#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk h ASN 2 N 0.00 0.00 0.13 -3.46 -1.24 -2.07 -1.77 115.58 107.17 2qbk h ASN 2 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 2qbk h ASN 2 Cb 0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 2qbk h ASN 2 CO 0.00 0.23 -1.01 -0.29 -1.29 0.00 0.00 177.43 175.07 2qbk h ILE 3 N 0.00 1.35 -0.85 2.57 -0.00 -2.08 -3.44 117.51 115.07 2qbk h ILE 3 Ca -0.00 -2.49 0.00 0.00 -0.00 0.00 0.00 64.86 62.37 2qbk h ILE 3 Cb 0.45 3.03 0.00 0.00 -0.00 0.00 0.00 36.82 40.30 2qbk h ILE 3 CO 0.03 0.70 0.00 -0.38 -0.00 0.00 0.00 178.15 178.50 2qbk n ILE 4 N -4.07 0.00 0.00 2.19 5.41 -0.67 -3.73 119.36 118.49 2qbk n ILE 4 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2qbk n ILE 4 Cb 0.84 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 2qbk n ILE 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2qbk n LYS 5 N -0.10 0.00 -0.07 0.38 0.00 -1.19 -4.37 118.16 112.81 2qbk n LYS 5 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 2qbk n LYS 5 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 35.03 33.01 2qbk n LYS 5 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2qbk h GLN 6 N 0.18 0.00 0.00 1.64 -0.00 -1.81 -2.33 115.11 112.79 2qbk h GLN 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2qbk h GLN 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2qbk h GLN 6 CO 0.00 0.11 0.15 -0.07 0.00 0.00 0.00 178.83 179.02 2qbk h LEU 7 N -1.00 0.00 0.03 -2.39 4.07 -1.76 1.39 115.31 115.64 2qbk h LEU 7 Ca -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2qbk h LEU 7 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2qbk h LEU 7 CO -0.02 0.00 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.00 2qbk h GLU 8 N 0.00 -0.03 -0.06 1.13 5.08 -1.87 -3.22 114.58 115.60 2qbk h GLU 8 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2qbk h GLU 8 Cb 0.31 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2qbk h GLU 8 CO 0.00 -0.02 0.12 -0.56 -1.00 0.00 0.00 179.01 177.55 2qbk h GLN 9 N -0.38 0.00 0.00 2.33 3.07 -0.78 0.41 115.11 119.76 2qbk h GLN 9 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2qbk h GLN 9 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.59 2qbk h GLN 9 CO 0.01 0.00 -0.08 1.49 0.09 0.00 0.00 178.83 180.33 2qbk h GLU 10 N 0.00 0.00 0.00 0.06 4.81 0.18 -3.03 114.58 116.60 2qbk h GLU 10 Ca 0.03 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2qbk h GLU 10 Cb 0.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2qbk h GLU 10 CO -0.00 0.08 -1.53 1.04 -0.73 0.00 0.00 179.01 177.87 2qbk n GLN 11 N -3.40 1.12 -1.63 1.92 6.02 0.12 -5.02 117.38 116.51 2qbk n GLN 11 Ca -0.01 -0.06 -0.50 0.00 -0.01 0.00 0.00 57.00 56.42 2qbk n GLN 11 Cb 0.24 -1.24 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 2qbk n GLN 11 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2qbk n MET 12 N -2.04 1.57 -2.43 -1.09 2.81 -0.00 -4.98 117.12 110.97 2qbk n MET 12 Ca -0.07 0.57 -0.24 0.00 -1.81 0.00 0.00 57.70 56.15 2qbk n MET 12 Cb 0.47 -2.27 0.05 0.00 -0.71 0.00 0.00 33.22 30.76 2qbk n MET 12 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2qbk s LYS 13 N 1.04 2.42 -0.05 0.03 -2.85 -1.26 -4.97 119.74 114.09 2qbk s LYS 13 Ca 0.84 -0.47 0.17 0.00 -1.00 0.00 0.00 55.97 55.51 2qbk s LYS 13 Cb -0.85 -2.33 0.33 0.00 -2.06 0.00 0.00 37.83 32.93 2qbk s LYS 13 CO 0.45 -0.95 1.14 1.04 0.10 0.00 0.00 175.35 177.14 2qbk n GLN 14 N -2.62 0.41 -0.39 1.78 6.02 -1.26 -4.77 117.38 116.55 2qbk n GLN 14 Ca 0.08 -2.10 0.10 0.00 -0.01 0.00 0.00 57.00 55.06 2qbk n GLN 14 Cb 0.60 -0.53 0.30 0.00 1.02 0.00 0.00 30.24 31.62 2qbk n GLN 14 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2qbk n ASP 15 N -0.06 3.71 -4.60 1.08 2.03 -1.26 -4.88 116.55 112.57 2qbk n ASP 15 Ca 0.08 -2.10 -0.37 0.00 0.52 0.00 0.00 54.79 52.91 2qbk n ASP 15 Cb 0.93 -0.47 -0.11 0.00 -0.72 0.00 0.00 41.12 40.76 2qbk n ASP 15 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2qbk s VAL 16 N -1.31 5.21 0.00 5.18 -7.23 -1.26 -4.80 120.40 116.19 2qbk s VAL 16 Ca 0.44 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 2qbk s VAL 16 Cb 0.24 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2qbk s VAL 16 CO 0.28 0.29 0.00 -0.81 -0.31 0.00 0.00 175.10 174.55 2qbk n PRO 17 N 4.78 0.92 -2.16 4.82 -0.04 -1.26 -5.02 135.00 137.04 2qbk n PRO 17 Ca -0.15 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.90 2qbk n PRO 17 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 2qbk n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qbk s SER 18 N -1.00 6.83 0.48 3.54 0.15 -1.26 -5.04 113.70 117.40 2qbk s SER 18 Ca 0.00 2.54 0.01 0.00 0.70 0.00 0.00 55.95 59.19 2qbk s SER 18 Cb 0.00 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2qbk s SER 18 CO 0.00 -0.54 0.03 0.49 1.20 0.00 0.00 173.24 174.42 2qbk n PHE 19 N 1.91 0.96 0.00 3.44 0.99 -1.26 -5.03 117.46 118.47 2qbk n PHE 19 Ca 0.04 -2.48 0.00 0.00 -0.00 0.00 0.00 57.45 55.01 2qbk n PHE 19 Cb 0.42 -0.27 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 2qbk n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2qbk n ARG 20 N -1.18 0.00 0.00 -1.08 3.00 -1.26 -5.00 116.66 111.15 2qbk n ARG 20 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 2qbk n ARG 20 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.08 2qbk n ARG 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2qbk n PRO 21 N -0.14 0.57 0.00 -0.14 -0.04 -1.26 -3.03 135.00 130.95 2qbk n PRO 21 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2qbk n PRO 21 Cb 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2qbk n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qbk n GLY 22 N 0.18 0.00 3.34 0.55 0.00 -1.25 -4.48 105.19 103.54 2qbk n GLY 22 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qbk n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbk n ASP 23 N -1.82 -2.64 -0.10 1.61 10.43 -1.17 -4.21 116.55 118.65 2qbk n ASP 23 Ca 0.00 0.41 -0.23 0.00 2.57 0.00 0.00 54.79 57.54 2qbk n ASP 23 Cb 0.32 -1.10 -0.12 0.00 1.84 0.00 0.00 41.12 42.06 2qbk n ASP 23 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2qbk n THR 24 N -2.83 1.55 -1.18 -3.53 -1.04 0.56 -2.90 114.28 104.91 2qbk n THR 24 Ca 0.06 -0.13 0.13 0.00 -2.04 0.00 0.00 64.05 62.07 2qbk n THR 24 Cb 0.52 -1.99 -0.05 0.00 -1.82 0.00 0.00 70.33 66.99 2qbk n THR 24 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2qbk n VAL 25 N -4.32 -0.11 -3.50 12.58 0.24 -0.75 -3.74 118.33 118.74 2qbk n VAL 25 Ca -0.36 0.40 -0.18 0.00 -2.04 0.00 0.00 64.34 62.17 2qbk n VAL 25 Cb 0.74 -0.75 -0.13 0.00 -1.47 0.00 0.00 33.84 32.23 2qbk n VAL 25 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2qbk s GLU 26 N -3.41 0.19 -0.06 7.34 2.12 -1.24 -3.74 118.70 119.89 2qbk s GLU 26 Ca 0.00 0.23 -0.17 0.00 0.36 0.00 0.00 54.97 55.39 2qbk s GLU 26 Cb 0.00 -1.15 -0.05 0.00 0.26 0.00 0.00 34.13 33.19 2qbk s GLU 26 CO 0.00 -0.64 0.44 0.08 -0.54 0.00 0.00 175.26 174.61 2qbk s VAL 27 N 2.33 5.10 -0.33 3.70 1.01 -0.37 0.18 120.40 132.02 2qbk s VAL 27 Ca 0.07 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2qbk s VAL 27 Cb -0.16 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.56 2qbk s VAL 27 CO -0.12 0.45 0.07 -0.54 0.00 0.00 0.00 175.10 174.96 2qbk s LYS 28 N -0.20 1.24 0.51 2.72 1.02 -1.16 0.15 119.74 124.02 2qbk s LYS 28 Ca 0.25 -1.63 0.07 0.00 0.02 0.00 0.00 55.97 54.68 2qbk s LYS 28 Cb -0.16 -2.82 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2qbk s LYS 28 CO 0.12 -0.96 0.50 0.14 -0.92 0.00 0.00 175.35 174.23 2qbk s VAL 29 N 1.12 2.10 0.00 3.17 -7.23 0.10 -3.49 120.40 116.17 2qbk s VAL 29 Ca 0.11 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2qbk s VAL 29 Cb -0.18 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2qbk s VAL 29 CO -0.13 0.00 0.00 0.79 -0.31 0.00 0.00 175.10 175.45 2qbk n TRP 30 N -1.82 -1.58 0.00 2.82 8.01 -0.90 0.13 117.44 124.10 2qbk n TRP 30 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 2qbk n TRP 30 Cb 0.63 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 2qbk n TRP 30 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 2qbk n VAL 31 N -1.55 0.00 0.00 -0.99 3.14 -1.08 -3.52 118.33 114.32 2qbk n VAL 31 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qbk n VAL 31 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2qbk n VAL 31 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qbk n VAL 32 N -1.52 0.00 0.00 1.55 0.31 -1.26 -4.94 118.33 112.47 2qbk n VAL 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbk n VAL 32 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qbk n VAL 32 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbk n GLU 33 N 0.00 0.00 0.00 5.55 4.07 -1.26 -3.17 120.64 125.83 2qbk n GLU 33 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2qbk n GLU 33 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2qbk n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbk n GLY 34 N 0.00 0.09 0.48 8.31 0.00 -1.26 -4.79 105.19 108.01 2qbk n GLY 34 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2qbk n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbk n SER 35 N 0.00 1.37 -1.29 1.61 7.64 -1.26 -4.84 113.62 116.85 2qbk n SER 35 Ca 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.85 2qbk n SER 35 Cb 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2qbk n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qbk n LYS 36 N 0.19 1.86 -1.91 1.43 4.76 -1.20 -5.08 118.16 118.23 2qbk n LYS 36 Ca 0.08 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.51 2qbk n LYS 36 Cb 0.23 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.47 2qbk n LYS 36 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2qbk n LYS 37 N -0.55 0.51 -0.39 1.97 0.00 -1.19 -4.45 118.16 114.06 2qbk n LYS 37 Ca 0.00 -0.47 -0.17 0.00 -0.00 0.00 0.00 58.31 57.67 2qbk n LYS 37 Cb 0.00 0.18 0.17 0.00 -0.00 0.00 0.00 35.03 35.38 2qbk n LYS 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qbk n ARG 38 N -0.58 -2.11 -4.00 -1.58 1.74 -1.26 -4.56 116.66 104.31 2qbk n ARG 38 Ca -0.07 -0.82 -0.31 0.00 -0.77 0.00 0.00 57.85 55.88 2qbk n ARG 38 Cb 0.64 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.50 2qbk n ARG 38 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qbk s LEU 39 N 0.00 4.61 0.09 0.55 1.02 -1.26 -2.64 118.68 121.04 2qbk s LEU 39 Ca 0.38 -2.21 -0.30 0.00 0.02 0.00 0.00 54.13 52.01 2qbk s LEU 39 Cb -0.07 -1.59 -0.06 0.00 0.02 0.00 0.00 46.19 44.49 2qbk s LEU 39 CO 0.32 -0.37 1.14 -1.58 0.02 0.00 0.00 176.35 175.88 2qbk s GLN 40 N 0.83 4.50 0.57 1.70 0.74 0.36 -4.76 119.66 123.58 2qbk s GLN 40 Ca 0.12 1.71 -0.04 0.00 0.05 0.00 0.00 55.36 57.19 2qbk s GLN 40 Cb -0.20 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.59 2qbk s GLN 40 CO -0.08 -0.13 0.85 0.00 -0.55 0.00 0.00 175.29 175.39 2qbk s ALA 41 N 0.65 3.44 -0.31 1.58 0.00 -1.26 0.00 121.76 125.86 2qbk s ALA 41 Ca 0.55 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.71 2qbk s ALA 41 Cb -0.28 -2.45 0.19 0.00 0.00 0.00 0.00 23.12 20.58 2qbk s ALA 41 CO 0.31 -0.77 0.58 0.12 0.00 0.00 0.00 175.76 176.00 2qbk s PHE 42 N -2.91 -1.79 -0.88 0.00 2.19 0.40 -4.89 117.98 110.11 2qbk s PHE 42 Ca 0.54 0.92 -0.21 0.00 0.33 0.00 0.00 56.93 58.51 2qbk s PHE 42 Cb -0.10 0.28 0.09 0.00 -1.31 0.00 0.00 43.02 41.98 2qbk s PHE 42 CO 0.43 -1.09 1.19 -1.21 1.83 0.00 0.00 175.22 176.36 2qbk s GLU 43 N 2.68 3.46 0.00 10.12 0.41 -1.26 -1.23 118.70 132.87 2qbk s GLU 43 Ca 0.11 -1.27 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 2qbk s GLU 43 Cb -0.09 -4.82 0.00 0.00 -1.78 0.00 0.00 34.13 27.43 2qbk s GLU 43 CO -0.24 -1.93 0.00 0.41 -0.49 0.00 0.00 175.26 173.02 2qbk n GLY 44 N 5.81 3.72 2.81 -1.39 0.00 -1.25 -4.73 105.19 110.17 2qbk n GLY 44 Ca 0.18 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 2qbk n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbk s VAL 45 N 1.88 -0.46 -0.42 1.61 1.01 -0.22 -4.45 120.40 119.35 2qbk s VAL 45 Ca 0.00 -0.60 -0.40 0.00 0.00 0.00 0.00 61.98 60.99 2qbk s VAL 45 Cb 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 36.38 35.38 2qbk s VAL 45 CO 0.00 -0.45 2.15 0.52 0.00 0.00 0.00 175.10 177.32 2qbk n VAL 46 N 4.93 0.10 -0.09 2.92 0.31 -1.14 -2.89 118.33 122.46 2qbk n VAL 46 Ca 0.04 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 2qbk n VAL 46 Cb 0.47 -1.09 -0.12 0.00 -0.91 0.00 0.00 33.84 32.19 2qbk n VAL 46 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2qbk n ILE 47 N 6.78 1.19 -4.61 2.52 -5.35 -0.88 -3.76 119.36 115.26 2qbk n ILE 47 Ca 0.47 -0.61 -0.29 0.00 -0.27 0.00 0.00 62.75 62.06 2qbk n ILE 47 Cb 0.10 -0.86 -0.07 0.00 -1.74 0.00 0.00 39.64 37.07 2qbk n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qbk n ALA 48 N -2.85 0.51 -3.04 -1.28 0.00 -1.24 0.26 120.51 112.88 2qbk n ALA 48 Ca -0.32 -2.17 -0.11 0.00 0.00 0.00 0.00 53.44 50.84 2qbk n ALA 48 Cb 0.99 1.33 -0.04 0.00 0.00 0.00 0.00 19.45 21.72 2qbk n ALA 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qbk s ILE 49 N -2.97 0.06 0.00 0.00 2.07 -1.25 -4.61 121.20 114.50 2qbk s ILE 49 Ca 0.11 -0.52 0.00 0.00 -1.41 0.00 0.00 60.65 58.84 2qbk s ILE 49 Cb 0.01 -1.14 0.00 0.00 0.13 0.00 0.00 42.46 41.45 2qbk s ILE 49 CO 0.08 -0.29 0.00 -2.11 -1.91 0.00 0.00 174.94 170.71 2qbk n ARG 50 N -0.21 0.00 -2.53 3.50 1.85 -0.35 -4.84 116.66 114.07 2qbk n ARG 50 Ca -0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.67 2qbk n ARG 50 Cb 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 2qbk n ARG 50 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qbk n ASN 51 N 0.00 -6.02 -0.74 2.89 3.02 -1.26 -4.84 115.26 108.31 2qbk n ASN 51 Ca 0.00 0.08 -0.04 0.00 -0.03 0.00 0.00 54.58 54.59 2qbk n ASN 51 Cb 0.00 -3.99 -0.04 0.00 -0.61 0.00 0.00 39.78 35.15 2qbk n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qbk n ARG 52 N -1.18 0.00 0.00 3.52 5.12 -1.22 -5.05 116.66 117.85 2qbk n ARG 52 Ca 0.02 -0.53 0.00 0.00 -1.93 0.00 0.00 57.85 55.42 2qbk n ARG 52 Cb 0.45 0.30 0.00 0.00 -1.16 0.00 0.00 32.46 32.05 2qbk n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbk n GLY 53 N 0.00 1.29 0.29 -0.13 0.00 -1.26 -3.33 105.19 102.05 2qbk n GLY 53 Ca -0.15 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.24 2qbk n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qbk h LEU 54 N 0.00 -0.23 -8.75 0.99 5.85 -2.00 -3.32 115.31 107.85 2qbk h LEU 54 Ca 0.00 0.20 -0.56 0.00 0.84 0.00 0.00 57.88 58.36 2qbk h LEU 54 Cb 0.00 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 2qbk h LEU 54 CO 0.00 -0.18 0.94 -1.00 -0.34 0.00 0.00 178.44 177.86 2qbk s HIS 55 N -6.04 2.78 -0.28 1.25 0.09 -1.21 -4.34 115.29 107.53 2qbk s HIS 55 Ca -0.13 0.75 -0.17 0.00 -0.00 0.00 0.00 55.06 55.51 2qbk s HIS 55 Cb 0.24 -4.36 0.10 0.00 -0.00 0.00 0.00 32.58 28.57 2qbk s HIS 55 CO 0.76 -1.34 0.81 -1.12 -0.00 0.00 0.00 174.74 173.85 2qbk s SER 56 N 2.60 -0.76 0.49 1.40 0.01 -1.25 -3.37 113.70 112.82 2qbk s SER 56 Ca 0.50 1.24 0.03 0.00 1.31 0.00 0.00 55.95 59.02 2qbk s SER 56 Cb -0.08 1.31 -0.02 0.00 0.21 0.00 0.00 66.02 67.43 2qbk s SER 56 CO 0.31 -0.20 0.06 0.00 0.41 0.00 0.00 173.24 173.82 2qbk s ALA 57 N 1.38 3.96 -0.01 1.44 0.00 -1.26 -0.90 121.76 126.37 2qbk s ALA 57 Ca -0.08 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 2qbk s ALA 57 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2qbk s ALA 57 CO -0.16 -0.09 -0.12 1.19 0.00 0.00 0.00 175.76 176.57 2qbk n PHE 58 N -1.27 0.00 -1.98 0.00 0.99 -1.26 -1.21 117.46 112.73 2qbk n PHE 58 Ca -0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.31 2qbk n PHE 58 Cb 0.67 -0.17 -0.00 0.00 -1.00 0.00 0.00 39.48 38.97 2qbk n PHE 58 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2qbk n THR 59 N -3.66 -6.19 -4.71 4.37 -1.04 -0.58 -3.91 114.28 98.55 2qbk n THR 59 Ca -0.05 0.80 -0.26 0.00 -2.04 0.00 0.00 64.05 62.51 2qbk n THR 59 Cb 0.18 -5.12 -0.16 0.00 -1.82 0.00 0.00 70.33 63.41 2qbk n THR 59 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2qbk s VAL 60 N -0.60 1.30 0.35 12.58 -7.23 0.31 -2.06 120.40 125.04 2qbk s VAL 60 Ca -0.02 -0.60 -0.16 0.00 -1.81 0.00 0.00 61.98 59.40 2qbk s VAL 60 Cb 0.00 -1.15 -0.09 0.00 0.56 0.00 0.00 36.38 35.70 2qbk s VAL 60 CO 0.32 0.39 0.78 -0.13 -0.31 0.00 0.00 175.10 176.15 2qbk s ARG 61 N 0.43 4.03 0.08 4.82 1.81 -1.14 -1.58 118.95 127.41 2qbk s ARG 61 Ca -0.12 0.75 0.00 0.00 -1.72 0.00 0.00 55.73 54.64 2qbk s ARG 61 Cb -0.14 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 2qbk s ARG 61 CO 0.04 0.10 0.00 1.17 -0.68 0.00 0.00 175.30 175.93 2qbk n LYS 62 N -0.51 0.00 -2.06 3.54 4.81 -0.76 -1.05 118.16 122.14 2qbk n LYS 62 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.44 2qbk n LYS 62 Cb 0.53 -0.16 0.02 0.00 0.02 0.00 0.00 35.03 35.44 2qbk n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2qbk n ILE 63 N -2.95 -3.63 0.00 3.15 5.41 -1.26 -4.90 119.36 115.18 2qbk n ILE 63 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2qbk n ILE 63 Cb 0.11 -4.15 0.00 0.00 -0.71 0.00 0.00 39.64 34.89 2qbk n ILE 63 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2qbk n SER 64 N -2.03 0.00 -2.95 4.38 7.64 -1.11 -4.25 113.62 115.30 2qbk n SER 64 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.80 2qbk n SER 64 Cb 0.54 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2qbk n SER 64 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2qbk n ASN 65 N 0.00 1.43 0.00 6.43 4.13 -1.26 -4.31 115.26 121.68 2qbk n ASN 65 Ca 0.00 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 54.23 2qbk n ASN 65 Cb 0.00 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.63 2qbk n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qbk n GLY 66 N 3.76 1.92 3.72 7.41 0.00 -1.26 -4.98 105.19 115.76 2qbk n GLY 66 Ca 0.13 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2qbk n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbk s GLU 67 N 0.00 4.26 0.58 1.61 2.12 -1.26 -5.00 118.70 121.01 2qbk s GLU 67 Ca 0.00 0.12 -0.19 0.00 0.36 0.00 0.00 54.97 55.26 2qbk s GLU 67 Cb 0.00 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2qbk s GLU 67 CO 0.00 0.22 1.21 0.20 -0.54 0.00 0.00 175.26 176.35 2qbk s GLY 68 N 0.51 2.75 0.03 -1.50 0.00 -1.26 -2.75 107.32 105.10 2qbk s GLY 68 Ca 0.17 1.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.89 2qbk s GLY 68 CO 0.04 1.41 -0.02 -1.34 0.00 0.00 0.00 173.10 173.20 2qbk s VAL 69 N -1.58 0.15 -0.05 1.40 -7.23 -1.26 -4.80 120.40 107.03 2qbk s VAL 69 Ca 0.76 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.68 2qbk s VAL 69 Cb -0.30 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 35.87 2qbk s VAL 69 CO 0.33 -0.69 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.69 2qbk s GLU 70 N -2.47 0.81 -0.17 4.82 2.12 -1.26 -1.82 118.70 120.72 2qbk s GLU 70 Ca -0.06 -0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.19 2qbk s GLU 70 Cb -0.03 -0.85 0.01 0.00 0.26 0.00 0.00 34.13 33.52 2qbk s GLU 70 CO -0.05 -0.10 -0.19 0.50 -0.54 0.00 0.00 175.26 174.88 2qbk s ARG 71 N 1.02 3.05 -0.77 4.30 3.52 -0.61 -4.88 118.95 124.58 2qbk s ARG 71 Ca -0.09 -0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 54.61 2qbk s ARG 71 Cb -0.14 -2.56 0.20 0.00 -1.56 0.00 0.00 34.95 30.89 2qbk s ARG 71 CO -0.01 -0.12 0.66 0.14 -0.81 0.00 0.00 175.30 175.16 2qbk s VAL 72 N 1.10 4.80 0.00 7.11 -7.23 -1.26 -0.53 120.40 124.39 2qbk s VAL 72 Ca 0.00 -2.83 0.00 0.00 -1.81 0.00 0.00 61.98 57.34 2qbk s VAL 72 Cb -0.14 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.79 2qbk s VAL 72 CO -0.07 -0.98 0.00 0.49 -0.31 0.00 0.00 175.10 174.22 2qbk n PHE 73 N 3.57 -2.04 -2.71 2.82 3.72 -1.26 -4.74 117.46 116.82 2qbk n PHE 73 Ca 0.13 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2qbk n PHE 73 Cb 0.42 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.01 2qbk n PHE 73 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qbk n GLN 74 N -1.57 1.31 0.00 -1.08 1.13 -1.25 -3.98 117.38 111.94 2qbk n GLN 74 Ca 0.00 -3.08 0.00 0.00 -1.94 0.00 0.00 57.00 51.98 2qbk n GLN 74 Cb 0.00 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.21 2qbk n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2qbk n THR 75 N -0.32 0.00 0.81 5.09 5.66 -0.08 -0.30 114.28 125.14 2qbk n THR 75 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2qbk n THR 75 Cb 0.82 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 2qbk n THR 75 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2qbk n HIS 76 N 0.00 0.00 -3.84 1.09 8.25 -1.26 -4.76 115.22 114.70 2qbk n HIS 76 Ca 0.00 -0.34 -0.35 0.00 -0.26 0.00 0.00 57.72 56.77 2qbk n HIS 76 Cb 0.00 -0.20 -0.09 0.00 1.12 0.00 0.00 29.99 30.82 2qbk n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qbk s SER 77 N 0.79 5.91 0.42 0.41 0.15 0.59 -4.91 113.70 117.06 2qbk s SER 77 Ca 0.00 0.13 0.22 0.00 0.70 0.00 0.00 55.95 57.00 2qbk s SER 77 Cb 0.00 -2.03 1.19 0.00 -1.71 0.00 0.00 66.02 63.47 2qbk s SER 77 CO 0.00 0.15 1.76 -0.65 1.20 0.00 0.00 173.24 175.71 2qbk h PRO 78 N 6.86 0.31 -0.02 5.44 0.11 -1.90 0.38 132.00 143.17 2qbk h PRO 78 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2qbk h PRO 78 Cb 1.16 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qbk h PRO 78 CO 0.71 0.20 0.02 -0.39 -0.21 0.00 0.00 178.00 178.33 2qbk h VAL 79 N 0.32 0.61 -0.33 3.15 -1.51 -1.94 -1.59 116.25 114.95 2qbk h VAL 79 Ca 0.61 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.98 2qbk h VAL 79 Cb 1.69 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.82 2qbk h VAL 79 CO -0.27 0.00 -0.20 1.62 -1.23 0.00 0.00 177.57 177.49 2qbk h VAL 80 N 0.00 1.26 0.00 7.19 3.04 -0.54 -2.39 116.25 124.81 2qbk h VAL 80 Ca 0.01 -1.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 2qbk h VAL 80 Cb 0.04 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2qbk h VAL 80 CO -0.00 0.41 0.00 -0.67 -1.01 0.00 0.00 177.57 176.30 2qbk n ASP 81 N -4.13 0.00 -4.95 3.17 2.03 -0.60 -4.16 116.55 107.91 2qbk n ASP 81 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.08 2qbk n ASP 81 Cb 0.40 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.82 2qbk n ASP 81 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2qbk s SER 82 N -4.00 5.64 -0.30 1.67 1.04 -1.23 -5.02 113.70 111.50 2qbk s SER 82 Ca 0.00 0.36 -0.03 0.00 0.48 0.00 0.00 55.95 56.76 2qbk s SER 82 Cb 0.00 -1.45 0.18 0.00 0.10 0.00 0.00 66.02 64.85 2qbk s SER 82 CO 0.00 -0.91 0.61 -0.51 0.98 0.00 0.00 173.24 173.42 2qbk s ILE 83 N -2.73 -0.99 0.00 -1.02 -1.16 -1.26 -2.97 121.20 111.06 2qbk s ILE 83 Ca 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.66 2qbk s ILE 83 Cb -0.10 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 41.97 2qbk s ILE 83 CO 0.40 0.00 0.00 -0.24 -2.81 0.00 0.00 174.94 172.29 2qbk n SER 84 N 5.43 -0.22 0.00 4.50 2.88 0.48 -4.81 113.62 121.88 2qbk n SER 84 Ca -0.03 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 2qbk n SER 84 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2qbk n SER 84 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2qbk n VAL 85 N -0.99 0.00 0.00 2.46 3.14 -1.26 -3.72 118.33 117.96 2qbk n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qbk n VAL 85 Cb 0.00 0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 2qbk n VAL 85 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2qbk n LYS 86 N 0.00 0.00 -4.06 1.45 4.01 -1.26 -1.80 118.16 116.50 2qbk n LYS 86 Ca 0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 2qbk n LYS 86 Cb 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.45 2qbk n LYS 86 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2qbk s ARG 87 N 0.00 3.25 0.07 1.97 3.52 -1.26 -4.87 118.95 121.63 2qbk s ARG 87 Ca 0.00 -0.28 0.09 0.00 -0.13 0.00 0.00 55.73 55.41 2qbk s ARG 87 Cb 0.00 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 2qbk s ARG 87 CO 0.00 0.73 -0.23 -0.98 -0.81 0.00 0.00 175.30 174.01 2qbk s ARG 88 N -1.19 1.80 0.05 5.12 1.70 -1.26 0.21 118.95 125.37 2qbk s ARG 88 Ca 0.17 -1.13 -0.13 0.00 -0.47 0.00 0.00 55.73 54.17 2qbk s ARG 88 Cb -0.12 -2.04 0.02 0.00 -0.57 0.00 0.00 34.95 32.24 2qbk s ARG 88 CO 0.06 0.50 0.28 0.20 -1.08 0.00 0.00 175.30 175.27 2qbk s GLY 89 N -1.58 -0.09 0.25 3.88 0.00 -1.26 -1.16 107.32 107.37 2qbk s GLY 89 Ca 0.14 -0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 2qbk s GLY 89 CO 0.05 -0.29 1.13 0.00 0.00 0.00 0.00 173.10 173.99 2qbk s ALA 90 N -2.67 3.41 0.00 3.20 0.00 0.20 -4.15 121.76 121.76 2qbk s ALA 90 Ca -0.04 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2qbk s ALA 90 Cb -0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2qbk s ALA 90 CO -0.04 -0.23 0.00 0.28 0.00 0.00 0.00 175.76 175.77 2qbk n VAL 91 N 1.53 0.00 -2.66 0.00 0.31 -1.26 -4.23 118.33 112.02 2qbk n VAL 91 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2qbk n VAL 91 Cb 0.45 -0.88 0.05 0.00 -0.91 0.00 0.00 33.84 32.55 2qbk n VAL 91 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qbk n ARG 92 N -2.67 -1.93 -3.63 5.55 0.63 -1.26 -5.04 116.66 108.32 2qbk n ARG 92 Ca 0.00 0.54 -0.05 0.00 -0.92 0.00 0.00 57.85 57.42 2qbk n ARG 92 Cb 0.21 -4.30 -0.05 0.00 0.45 0.00 0.00 32.46 28.76 2qbk n ARG 92 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2qbk s LYS 93 N -4.06 0.24 -0.10 -0.14 2.47 -1.26 -5.06 119.74 111.83 2qbk s LYS 93 Ca 0.24 0.11 -0.10 0.00 -1.56 0.00 0.00 55.97 54.66 2qbk s LYS 93 Cb -0.03 0.12 -0.27 0.00 -1.46 0.00 0.00 37.83 36.18 2qbk s LYS 93 CO 0.46 -0.07 0.46 0.00 0.16 0.00 0.00 175.35 176.37 2qbk h ALA 94 N 2.58 0.31 -3.18 3.13 0.00 -1.95 -3.44 119.26 116.70 2qbk h ALA 94 Ca -0.16 -1.27 -0.65 0.00 0.00 0.00 0.00 54.91 52.83 2qbk h ALA 94 Cb 1.18 0.61 -0.34 0.00 0.00 0.00 0.00 17.79 19.24 2qbk h ALA 94 CO 0.23 1.13 -0.86 0.15 0.00 0.00 0.00 179.25 179.89 2qbk s LYS 95 N -2.54 2.81 -0.67 0.00 3.01 -1.26 -4.58 119.74 116.51 2qbk s LYS 95 Ca -0.21 -0.77 -0.00 0.00 -1.01 0.00 0.00 55.97 53.98 2qbk s LYS 95 Cb 0.06 -2.33 0.41 0.00 -1.01 0.00 0.00 37.83 34.96 2qbk s LYS 95 CO 0.78 -0.08 1.85 1.28 0.51 0.00 0.00 175.35 179.70 2qbk n LEU 96 N 4.25 7.05 0.26 3.17 4.32 0.14 -4.60 117.00 131.59 2qbk n LEU 96 Ca -0.20 -4.63 0.12 0.00 -0.02 0.00 0.00 56.01 51.28 2qbk n LEU 96 Cb 0.51 -0.89 0.70 0.00 -1.62 0.00 0.00 43.42 42.12 2qbk n LEU 96 CO 0.26 1.72 0.97 1.88 -1.22 0.00 0.00 177.39 181.00 2qbk h TYR 97 N 2.44 0.00 0.00 -1.77 0.99 -1.96 0.92 116.97 117.59 2qbk h TYR 97 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 2qbk h TYR 97 Cb 0.61 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.34 2qbk h TYR 97 CO 1.22 0.13 0.00 0.10 -0.00 0.00 0.00 178.16 179.61 2qbk h TYR 98 N 0.00 0.00 -0.00 4.88 -0.00 -1.97 0.95 116.97 120.82 2qbk h TYR 98 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2qbk h TYR 98 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.05 2qbk h TYR 98 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 178.16 178.05 2qbk n LEU 99 N -2.32 0.04 0.00 0.10 -0.00 0.32 -4.40 117.00 110.73 2qbk n LEU 99 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 2qbk n LEU 99 Cb 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2qbk n LEU 99 CO 0.14 0.01 0.00 0.54 -0.00 0.00 0.00 177.39 178.08 2qbk n ARG 100 N -0.83 0.00 -1.55 1.96 3.00 0.33 -4.30 116.66 115.26 2qbk n ARG 100 Ca 0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.88 2qbk n ARG 100 Cb 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 32.46 32.42 2qbk n ARG 100 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2qbk n GLU 101 N 0.00 0.34 0.11 5.56 -0.00 -1.26 -4.29 120.64 121.10 2qbk n GLU 101 Ca 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 57.16 56.03 2qbk n GLU 101 Cb 0.00 -3.63 0.00 0.00 -0.00 0.00 0.00 31.44 27.81 2qbk n GLU 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2qbk n ARG 102 N 8.32 0.00 -0.72 3.44 5.12 -1.26 -5.04 116.66 126.52 2qbk n ARG 102 Ca 0.44 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.46 2qbk n ARG 102 Cb 0.44 -0.13 -0.03 0.00 -1.16 0.00 0.00 32.46 31.58 2qbk n ARG 102 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2qbk n THR 103 N -3.37 0.00 -1.17 0.55 -1.04 -1.26 -4.25 114.28 103.73 2qbk n THR 103 Ca 0.00 0.22 -0.37 0.00 -2.04 0.00 0.00 64.05 61.85 2qbk n THR 103 Cb 0.02 -0.46 0.04 0.00 -1.82 0.00 0.00 70.33 68.11 2qbk n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbk n GLY 104 N -3.31 -3.12 5.00 3.41 0.00 -1.26 -0.07 105.19 105.84 2qbk n GLY 104 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qbk n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 105 N 1.09 0.00 0.26 1.61 4.76 -1.26 -3.97 118.16 120.65 2qbk n LYS 105 Ca 0.06 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.64 2qbk n LYS 105 Cb 0.50 0.00 0.62 0.00 -1.84 0.00 0.00 35.03 34.32 2qbk n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbk h ALA 106 N 0.00 1.03 0.00 7.82 0.00 -1.73 -2.18 119.26 124.19 2qbk h ALA 106 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qbk h ALA 106 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qbk h ALA 106 CO 0.00 0.11 -0.50 0.00 0.00 0.00 0.00 179.25 178.85 2qbk n ALA 107 N -2.15 3.11 -1.66 0.00 0.00 0.90 -4.87 120.51 115.85 2qbk n ALA 107 Ca 0.00 -0.27 -0.50 0.00 0.00 0.00 0.00 53.44 52.67 2qbk n ALA 107 Cb 0.34 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2qbk n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbk n ARG 108 N -1.81 1.66 -4.24 0.00 1.74 -0.82 -4.97 116.66 108.23 2qbk n ARG 108 Ca 0.05 0.60 -0.34 0.00 -0.77 0.00 0.00 57.85 57.39 2qbk n ARG 108 Cb 0.39 -2.33 -0.15 0.00 -1.02 0.00 0.00 32.46 29.34 2qbk n ARG 108 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2qbk s ILE 109 N 1.92 2.79 0.21 0.55 -4.36 -1.26 -5.04 121.20 115.99 2qbk s ILE 109 Ca 0.87 -0.71 -0.32 0.00 -0.26 0.00 0.00 60.65 60.23 2qbk s ILE 109 Cb -0.84 -2.21 -0.13 0.00 1.25 0.00 0.00 42.46 40.53 2qbk s ILE 109 CO 0.49 0.49 1.51 0.29 0.24 0.00 0.00 174.94 177.96 2qbk n LYS 110 N 4.40 2.17 -0.19 0.37 4.01 -1.26 -4.89 118.16 122.76 2qbk n LYS 110 Ca -0.19 0.78 -0.13 0.00 -0.51 0.00 0.00 58.31 58.25 2qbk n LYS 110 Cb 0.51 -2.50 0.13 0.00 -0.51 0.00 0.00 35.03 32.66 2qbk n LYS 110 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2qbk n GLU 111 N 2.75 -2.33 -0.02 1.97 -0.00 -1.26 -0.67 120.64 121.08 2qbk n GLU 111 Ca 0.14 -0.63 -0.01 0.00 -0.00 0.00 0.00 57.16 56.66 2qbk n GLU 111 Cb 0.31 -0.95 -0.00 0.00 -0.00 0.00 0.00 31.44 30.79 2qbk n GLU 111 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2qbk h ARG 112 N 0.00 0.00 -5.14 3.44 9.65 -1.38 0.58 114.38 121.52 2qbk h ARG 112 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2qbk h ARG 112 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2qbk h ARG 112 CO 0.10 0.00 -0.92 -0.11 2.80 0.00 0.00 179.97 181.84 2qbk n LEU 113 N -2.95 -8.01 -0.41 3.80 7.94 -1.26 -4.57 117.00 111.53 2qbk n LEU 113 Ca -0.02 1.30 0.05 0.00 -1.11 0.00 0.00 56.01 56.24 2qbk n LEU 113 Cb 0.07 -3.36 0.04 0.00 0.53 0.00 0.00 43.42 40.70 2qbk n LEU 113 CO 0.03 -3.10 0.41 0.59 -1.11 0.00 0.00 177.39 174.21