlb h THR 90 CO 0.00 0.00 -0.89 0.44 -0.01 0.00 0.00 175.52 175.06 2qlb h ASP 91 N 0.00 0.09 -0.41 0.00 3.32 -1.91 -1.45 116.42 116.06 2qlb h ASP 91 Ca 0.00 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 2qlb h ASP 91 Cb 0.36 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2qlb h ASP 91 CO 0.00 0.93 -0.05 0.11 -1.72 0.00 0.00 179.24 178.51 2qlb h LYS 92 N 0.03 0.76 -0.01 3.56 1.57 -1.81 -1.77 116.57 118.90 2qlb h LYS 92 Ca -0.02 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2qlb h LYS 92 Cb 1.55 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 2qlb h LYS 92 CO 0.12 0.87 0.01 -0.44 -0.57 0.00 0.00 179.45 179.44 2qlb h ASP 93 N 0.59 0.02 -0.47 0.86 3.32 -1.43 -1.26 116.42 118.05 2qlb h ASP 93 Ca 0.11 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.09 2qlb h ASP 93 Cb 0.56 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 2qlb h ASP 93 CO 0.03 0.13 0.22 0.00 -1.72 0.00 0.00 179.24 177.91 2qlb h ALA 94 N 0.88 0.60 -0.57 3.45 0.00 -1.19 0.27 119.26 122.69 2qlb h ALA 94 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2qlb h ALA 94 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qlb h ALA 94 CO -0.00 -0.14 0.02 1.49 0.00 0.00 0.00 179.25 180.62 2qlb h GLU 95 N 0.44 0.98 -0.33 0.00 4.81 -1.25 0.91 114.58 120.14 2qlb h GLU 95 Ca 0.21 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2qlb h GLU 95 Cb 0.15 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2qlb h GLU 95 CO -0.17 0.95 0.06 0.00 -0.73 0.00 0.00 179.01 179.12 2qlb h ALA 96 N 1.11 0.43 -0.67 2.92 0.00 -0.51 -2.38 119.26 120.16 2qlb h ALA 96 Ca 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2qlb h ALA 96 Cb 0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2qlb h ALA 96 CO 0.02 0.12 0.17 -0.07 0.00 0.00 0.00 179.25 179.50 2qlb h LEU 97 N 0.37 1.00 -0.06 0.00 3.38 -0.28 -1.87 115.31 117.84 2qlb h LEU 97 Ca 0.10 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2qlb h LEU 97 Cb 0.34 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2qlb h LEU 97 CO 0.01 0.95 -0.08 0.15 0.09 0.00 0.00 178.44 179.55 2qlb h PHE 98 N 1.01 -0.21 -0.41 1.13 3.57 -0.61 -0.58 116.94 120.83 2qlb h PHE 98 Ca 0.21 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2qlb h PHE 98 Cb 0.34 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2qlb h PHE 98 CO 0.03 -0.13 0.04 0.87 -2.23 0.00 0.00 178.31 176.89 2qlb h LYS 99 N -0.12 0.70 0.61 1.11 1.57 -1.29 -1.60 116.57 117.55 2qlb h LYS 99 Ca 0.06 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2qlb h LYS 99 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2qlb h LYS 99 CO -0.13 0.76 -0.32 0.00 -0.57 0.00 0.00 179.45 179.18 2qlb h PHE 101 N -0.86 0.00 -0.31 0.00 -1.00 -1.16 -1.89 116.94 111.72 2qlb h PHE 101 Ca -0.08 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.60 2qlb h PHE 101 Cb 0.67 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 2qlb h PHE 101 CO -0.05 0.18 -0.18 -0.09 -1.61 0.00 0.00 178.31 176.55 2qlb h ARG 102 N 0.00 0.67 -0.90 1.51 9.65 -1.08 -1.83 114.38 122.40 2qlb h ARG 102 Ca -0.00 -0.31 0.04 0.00 -1.10 0.00 0.00 59.98 58.61 2qlb h ARG 102 Cb 0.33 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.85 2qlb h ARG 102 CO 0.02 0.90 0.59 0.77 2.80 0.00 0.00 179.97 185.05 2qlb h SER 103 N 0.43 0.95 0.40 -3.80 0.02 -0.35 -0.42 113.55 110.78 2qlb h SER 103 Ca 0.07 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2qlb h SER 103 Cb 0.72 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2qlb h SER 103 CO 0.05 0.65 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.12 2qlb h LEU 104 N 1.10 0.00 0.00 5.07 3.38 -1.21 -3.46 115.31 120.19 2qlb h LEU 104 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2qlb h LEU 104 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qlb h LEU 104 CO -0.11 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2qlb n GLY 105 N -0.59 0.93 3.78 0.83 0.00 -0.17 -5.02 105.19 104.96 2qlb n GLY 105 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qlb n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qlb s PHE 106 N -1.85 2.96 -0.73 1.61 0.08 -0.71 -4.32 117.98 115.02 2qlb s PHE 106 Ca 0.00 1.58 -0.17 0.00 0.12 0.00 0.00 56.93 58.46 2qlb s PHE 106 Cb 0.00 -3.18 0.15 0.00 -0.57 0.00 0.00 43.02 39.42 2qlb s PHE 106 CO 0.00 -1.06 0.79 -0.51 -0.10 0.00 0.00 175.22 174.34 2qlb s ASP 107 N -1.74 6.45 0.11 1.36 1.01 -0.22 -4.41 116.67 119.23 2qlb s ASP 107 Ca 0.66 -1.98 -0.07 0.00 0.71 0.00 0.00 52.55 51.87 2qlb s ASP 107 Cb -0.21 -2.28 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 2qlb s ASP 107 CO 0.25 -0.91 0.38 0.54 0.21 0.00 0.00 175.17 175.64 2qlb s VAL 108 N 1.80 5.15 -0.02 -1.27 0.11 -1.26 -1.84 120.40 123.07 2qlb s VAL 108 Ca 0.17 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.40 2qlb s VAL 108 Cb -0.17 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.08 2qlb s VAL 108 CO -0.02 0.14 0.04 -0.63 -3.33 0.00 0.00 175.10 171.30 2qlb s ILE 109 N -1.55 -0.03 -0.17 7.04 1.01 -0.92 -4.98 121.20 121.61 2qlb s ILE 109 Ca 0.37 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 2qlb s ILE 109 Cb -0.13 -0.07 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 2qlb s ILE 109 CO 0.22 0.05 -0.01 -0.69 0.00 0.00 0.00 174.94 174.50 2qlb s VAL 110 N 0.62 4.07 -0.15 2.92 1.01 -1.26 -1.98 120.40 125.63 2qlb s VAL 110 Ca -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2qlb s VAL 110 Cb -0.07 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2qlb s VAL 110 CO -0.02 0.48 -0.11 -0.31 0.00 0.00 0.00 175.10 175.14 2qlb s TYR 111 N 0.46 2.86 0.03 5.22 2.02 -0.08 -5.00 117.35 122.86 2qlb s TYR 111 Ca -0.02 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 2qlb s TYR 111 Cb -0.14 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2qlb s TYR 111 CO 0.02 -0.26 0.10 -0.80 -1.57 0.00 0.00 175.55 173.04 2qlb s ASN 112 N 0.55 5.73 -0.98 2.29 0.01 -1.26 -0.67 114.94 120.62 2qlb s ASN 112 Ca -0.07 0.11 -0.18 0.00 -0.71 0.00 0.00 52.86 52.01 2qlb s ASN 112 Cb -0.15 -1.63 0.02 0.00 0.41 0.00 0.00 41.25 39.90 2qlb s ASN 112 CO 0.03 0.22 0.61 0.47 -1.51 0.00 0.00 177.10 176.92 2qlb n ASP 113 N 0.81 -4.16 -4.82 -1.22 8.00 -0.75 -4.92 116.55 109.49 2qlb n ASP 113 Ca -0.10 -1.10 -0.36 0.00 0.71 0.00 0.00 54.79 53.94 2qlb n ASP 113 Cb 0.52 -1.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.07 2qlb n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qlb s SER 115 N -1.71 4.90 0.23 0.00 1.04 -1.26 -0.71 113.70 116.19 2qlb s SER 115 Ca 0.43 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 2qlb s SER 115 Cb -0.16 -1.16 0.20 0.00 0.10 0.00 0.00 66.02 64.99 2qlb s SER 115 CO 0.20 -1.54 1.87 0.00 0.98 0.00 0.00 173.24 174.75 2qlb h ALA 117 N 1.28 0.89 -0.54 0.00 0.00 -1.99 -1.89 119.26 117.00 2qlb h ALA 117 Ca 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qlb h ALA 117 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qlb h ALA 117 CO -0.06 0.67 0.24 -0.22 0.00 0.00 0.00 179.25 179.89 2qlb h LYS 118 N 1.01 0.79 -0.53 0.00 1.63 -1.81 -0.37 116.57 117.30 2qlb h LYS 118 Ca 0.19 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2qlb h LYS 118 Cb 0.49 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 2qlb h LYS 118 CO 0.02 0.67 0.24 0.52 -3.45 0.00 0.00 179.45 177.45 2qlb h MET 119 N 0.73 0.78 -0.47 1.90 2.86 -0.99 0.13 114.93 119.87 2qlb h MET 119 Ca 0.18 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2qlb h MET 119 Cb 0.15 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2qlb h MET 119 CO -0.02 0.66 0.16 1.96 1.06 0.00 0.00 176.91 180.73 2qlb h GLN 120 N 0.72 0.73 -0.34 1.72 1.08 -1.11 -1.68 115.11 116.23 2qlb h GLN 120 Ca 0.18 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 2qlb h GLN 120 Cb 0.16 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2qlb h GLN 120 CO -0.02 0.68 -0.22 0.22 -0.95 0.00 0.00 178.83 178.55 2qlb h ASP 121 N 0.63 0.66 0.15 1.46 3.58 -0.86 -0.21 116.42 121.83 2qlb h ASP 121 Ca 0.15 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2qlb h ASP 121 Cb 0.25 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2qlb h ASP 121 CO -0.01 0.87 -0.07 0.25 -2.88 0.00 0.00 179.24 177.40 2qlb h LEU 122 N 0.58 -0.17 -0.58 2.28 5.85 -0.45 -0.49 115.31 122.32 2qlb h LEU 122 Ca 0.08 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 2qlb h LEU 122 Cb 0.69 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2qlb h LEU 122 CO 0.05 -0.09 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.62 2qlb h LEU 123 N -0.23 0.77 0.17 2.25 -0.00 -1.22 -2.40 115.31 114.64 2qlb h LEU 123 Ca -0.02 -0.34 -0.01 0.00 -0.00 0.00 0.00 57.88 57.52 2qlb h LEU 123 Cb 0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2qlb h LEU 123 CO 0.03 1.06 -0.08 0.50 -0.00 0.00 0.00 178.44 179.95 2qlb h LYS 124 N 0.60 -0.22 -1.00 1.13 3.64 -0.92 -1.78 116.57 118.02 2qlb h LYS 124 Ca 0.06 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2qlb h LYS 124 Cb 0.91 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.72 2qlb h LYS 124 CO 0.08 -0.07 0.66 0.87 -2.27 0.00 0.00 179.45 178.71 2qlb h LYS 125 N -0.31 1.23 -0.74 1.90 1.79 -1.08 -1.99 116.57 117.37 2qlb h LYS 125 Ca -0.02 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2qlb h LYS 125 Cb 0.24 -0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2qlb h LYS 125 CO 0.04 0.81 0.29 0.00 -1.08 0.00 0.00 179.45 179.51 2qlb h ALA 126 N 1.42 1.12 0.00 3.86 0.00 -1.25 -1.92 119.26 122.49 2qlb h ALA 126 Ca 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qlb h ALA 126 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2qlb h ALA 126 CO -0.12 0.63 0.00 0.66 0.00 0.00 0.00 179.25 180.41 2qlb h SER 127 N 1.07 0.00 0.08 0.00 4.64 -0.62 -2.75 113.55 115.97 2qlb h SER 127 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2qlb h SER 127 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2qlb h SER 127 CO -0.02 0.00 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.20 2qlb n GLU 128 N -2.92 1.40 -1.77 4.77 1.02 -0.74 -4.71 120.64 117.69 2qlb n GLU 128 Ca 0.01 -0.88 -0.29 0.00 -0.02 0.00 0.00 57.16 55.98 2qlb n GLU 128 Cb 0.33 -1.48 0.13 0.00 -0.02 0.00 0.00 31.44 30.39 2qlb n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2qlb s GLU 129 N -2.21 1.31 -0.48 3.49 2.02 -1.04 -5.01 118.70 116.78 2qlb s GLU 129 Ca 0.31 0.04 -0.15 0.00 0.02 0.00 0.00 54.97 55.19 2qlb s GLU 129 Cb 0.20 -1.88 0.08 0.00 0.10 0.00 0.00 34.13 32.63 2qlb s GLU 129 CO 0.41 -2.03 0.41 0.34 0.02 0.00 0.00 175.26 174.41 2qlb s ASP 130 N -4.46 6.15 -0.10 -0.19 2.15 -1.26 -4.90 116.67 114.05 2qlb s ASP 130 Ca 0.65 -1.38 0.11 0.00 0.43 0.00 0.00 52.55 52.36 2qlb s ASP 130 Cb -0.10 -2.18 0.50 0.00 -0.30 0.00 0.00 42.92 40.83 2qlb s ASP 130 CO 0.51 -0.67 1.33 1.41 -0.17 0.00 0.00 175.17 177.58 2qlb n HIS 131 N 5.21 1.13 -0.32 -5.34 8.25 -1.26 -4.51 115.22 118.36 2qlb n HIS 131 Ca -0.13 -0.42 0.20 0.00 -0.26 0.00 0.00 57.72 57.11 2qlb n HIS 131 Cb 0.43 -0.25 0.46 0.00 1.12 0.00 0.00 29.99 31.76 2qlb n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2qlb h THR 132 N 2.69 0.56 -0.58 1.59 2.02 -1.91 -0.39 112.91 116.89 2qlb h THR 132 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2qlb h THR 132 Cb 1.20 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2qlb h THR 132 CO 0.22 0.09 0.00 0.59 0.37 0.00 0.00 175.52 176.78 2qlb n ASN 133 N -4.68 4.82 -4.63 4.18 3.02 -1.26 -4.95 115.26 111.76 2qlb n ASN 133 Ca 0.25 -2.59 -0.30 0.00 -0.03 0.00 0.00 54.58 51.90 2qlb n ASN 133 Cb 0.80 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 39.30 2qlb n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qlb s ALA 134 N -2.11 3.13 0.05 5.41 0.00 -0.16 -1.27 121.76 126.82 2qlb s ALA 134 Ca 0.50 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2qlb s ALA 134 Cb 0.34 -1.09 -0.23 0.00 0.00 0.00 0.00 23.12 22.14 2qlb s ALA 134 CO 0.21 0.66 1.04 0.00 0.00 0.00 0.00 175.76 177.67 2qlb h ALA 135 N 3.73 0.45 -1.85 0.00 0.00 -0.61 -3.48 119.26 117.51 2qlb h ALA 135 Ca -0.48 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.33 2qlb h ALA 135 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qlb h ALA 135 CO 0.56 1.32 0.00 0.00 0.00 0.00 0.00 179.25 181.13 2qlb s PHE 137 N -7.84 -0.04 -0.00 0.00 5.36 -0.98 -4.00 117.98 110.46 2qlb s PHE 137 Ca 0.00 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 2qlb s PHE 137 Cb 0.00 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.67 2qlb s PHE 137 CO 0.00 -0.12 -0.06 0.00 -1.46 0.00 0.00 175.22 173.58 2qlb s ALA 138 N -0.42 0.49 -0.04 11.12 0.00 -0.57 -0.60 121.76 131.75 2qlb s ALA 138 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2qlb s ALA 138 Cb -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.00 2qlb s ALA 138 CO 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 175.76 175.87 2qlb s ILE 140 N 1.16 2.61 -0.18 0.00 1.01 0.12 -0.79 121.20 125.13 2qlb s ILE 140 Ca -0.08 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 2qlb s ILE 140 Cb -0.13 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.28 2qlb s ILE 140 CO -0.02 0.54 -0.15 -0.76 0.00 0.00 0.00 174.94 174.54 2qlb s LEU 141 N 0.45 2.38 -0.22 2.97 1.43 0.04 -0.93 118.68 124.81 2qlb s LEU 141 Ca -0.12 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2qlb s LEU 141 Cb -0.16 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2qlb s LEU 141 CO 0.05 0.02 -0.15 -0.76 0.23 0.00 0.00 176.35 175.74 2qlb s LEU 142 N 1.20 2.74 0.00 1.79 1.43 -0.41 -0.95 118.68 124.48 2qlb s LEU 142 Ca 0.02 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.13 2qlb s LEU 142 Cb -0.14 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2qlb s LEU 142 CO -0.07 -0.09 0.11 -0.24 0.23 0.00 0.00 176.35 176.29 2qlb n SER 143 N 4.55 -0.10 -4.89 2.29 2.88 -0.81 -2.02 113.62 115.52 2qlb n SER 143 Ca -0.18 -1.01 -0.29 0.00 -1.33 0.00 0.00 58.87 56.06 2qlb n SER 143 Cb 0.47 0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 64.06 2qlb n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2qlb s HIS 144 N -2.62 3.52 0.20 0.66 3.76 -1.26 -4.10 115.29 115.45 2qlb s HIS 144 Ca 0.03 0.94 -0.22 0.00 -0.15 0.00 0.00 55.06 55.66 2qlb s HIS 144 Cb -0.00 -2.38 0.07 0.00 1.11 0.00 0.00 32.58 31.38 2qlb s HIS 144 CO -0.00 -0.21 1.00 0.20 -0.85 0.00 0.00 174.74 174.87 2qlb s GLY 145 N -3.65 0.07 0.25 -2.22 0.00 -1.26 -0.28 107.32 100.23 2qlb s GLY 145 Ca 0.49 -0.29 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 2qlb s GLY 145 CO 0.39 1.65 0.34 -0.54 0.00 0.00 0.00 173.10 174.94 2qlb s GLU 146 N -2.40 1.48 -0.36 2.90 2.02 -0.72 -4.10 118.70 117.52 2qlb s GLU 146 Ca 0.19 -1.49 -0.42 0.00 0.02 0.00 0.00 54.97 53.27 2qlb s GLU 146 Cb -0.03 0.39 -0.17 0.00 0.10 0.00 0.00 34.13 34.42 2qlb s GLU 146 CO 0.05 -0.57 1.76 -1.91 0.02 0.00 0.00 175.26 174.60 2qlb n GLU 147 N -0.38 0.76 -0.40 1.61 4.07 -1.17 -0.71 120.64 124.42 2qlb n GLU 147 Ca 0.00 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 2qlb n GLU 147 Cb 0.63 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 2qlb n GLU 147 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2qlb n ASN 148 N 5.38 0.00 -4.22 4.31 5.03 -1.26 -4.98 115.26 119.52 2qlb n ASN 148 Ca 0.30 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.60 2qlb n ASN 148 Cb 0.07 -0.62 -0.11 0.00 -1.02 0.00 0.00 39.78 38.10 2qlb n ASN 148 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2qlb s VAL 149 N -2.69 1.10 0.03 2.41 -7.23 0.11 -1.51 120.40 112.61 2qlb s VAL 149 Ca 0.00 -1.81 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2qlb s VAL 149 Cb 0.00 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 2qlb s VAL 149 CO 0.00 -0.60 -0.15 -0.51 -0.31 0.00 0.00 175.10 173.53 2qlb s ILE 150 N -2.72 1.20 0.21 -0.62 2.07 -0.62 -1.76 121.20 118.96 2qlb s ILE 150 Ca 0.10 -0.96 -0.26 0.00 -1.41 0.00 0.00 60.65 58.12 2qlb s ILE 150 Cb -0.01 -1.06 -0.08 0.00 0.13 0.00 0.00 42.46 41.43 2qlb s ILE 150 CO 0.01 0.09 0.83 -0.31 -1.91 0.00 0.00 174.94 173.65 2qlb s TYR 151 N -0.75 3.88 0.57 3.50 1.51 0.61 -1.59 117.35 125.08 2qlb s TYR 151 Ca 0.03 1.70 0.08 0.00 -1.01 0.00 0.00 57.07 57.87 2qlb s TYR 151 Cb -0.08 -2.82 0.07 0.00 -0.11 0.00 0.00 41.96 39.02 2qlb s TYR 151 CO 0.01 0.45 0.61 0.20 -1.11 0.00 0.00 175.55 175.71 2qlb s GLY 152 N -1.26 2.05 0.55 0.71 0.00 0.47 -4.61 107.32 105.22 2qlb s GLY 152 Ca 0.39 -1.69 0.32 0.00 0.00 0.00 0.00 44.72 43.75 2qlb s GLY 152 CO 0.27 -1.83 2.05 0.07 0.00 0.00 0.00 173.10 173.66 2qlb h LYS 153 N 0.43 0.00 -0.04 2.90 2.10 -1.21 -3.11 116.57 117.64 2qlb h LYS 153 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2qlb h LYS 153 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2qlb h LYS 153 CO 0.49 0.07 0.00 -0.40 -2.00 0.00 0.00 179.45 177.61 2qlb n ASP 154 N -3.29 1.92 0.00 7.07 5.75 -1.26 -0.57 116.55 126.17 2qlb n ASP 154 Ca -0.01 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 2qlb n ASP 154 Cb 0.26 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2qlb n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qlb n GLY 155 N 0.55 -0.84 3.77 6.12 0.00 -1.18 -4.84 105.19 108.77 2qlb n GLY 155 Ca 0.06 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 2qlb n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qlb s VAL 156 N -3.00 4.21 -0.15 1.61 -7.23 -1.26 0.18 120.40 114.75 2qlb s VAL 156 Ca 0.00 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 2qlb s VAL 156 Cb 0.00 -3.25 0.04 0.00 0.56 0.00 0.00 36.38 33.74 2qlb s VAL 156 CO 0.00 -0.31 0.40 0.28 -0.31 0.00 0.00 175.10 175.16 2qlb s THR 157 N -2.10 -0.00 0.20 5.32 -1.32 -0.62 -4.89 115.64 112.22 2qlb s THR 157 Ca 0.32 0.02 -0.32 0.00 -1.21 0.00 0.00 61.69 60.50 2qlb s THR 157 Cb -0.08 -0.57 -0.12 0.00 -1.51 0.00 0.00 72.50 70.23 2qlb s THR 157 CO 0.23 0.01 1.69 -2.84 -2.21 0.00 0.00 174.62 171.50 2qlb s PRO 158 N 0.40 4.14 0.34 7.08 0.02 -1.26 -1.58 135.00 144.13 2qlb s PRO 158 Ca -0.02 2.56 0.02 0.00 0.02 0.00 0.00 61.00 63.58 2qlb s PRO 158 Cb -0.04 -3.09 0.60 0.00 0.02 0.00 0.00 34.50 31.99 2qlb s PRO 158 CO -0.01 -0.72 1.94 0.82 -0.33 0.00 0.00 177.00 178.70 2qlb h ILE 159 N 3.85 1.18 -0.81 2.83 2.04 -1.61 -2.03 117.51 122.96 2qlb h ILE 159 Ca -0.43 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 64.96 2qlb h ILE 159 Cb 1.20 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2qlb h ILE 159 CO 0.95 0.21 0.53 0.50 0.00 0.00 0.00 178.15 180.34 2qlb h LYS 160 N 0.73 0.92 -0.53 2.37 3.64 -1.91 -2.09 116.57 119.70 2qlb h LYS 160 Ca 0.18 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2qlb h LYS 160 Cb 0.10 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2qlb h LYS 160 CO -0.02 0.61 0.04 -0.44 -2.27 0.00 0.00 179.45 177.37 2qlb h ASP 161 N 0.95 0.83 -0.44 4.20 3.32 -1.75 -0.75 116.42 122.77 2qlb h ASP 161 Ca 0.33 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 2qlb h ASP 161 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2qlb h ASP 161 CO -0.11 0.87 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.05 2qlb h LEU 162 N 0.81 0.91 0.00 1.55 3.38 -1.36 -3.31 115.31 117.29 2qlb h LEU 162 Ca 0.16 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2qlb h LEU 162 Cb 0.43 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qlb h LEU 162 CO 0.02 1.08 -0.81 0.71 0.09 0.00 0.00 178.44 179.52 2qlb h THR 163 N 0.72 0.36 -0.04 0.22 1.35 -1.31 -3.35 112.91 110.86 2qlb h THR 163 Ca 0.11 -1.59 0.01 0.00 -0.55 0.00 0.00 66.41 64.39 2qlb h THR 163 Cb 0.71 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2qlb h THR 163 CO 0.05 0.20 0.04 0.00 -0.25 0.00 0.00 175.52 175.56 2qlb h ALA 164 N 1.71 1.76 0.00 6.62 0.00 -1.22 -1.70 119.26 126.43 2qlb h ALA 164 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qlb h ALA 164 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2qlb h ALA 164 CO 0.03 -0.06 0.09 0.45 0.00 0.00 0.00 179.25 179.76 2qlb h HIS 165 N 0.00 0.00 -0.70 0.00 3.86 -1.74 -1.52 115.15 115.05 2qlb h HIS 165 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2qlb h HIS 165 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2qlb h HIS 165 CO 0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 2qlb n PHE 166 N -3.01 0.93 -1.66 2.45 3.01 -0.64 -4.32 117.46 114.23 2qlb n PHE 166 Ca -0.03 -0.47 -0.38 0.00 1.01 0.00 0.00 57.45 57.59 2qlb n PHE 166 Cb 0.15 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.67 2qlb n PHE 166 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2qlb n ARG 167 N 1.67 1.14 0.02 -1.08 1.74 -0.58 -4.64 116.66 114.92 2qlb n ARG 167 Ca 0.24 0.43 0.22 0.00 -0.77 0.00 0.00 57.85 57.98 2qlb n ARG 167 Cb 0.63 -2.28 0.67 0.00 -1.02 0.00 0.00 32.46 30.45 2qlb n ARG 167 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2qlb h GLY 168 N 0.81 0.00 -2.23 -0.13 0.00 -1.91 0.25 103.07 99.86 2qlb h GLY 168 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2qlb h GLY 168 CO 0.53 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.16 2qlb n ASP 169 N -3.56 3.32 0.00 0.19 5.75 -1.26 -4.19 116.55 116.81 2qlb n ASP 169 Ca 0.11 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 2qlb n ASP 169 Cb 0.85 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2qlb n ASP 169 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qlb n ARG 170 N 1.35 -0.44 -2.89 0.11 1.74 0.85 -4.89 116.66 112.49 2qlb n ARG 170 Ca 0.20 -0.26 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 2qlb n ARG 170 Cb 0.55 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 2qlb n ARG 170 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qlb h LYS 172 N 4.57 0.52 0.00 0.00 1.79 -1.85 -1.61 116.57 119.99 2qlb h LYS 172 Ca 0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2qlb h LYS 172 Cb 1.03 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2qlb h LYS 172 CO 0.23 0.35 0.00 0.25 -1.08 0.00 0.00 179.45 179.20 2qlb n THR 173 N -4.55 0.41 -0.01 -0.16 -2.24 -1.26 -2.15 114.28 104.32 2qlb n THR 173 Ca 0.19 0.10 0.02 0.00 -2.27 0.00 0.00 64.05 62.09 2qlb n THR 173 Cb 0.60 -0.80 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 2qlb n THR 173 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qlb n LEU 174 N -1.27 2.12 -4.72 3.22 4.77 -0.61 -4.22 117.00 116.29 2qlb n LEU 174 Ca 0.09 -1.76 -0.42 0.00 -0.03 0.00 0.00 56.01 53.89 2qlb n LEU 174 Cb 0.14 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2qlb n LEU 174 CO 0.14 0.52 1.28 -0.22 -1.33 0.00 0.00 177.39 177.78 2qlb s LEU 175 N -0.85 4.37 -0.43 2.23 2.96 -0.92 -1.45 118.68 124.60 2qlb s LEU 175 Ca 0.08 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 2qlb s LEU 175 Cb 0.04 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.14 2qlb s LEU 175 CO 0.06 -0.88 0.00 -0.62 -1.32 0.00 0.00 176.35 173.59 2qlb n GLU 176 N 3.89 -0.79 -4.85 1.98 1.02 -1.26 -5.00 120.64 115.63 2qlb n GLU 176 Ca 0.14 0.48 -0.31 0.00 -0.02 0.00 0.00 57.16 57.46 2qlb n GLU 176 Cb 0.37 -4.25 -0.14 0.00 -0.02 0.00 0.00 31.44 27.40 2qlb n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qlb s LYS 177 N -1.71 2.03 0.27 3.49 1.02 -0.53 -4.96 119.74 119.35 2qlb s LYS 177 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 2qlb s LYS 177 Cb 0.00 -2.12 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 2qlb s LYS 177 CO 0.00 0.54 1.35 -1.25 -0.92 0.00 0.00 175.35 175.07 2qlb s PRO 178 N -1.19 4.34 -0.28 -1.68 0.04 -1.26 -4.95 135.00 130.02 2qlb s PRO 178 Ca 0.13 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.38 2qlb s PRO 178 Cb -0.10 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.38 2qlb s PRO 178 CO 0.03 -0.28 -0.07 0.15 0.04 0.00 0.00 177.00 176.87 2qlb s LYS 179 N -0.85 2.28 -0.17 4.56 1.02 -1.26 -2.33 119.74 122.99 2qlb s LYS 179 Ca 0.54 -1.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 2qlb s LYS 179 Cb -0.40 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2qlb s LYS 179 CO 0.45 -0.60 0.05 -0.51 -0.92 0.00 0.00 175.35 173.83 2qlb s LEU 180 N 1.15 3.79 -0.13 3.17 1.43 0.23 -5.01 118.68 123.31 2qlb s LEU 180 Ca -0.07 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2qlb s LEU 180 Cb -0.20 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2qlb s LEU 180 CO -0.04 0.19 -0.11 -0.36 0.23 0.00 0.00 176.35 176.27 2qlb s PHE 181 N 0.26 1.81 -0.18 0.29 0.40 -1.26 0.11 117.98 119.41 2qlb s PHE 181 Ca 0.03 -0.97 -0.05 0.00 -0.60 0.00 0.00 56.93 55.35 2qlb s PHE 181 Cb -0.12 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 2qlb s PHE 181 CO 0.00 -0.59 -0.00 -0.06 0.70 0.00 0.00 175.22 175.27 2qlb s PHE 182 N 1.60 3.07 -0.19 0.36 0.40 0.03 -4.99 117.98 118.26 2qlb s PHE 182 Ca 0.05 -0.31 -0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2qlb s PHE 182 Cb -0.13 -2.03 0.05 0.00 0.51 0.00 0.00 43.02 41.42 2qlb s PHE 182 CO -0.09 -0.10 -0.05 0.42 0.70 0.00 0.00 175.22 176.10 2qlb s ILE 183 N 0.65 1.24 -0.43 0.64 1.01 -1.26 -0.78 121.20 122.27 2qlb s ILE 183 Ca -0.01 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 2qlb s ILE 183 Cb -0.14 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 40.94 2qlb s ILE 183 CO 0.02 0.06 0.32 -1.58 0.00 0.00 0.00 174.94 173.76 2qlb s GLN 184 N 1.56 2.88 -0.25 2.79 2.00 -0.12 -5.01 119.66 123.51 2qlb s GLN 184 Ca -0.01 -1.27 -0.33 0.00 -2.00 0.00 0.00 55.36 51.75 2qlb s GLN 184 Cb -0.16 -3.97 0.16 0.00 0.80 0.00 0.00 33.01 29.84 2qlb s GLN 184 CO -0.07 -0.91 1.29 0.00 -0.50 0.00 0.00 175.29 175.09 2qlb s ALA 185 N 1.59 -2.11 0.66 1.58 0.00 -1.26 -1.93 121.76 120.29 2qlb s ALA 185 Ca 0.04 1.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.64 2qlb s ALA 185 Cb -0.22 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2qlb s ALA 185 CO 0.06 -0.43 1.08 0.00 0.00 0.00 0.00 175.76 176.47 2qlb n ARG 187 N -2.56 0.55 -2.60 0.00 1.74 -1.26 -2.34 116.66 110.19 2qlb n ARG 187 Ca 0.09 -1.80 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 2qlb n ARG 187 Cb 0.53 -0.87 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 2qlb n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qlb n GLY 188 N -0.52 -0.48 0.22 -0.13 0.00 -1.26 -3.05 105.19 99.96 2qlb n GLY 188 Ca 0.07 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.65 2qlb n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qlb n THR 189 N 9.00 0.95 -2.38 2.61 -2.24 -1.26 -4.98 114.28 115.97 2qlb n THR 189 Ca 0.00 -0.97 -0.37 0.00 -2.27 0.00 0.00 64.05 60.44 2qlb n THR 189 Cb 0.00 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2qlb n THR 189 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qlb s GLU 190 N -0.96 3.89 0.04 -0.78 2.02 -1.26 -5.05 118.70 116.59 2qlb s GLU 190 Ca 0.08 1.64 0.06 0.00 0.02 0.00 0.00 54.97 56.77 2qlb s GLU 190 Cb 0.04 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2qlb s GLU 190 CO 0.05 -0.41 -0.14 -0.51 0.02 0.00 0.00 175.26 174.28 2qlb s LEU 191 N -2.95 2.84 -0.34 1.80 1.43 -1.26 -5.10 118.68 115.09 2qlb s LEU 191 Ca 0.62 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2qlb s LEU 191 Cb -0.25 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2qlb s LEU 191 CO 0.31 0.26 0.15 -0.62 0.23 0.00 0.00 176.35 176.68 2qlb s ASP 192 N -1.51 5.51 0.49 2.29 -1.08 -1.26 -4.96 116.67 116.15 2qlb s ASP 192 Ca 0.16 -0.91 0.28 0.00 -0.52 0.00 0.00 52.55 51.56 2qlb s ASP 192 Cb -0.11 -1.96 0.89 0.00 -1.46 0.00 0.00 42.92 40.28 2qlb s ASP 192 CO 0.07 -0.31 1.81 0.44 0.52 0.00 0.00 175.17 177.69 2qlb h ASP 193 N 8.34 0.00 -3.87 -0.34 5.19 -2.06 -3.49 116.42 120.19 2qlb h ASP 193 Ca -0.27 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.22 2qlb h ASP 193 Cb 1.11 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 2qlb h ASP 193 CO 0.63 0.03 -0.13 0.61 -3.12 0.00 0.00 179.24 177.27 2qlb n GLY 194 N 0.51 -1.58 3.37 2.75 0.00 -1.26 -5.04 105.19 103.94 2qlb n GLY 194 Ca 0.02 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 2qlb n GLY 194 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qlb s ILE 195 N -1.52 0.06 0.00 -0.61 1.10 -1.26 -5.31 121.20 113.66 2qlb s ILE 195 Ca 0.00 -0.68 0.00 0.00 -0.51 0.00 0.00 60.65 59.46 2qlb s ILE 195 Cb 0.00 -1.32 0.00 0.00 0.15 0.00 0.00 42.46 41.29 2qlb s ILE 195 CO 0.00 -0.26 0.00 0.00 -2.11 0.00 0.00 174.94 172.57