#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk h LYS 3 N 0.00 0.04 0.00 -0.67 -0.00 -2.07 0.22 116.57 114.10 2qbk h LYS 3 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2qbk h LYS 3 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.22 2qbk h LYS 3 CO 0.00 0.02 -0.01 -0.22 -0.00 0.00 0.00 179.45 179.24 2qbk h LYS 4 N 0.04 0.00 -1.30 0.07 3.64 -2.06 -3.32 116.57 113.64 2qbk h LYS 4 Ca 0.75 0.00 0.46 0.00 -1.27 0.00 0.00 60.65 60.59 2qbk h LYS 4 Cb 2.84 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 34.52 2qbk h LYS 4 CO -0.09 0.00 0.82 0.43 -2.27 0.00 0.00 179.45 178.34 2qbk n SER 5 N -2.58 0.22 0.18 4.20 7.64 -0.85 -0.81 113.62 121.63 2qbk n SER 5 Ca -0.00 1.39 -0.09 0.00 1.01 0.00 0.00 58.87 61.17 2qbk n SER 5 Cb 0.01 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 62.48 2qbk n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbk h ALA 6 N 1.61 -1.02 -1.01 -0.43 0.00 -1.11 -2.75 119.26 114.55 2qbk h ALA 6 Ca 0.86 -0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.93 2qbk h ALA 6 Cb 2.69 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 20.77 2qbk h ALA 6 CO -0.50 -1.02 0.59 -0.09 0.00 0.00 0.00 179.25 178.23 2qbk h ARG 7 N -0.56 0.47 0.00 0.00 2.43 -1.07 -2.73 114.38 112.92 2qbk h ARG 7 Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2qbk h ARG 7 Cb 0.46 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2qbk h ARG 7 CO 0.01 0.31 0.00 -0.89 -1.51 0.00 0.00 179.97 177.89 2qbk n ILE 8 N -4.94 0.00 -0.20 1.20 5.41 -1.03 -2.48 119.36 117.31 2qbk n ILE 8 Ca 0.29 1.42 0.01 0.00 1.00 0.00 0.00 62.75 65.48 2qbk n ILE 8 Cb 0.84 -2.11 0.12 0.00 -0.71 0.00 0.00 39.64 37.78 2qbk n ILE 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2qbk h ARG 9 N 0.00 0.24 -0.92 0.38 -0.00 -1.40 0.10 114.38 112.78 2qbk h ARG 9 Ca 0.00 -0.01 0.17 0.00 -0.00 0.00 0.00 59.98 60.14 2qbk h ARG 9 Cb 0.00 -0.05 -0.17 0.00 -0.00 0.00 0.00 29.97 29.75 2qbk h ARG 9 CO 0.00 0.16 -0.28 0.00 -0.00 0.00 0.00 179.97 179.85 2qbk h ARG 10 N 0.25 -0.01 0.00 0.08 3.08 -1.28 0.22 114.38 116.72 2qbk h ARG 10 Ca 0.33 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.22 2qbk h ARG 10 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2qbk h ARG 10 CO -0.43 -0.01 -0.93 0.00 -1.07 0.00 0.00 179.97 177.54 2qbk h ALA 11 N 1.72 0.59 -1.36 0.04 0.00 -1.03 -3.31 119.26 115.91 2qbk h ALA 11 Ca 0.41 -0.74 0.39 0.00 0.00 0.00 0.00 54.91 54.96 2qbk h ALA 11 Cb 0.65 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2qbk h ALA 11 CO -0.94 0.94 1.12 1.15 0.00 0.00 0.00 179.25 181.51 2qbk h THR 12 N 0.00 0.15 0.00 0.00 2.02 0.20 0.92 112.91 116.20 2qbk h THR 12 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2qbk h THR 12 Cb 1.58 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2qbk h THR 12 CO 0.08 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.83 2qbk n ARG 13 N -3.80 0.00 -0.26 6.66 3.00 -1.17 -3.29 116.66 117.80 2qbk n ARG 13 Ca 0.30 0.00 0.31 0.00 -0.00 0.00 0.00 57.85 58.46 2qbk n ARG 13 Cb 1.54 -0.72 0.72 0.00 0.00 0.00 0.00 32.46 34.00 2qbk n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbk h ALA 14 N -2.00 2.94 0.00 5.13 0.00 -1.71 0.57 119.26 124.19 2qbk h ALA 14 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qbk h ALA 14 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qbk h ALA 14 CO 0.00 -1.25 0.00 0.54 0.00 0.00 0.00 179.25 178.54 2qbk n ARG 15 N -4.25 0.16 -0.05 0.00 1.74 0.28 0.66 116.66 115.21 2qbk n ARG 15 Ca 0.22 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.20 2qbk n ARG 15 Cb 1.09 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 31.08 2qbk n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qbk n ARG 16 N -0.92 0.21 -0.36 5.56 3.00 0.20 -4.06 116.66 120.29 2qbk n ARG 16 Ca 0.03 0.09 0.02 0.00 -0.00 0.00 0.00 57.85 58.00 2qbk n ARG 16 Cb 0.01 -0.86 0.18 0.00 0.00 0.00 0.00 32.46 31.79 2qbk n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2qbk h LYS 17 N -0.37 1.15 -0.64 -0.14 3.11 -1.29 1.75 116.57 120.15 2qbk h LYS 17 Ca -0.23 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.51 2qbk h LYS 17 Cb 1.14 -0.26 -0.03 0.00 -1.00 0.00 0.00 32.23 32.09 2qbk h LYS 17 CO -0.14 0.76 0.29 1.25 -2.81 0.00 0.00 179.45 178.80 2qbk h LEU 18 N 1.18 0.85 0.50 5.20 5.85 -0.02 0.32 115.31 129.20 2qbk h LEU 18 Ca 0.42 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 2qbk h LEU 18 Cb 0.14 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2qbk h LEU 18 CO -0.16 0.75 -0.24 -0.61 -0.34 0.00 0.00 178.44 177.84 2qbk h GLN 19 N 0.88 -0.65 -0.99 1.25 4.15 -1.00 -2.53 115.11 116.23 2qbk h GLN 19 Ca 0.22 0.04 0.25 0.00 0.77 0.00 0.00 58.65 59.93 2qbk h GLN 19 Cb 0.14 0.15 -0.13 0.00 0.21 0.00 0.00 27.48 27.85 2qbk h GLN 19 CO -0.03 -0.35 0.57 1.49 -1.93 0.00 0.00 178.83 178.59 2qbk h GLU 20 N -1.01 0.52 0.00 1.69 4.22 0.27 1.52 114.58 121.78 2qbk h GLU 20 Ca -0.07 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.34 2qbk h GLU 20 Cb 0.60 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2qbk h GLU 20 CO 0.11 0.34 0.00 1.28 -2.18 0.00 0.00 179.01 178.56 2qbk n LEU 21 N -4.92 0.66 -2.80 1.64 4.77 0.11 -4.96 117.00 111.50 2qbk n LEU 21 Ca 0.27 0.64 -0.02 0.00 -0.03 0.00 0.00 56.01 56.87 2qbk n LEU 21 Cb 0.76 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2qbk n LEU 21 CO 0.15 -0.48 -0.40 0.61 -1.33 0.00 0.00 177.39 175.94 2qbk n GLY 22 N 0.24 -3.34 3.56 -0.72 0.00 0.52 -5.07 105.19 100.39 2qbk n GLY 22 Ca 0.03 0.58 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 2qbk n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk s ALA 23 N -1.75 -1.83 -0.04 4.61 0.00 -1.23 -4.99 121.76 116.53 2qbk s ALA 23 Ca 0.05 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 2qbk s ALA 23 Cb -0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2qbk s ALA 23 CO 0.72 -0.34 1.33 0.95 0.00 0.00 0.00 175.76 178.43 2qbk s THR 24 N -0.82 3.95 0.31 0.00 -4.23 -1.26 -4.26 115.64 109.33 2qbk s THR 24 Ca -0.06 1.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.81 2qbk s THR 24 Cb -0.01 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 2qbk s THR 24 CO 0.05 -0.02 0.26 0.00 -0.54 0.00 0.00 174.62 174.36 2qbk s ARG 25 N 2.59 2.78 -1.00 3.99 1.70 -1.06 -2.60 118.95 125.35 2qbk s ARG 25 Ca 0.61 -1.22 -0.01 0.00 -0.47 0.00 0.00 55.73 54.64 2qbk s ARG 25 Cb -0.28 -2.50 0.32 0.00 -0.57 0.00 0.00 34.95 31.92 2qbk s ARG 25 CO 0.24 0.20 1.70 -0.11 -1.08 0.00 0.00 175.30 176.24 2qbk n LEU 26 N -1.30 6.97 -4.42 -1.89 7.94 0.26 -2.01 117.00 122.54 2qbk n LEU 26 Ca -0.04 -5.39 -0.49 0.00 -1.11 0.00 0.00 56.01 48.98 2qbk n LEU 26 Cb 0.59 -1.13 -0.10 0.00 0.53 0.00 0.00 43.42 43.31 2qbk n LEU 26 CO 0.43 2.02 1.91 0.52 -1.11 0.00 0.00 177.39 181.16 2qbk n VAL 27 N 0.13 0.06 -3.97 1.96 0.31 -0.01 -4.05 118.33 112.77 2qbk n VAL 27 Ca 0.43 -0.19 -0.31 0.00 -0.01 0.00 0.00 64.34 64.25 2qbk n VAL 27 Cb 0.28 -1.21 -0.05 0.00 -0.91 0.00 0.00 33.84 31.95 2qbk n VAL 27 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbk s VAL 28 N 7.94 5.09 0.01 2.52 0.11 -1.11 -2.23 120.40 132.72 2qbk s VAL 28 Ca 1.17 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2qbk s VAL 28 Cb -1.04 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 30.34 2qbk s VAL 28 CO 0.51 0.15 -0.02 -2.28 -3.33 0.00 0.00 175.10 170.12 2qbk s HIS 29 N -1.46 0.18 0.08 1.54 5.04 -1.16 -4.44 115.29 115.08 2qbk s HIS 29 Ca 0.33 -0.15 0.08 0.00 -1.54 0.00 0.00 55.06 53.78 2qbk s HIS 29 Cb -0.13 -0.12 -0.03 0.00 0.04 0.00 0.00 32.58 32.34 2qbk s HIS 29 CO 0.25 -0.04 -0.22 0.50 -2.34 0.00 0.00 174.74 172.90 2qbk s ARG 30 N -0.39 1.26 0.06 2.88 3.52 -1.26 -0.80 118.95 124.22 2qbk s ARG 30 Ca -0.03 -1.10 -0.10 0.00 -0.13 0.00 0.00 55.73 54.37 2qbk s ARG 30 Cb -0.03 -1.50 0.00 0.00 -1.56 0.00 0.00 34.95 31.87 2qbk s ARG 30 CO -0.00 0.36 0.21 -0.08 -0.81 0.00 0.00 175.30 174.98 2qbk s THR 31 N -1.02 0.12 0.32 4.11 -1.32 -0.94 -5.00 115.64 111.93 2qbk s THR 31 Ca 0.08 -0.97 0.08 0.00 -1.21 0.00 0.00 61.69 59.67 2qbk s THR 31 Cb -0.10 -1.08 0.37 0.00 -1.51 0.00 0.00 72.50 70.18 2qbk s THR 31 CO 0.03 -0.54 1.60 -0.65 -2.21 0.00 0.00 174.62 172.86 2qbk h PRO 32 N 3.14 0.07 0.00 7.08 0.11 -1.99 -2.96 132.00 137.45 2qbk h PRO 32 Ca -0.33 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 2qbk h PRO 32 Cb 1.20 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qbk h PRO 32 CO 0.51 0.05 -1.43 0.54 -0.21 0.00 0.00 178.00 177.45 2qbk n ARG 33 N -5.33 0.68 -4.22 1.05 3.00 -1.26 -4.98 116.66 105.60 2qbk n ARG 33 Ca 0.28 -0.07 -0.27 0.00 -0.01 0.00 0.00 57.85 57.78 2qbk n ARG 33 Cb 0.91 -1.21 -0.05 0.00 0.00 0.00 0.00 32.46 32.10 2qbk n ARG 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qbk n HIS 34 N -1.90 0.94 -3.66 -1.55 8.25 -1.12 -3.23 115.22 112.96 2qbk n HIS 34 Ca -0.04 -2.09 -0.08 0.00 -0.26 0.00 0.00 57.72 55.25 2qbk n HIS 34 Cb 0.32 -0.28 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 2qbk n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qbk s ILE 35 N -2.52 -0.62 0.48 1.59 -1.09 -1.26 -2.20 121.20 115.57 2qbk s ILE 35 Ca 0.01 0.16 0.07 0.00 -2.23 0.00 0.00 60.65 58.65 2qbk s ILE 35 Cb -0.00 -0.68 0.01 0.00 -1.58 0.00 0.00 42.46 40.22 2qbk s ILE 35 CO 0.00 0.07 0.43 -0.31 -1.23 0.00 0.00 174.94 173.90 2qbk s TYR 36 N 2.54 2.14 -0.20 3.97 4.12 0.02 -2.33 117.35 127.61 2qbk s TYR 36 Ca -0.02 -0.66 -0.31 0.00 0.02 0.00 0.00 57.07 56.10 2qbk s TYR 36 Cb -0.12 -2.07 0.15 0.00 -1.52 0.00 0.00 41.96 38.40 2qbk s TYR 36 CO -0.13 -0.37 1.16 0.00 0.02 0.00 0.00 175.55 176.24 2qbk s ALA 37 N -2.61 -2.02 -0.29 3.71 0.00 -1.01 -2.99 121.76 116.55 2qbk s ALA 37 Ca 0.44 1.67 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 2qbk s ALA 37 Cb -0.03 -0.80 0.19 0.00 0.00 0.00 0.00 23.12 22.49 2qbk s ALA 37 CO 0.26 -0.37 1.39 1.14 0.00 0.00 0.00 175.76 178.18 2qbk s GLN 38 N -1.48 0.08 -0.60 0.00 -2.07 -0.95 -3.30 119.66 111.34 2qbk s GLN 38 Ca 0.05 0.06 -0.11 0.00 -1.82 0.00 0.00 55.36 53.54 2qbk s GLN 38 Cb -0.01 0.04 0.15 0.00 -1.09 0.00 0.00 33.01 32.10 2qbk s GLN 38 CO -0.04 -0.02 0.49 0.08 -1.32 0.00 0.00 175.29 174.49 2qbk s VAL 39 N -0.46 4.66 0.30 3.63 1.01 -1.25 -0.83 120.40 127.46 2qbk s VAL 39 Ca 0.08 -2.09 -0.28 0.00 0.00 0.00 0.00 61.98 59.69 2qbk s VAL 39 Cb -0.03 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 2qbk s VAL 39 CO -0.12 -0.87 0.96 -0.63 0.00 0.00 0.00 175.10 174.44 2qbk s ILE 40 N 0.88 4.10 1.07 2.22 1.01 -0.85 -1.75 121.20 127.88 2qbk s ILE 40 Ca 0.10 1.88 -0.12 0.00 0.00 0.00 0.00 60.65 62.51 2qbk s ILE 40 Cb -0.22 -4.10 0.23 0.00 0.01 0.00 0.00 42.46 38.38 2qbk s ILE 40 CO -0.02 0.27 1.07 0.00 0.00 0.00 0.00 174.94 176.26 2qbk s ALA 41 N -1.44 0.25 0.15 9.38 0.00 -0.23 -2.55 121.76 127.32 2qbk s ALA 41 Ca 0.47 0.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 2qbk s ALA 41 Cb -0.22 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2qbk s ALA 41 CO 0.28 -3.47 1.62 -1.35 0.00 0.00 0.00 175.76 172.85 2qbk h PRO 42 N -2.36 -0.24 -0.22 0.00 0.11 -1.89 0.37 132.00 127.76 2qbk h PRO 42 Ca -0.54 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.65 2qbk h PRO 42 Cb 1.31 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 2qbk h PRO 42 CO 0.46 -0.16 0.32 -2.95 -0.21 0.00 0.00 178.00 175.46 2qbk h ASN 43 N -0.25 0.00 -0.11 -2.05 7.08 -1.91 -3.43 115.58 114.91 2qbk h ASN 43 Ca 0.14 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.32 2qbk h ASN 43 Cb 0.47 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.70 2qbk h ASN 43 CO -0.41 0.00 -0.04 0.61 -2.08 0.00 0.00 177.43 175.51 2qbk n GLY 44 N -1.38 0.57 0.39 9.14 0.00 0.12 -4.92 105.19 109.10 2qbk n GLY 44 Ca 0.03 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 2qbk n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbk n SER 45 N 1.25 1.42 -4.83 1.61 7.64 -1.26 -4.94 113.62 114.51 2qbk n SER 45 Ca -0.02 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 59.74 2qbk n SER 45 Cb 0.09 -0.58 -0.07 0.00 -1.01 0.00 0.00 64.21 62.64 2qbk n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qbk s GLU 46 N -2.39 3.72 0.87 1.43 -1.05 -1.26 -4.99 118.70 115.03 2qbk s GLU 46 Ca -0.27 -0.13 -0.12 0.00 -0.15 0.00 0.00 54.97 54.30 2qbk s GLU 46 Cb 0.10 -3.27 0.15 0.00 -0.44 0.00 0.00 34.13 30.67 2qbk s GLU 46 CO 0.34 0.61 1.22 0.08 0.95 0.00 0.00 175.26 178.46 2qbk s VAL 47 N -0.55 2.04 0.00 1.83 1.01 -1.26 -1.07 120.40 122.40 2qbk s VAL 47 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2qbk s VAL 47 Cb -0.12 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2qbk s VAL 47 CO 0.02 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.30 2qbk n LEU 48 N -3.47 0.38 0.00 3.92 4.77 -0.72 -4.69 117.00 117.19 2qbk n LEU 48 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2qbk n LEU 48 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2qbk n LEU 48 CO 0.49 -0.11 0.00 1.33 -1.33 0.00 0.00 177.39 177.77 2qbk n VAL 49 N -2.62 0.00 -3.62 4.08 0.24 -1.25 -5.01 118.33 110.15 2qbk n VAL 49 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2qbk n VAL 49 Cb 0.28 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.63 2qbk n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbk s ALA 50 N -2.00 -2.23 0.00 2.33 0.00 -1.26 -4.47 121.76 114.12 2qbk s ALA 50 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2qbk s ALA 50 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2qbk s ALA 50 CO 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 175.76 175.10 2qbk n ALA 51 N -0.12 0.00 -3.44 0.00 0.00 -1.21 -4.20 120.51 111.54 2qbk n ALA 51 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 2qbk n ALA 51 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 2qbk n ALA 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qbk s SER 52 N 0.00 -0.53 0.42 0.00 1.04 -1.26 -2.41 113.70 110.96 2qbk s SER 52 Ca 0.00 0.71 0.21 0.00 0.48 0.00 0.00 55.95 57.35 2qbk s SER 52 Cb 0.00 0.69 1.16 0.00 0.10 0.00 0.00 66.02 67.97 2qbk s SER 52 CO 0.00 -0.45 1.61 0.71 0.98 0.00 0.00 173.24 176.09 2qbk h THR 53 N 3.58 0.00 0.00 2.02 1.35 -1.85 0.12 112.91 118.13 2qbk h THR 53 Ca -0.28 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.51 2qbk h THR 53 Cb 1.16 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2qbk h THR 53 CO 0.31 0.00 -0.32 1.62 -0.25 0.00 0.00 175.52 176.88 2qbk h VAL 54 N 0.00 0.77 -3.29 6.82 3.04 -1.95 -3.36 116.25 118.27 2qbk h VAL 54 Ca 0.00 -1.38 -0.56 0.00 -1.01 0.00 0.00 66.70 63.74 2qbk h VAL 54 Cb 0.40 1.88 -0.05 0.00 -2.01 0.00 0.00 31.29 31.50 2qbk h VAL 54 CO 0.00 0.32 1.06 -1.61 -1.01 0.00 0.00 177.57 176.33 2qbk s GLU 55 N -3.62 3.56 0.02 4.17 2.02 0.43 -4.92 118.70 120.36 2qbk s GLU 55 Ca 0.00 0.86 -0.04 0.00 0.02 0.00 0.00 54.97 55.81 2qbk s GLU 55 Cb 0.11 -4.02 -0.01 0.00 0.10 0.00 0.00 34.13 30.30 2qbk s GLU 55 CO 0.67 -1.59 0.78 1.17 0.02 0.00 0.00 175.26 176.31 2qbk n LYS 56 N 8.11 -0.06 -0.07 1.61 4.81 -1.26 -1.17 118.16 130.12 2qbk n LYS 56 Ca 0.16 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 2qbk n LYS 56 Cb 0.48 -1.16 0.01 0.00 0.02 0.00 0.00 35.03 34.39 2qbk n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbk n ALA 57 N -2.85 -0.00 -0.00 3.14 0.00 -1.26 0.36 120.51 119.89 2qbk n ALA 57 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 2qbk n ALA 57 Cb 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 2qbk n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbk h ILE 58 N 0.00 0.53 -1.17 0.00 2.04 -1.47 -3.31 117.51 114.13 2qbk h ILE 58 Ca 0.08 -1.25 0.34 0.00 1.00 0.00 0.00 64.86 65.03 2qbk h ILE 58 Cb 0.13 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2qbk h ILE 58 CO -0.20 0.17 1.07 0.00 0.00 0.00 0.00 178.15 179.19 2qbk h ALA 59 N -0.68 3.06 -3.00 1.87 0.00 0.56 -2.55 119.26 118.53 2qbk h ALA 59 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qbk h ALA 59 Cb 0.36 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qbk h ALA 59 CO 0.02 -1.68 0.00 0.39 0.00 0.00 0.00 179.25 177.98 2qbk n GLU 60 N -3.65 0.00 0.31 0.00 -0.58 0.19 -2.61 120.64 114.30 2qbk n GLU 60 Ca 0.26 0.11 0.15 0.00 -0.42 0.00 0.00 57.16 57.26 2qbk n GLU 60 Cb 1.44 -0.94 0.82 0.00 -0.57 0.00 0.00 31.44 32.20 2qbk n GLU 60 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2qbk h GLN 61 N 0.00 0.00 -6.41 3.49 1.08 -1.71 -3.42 115.11 108.15 2qbk h GLN 61 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 2qbk h GLN 61 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2qbk h GLN 61 CO 0.00 0.00 0.97 -0.51 -0.95 0.00 0.00 178.83 178.34 2qbk s LEU 62 N -5.59 4.35 0.00 1.46 2.01 -0.98 -4.95 118.68 114.98 2qbk s LEU 62 Ca -0.03 2.37 0.00 0.00 0.01 0.00 0.00 54.13 56.47 2qbk s LEU 62 Cb 0.09 -3.56 0.00 0.00 0.01 0.00 0.00 46.19 42.73 2qbk s LEU 62 CO 0.27 -0.85 0.77 1.17 1.01 0.00 0.00 176.35 178.72 2qbk n LYS 63 N 5.77 0.00 -4.57 1.70 4.81 -1.26 -4.76 118.16 119.85 2qbk n LYS 63 Ca 0.15 0.33 -0.25 0.00 -0.87 0.00 0.00 58.31 57.67 2qbk n LYS 63 Cb 0.42 -1.27 -0.17 0.00 0.02 0.00 0.00 35.03 34.03 2qbk n LYS 63 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2qbk s TYR 64 N -2.08 1.53 0.22 5.64 5.04 -1.26 -5.11 117.35 121.34 2qbk s TYR 64 Ca 0.00 -0.59 -0.32 0.00 -2.44 0.00 0.00 57.07 53.72 2qbk s TYR 64 Cb 0.00 -1.12 -0.13 0.00 0.35 0.00 0.00 41.96 41.06 2qbk s TYR 64 CO 0.00 -0.31 1.52 0.25 -1.34 0.00 0.00 175.55 175.68 2qbk n THR 65 N 3.88 0.60 -3.55 4.34 -2.24 -1.26 -2.14 114.28 113.91 2qbk n THR 65 Ca -0.22 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.22 2qbk n THR 65 Cb 0.52 -1.64 0.06 0.00 -2.10 0.00 0.00 70.33 67.17 2qbk n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbk n GLY 66 N 2.69 -0.36 2.55 3.38 0.00 -1.20 -4.42 105.19 107.83 2qbk n GLY 66 Ca 0.13 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2qbk n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbk n ASN 67 N -3.09 6.31 0.00 1.61 4.05 -0.91 -4.79 115.26 118.44 2qbk n ASN 67 Ca -0.29 -3.78 0.00 0.00 0.45 0.00 0.00 54.58 50.96 2qbk n ASN 67 Cb 0.67 -0.76 0.00 0.00 1.23 0.00 0.00 39.78 40.92 2qbk n ASN 67 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2qbk n LYS 68 N -0.61 0.00 0.31 1.20 4.81 -1.26 -2.53 118.16 120.08 2qbk n LYS 68 Ca 0.49 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 58.10 2qbk n LYS 68 Cb 0.54 0.00 0.98 0.00 0.02 0.00 0.00 35.03 36.57 2qbk n LYS 68 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2qbk h ASP 69 N 0.00 0.00 -0.06 3.14 2.03 -1.95 0.24 116.42 119.81 2qbk h ASP 69 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 2qbk h ASP 69 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 2qbk h ASP 69 CO 0.00 0.00 -0.64 0.00 -1.03 0.00 0.00 179.24 177.57 2qbk h ALA 70 N 2.00 0.16 0.00 4.15 0.00 -1.76 -2.82 119.26 120.99 2qbk h ALA 70 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qbk h ALA 70 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qbk h ALA 70 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2qbk n ALA 71 N -2.58 2.38 0.01 0.00 0.00 0.79 -3.34 120.51 117.76 2qbk n ALA 71 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 2qbk n ALA 71 Cb 0.68 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 2qbk n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk n ALA 72 N 0.54 2.32 -0.34 0.00 0.00 -0.97 -3.31 120.51 118.75 2qbk n ALA 72 Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.43 2qbk n ALA 72 Cb 0.43 0.13 0.39 0.00 0.00 0.00 0.00 19.45 20.40 2qbk n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h ALA 73 N -0.37 1.84 -0.95 0.00 0.00 -1.59 0.91 119.26 119.10 2qbk h ALA 73 Ca 0.00 0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.23 2qbk h ALA 73 Cb 0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 2qbk h ALA 73 CO 0.00 -0.25 0.50 0.28 0.00 0.00 0.00 179.25 179.77 2qbk h VAL 74 N 0.62 0.52 0.01 0.00 2.07 -1.83 1.33 116.25 118.98 2qbk h VAL 74 Ca 0.60 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.95 2qbk h VAL 74 Cb 1.14 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2qbk h VAL 74 CO -0.39 0.09 -0.01 1.23 0.02 0.00 0.00 177.57 178.51 2qbk h GLY 75 N 0.50 -0.02 1.73 2.17 0.00 0.55 -2.91 103.07 105.09 2qbk h GLY 75 Ca 0.60 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.94 2qbk h GLY 75 CO -0.49 -0.01 0.13 1.70 0.00 0.00 0.00 176.54 177.87 2qbk h LYS 76 N -0.84 0.00 0.30 4.80 3.64 0.15 -0.52 116.57 124.10 2qbk h LYS 76 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2qbk h LYS 76 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2qbk h LYS 76 CO 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 179.45 177.04 2qbk h ALA 77 N 1.75 -0.40 0.00 5.00 0.00 0.18 -2.92 119.26 122.87 2qbk h ALA 77 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qbk h ALA 77 Cb 0.27 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qbk h ALA 77 CO -0.00 -0.42 -0.00 -0.39 0.00 0.00 0.00 179.25 178.44 2qbk h VAL 78 N -1.01 0.11 0.13 0.00 -1.51 -1.13 -0.88 116.25 111.97 2qbk h VAL 78 Ca -0.04 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 2qbk h VAL 78 Cb 0.46 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2qbk h VAL 78 CO 0.07 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.35 2qbk h ALA 79 N 2.00 -0.91 -0.13 5.19 0.00 -1.04 1.25 119.26 125.61 2qbk h ALA 79 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qbk h ALA 79 Cb 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qbk h ALA 79 CO 0.00 -0.90 0.09 1.05 0.00 0.00 0.00 179.25 179.50 2qbk h GLU 80 N -0.20 0.08 -0.15 0.00 4.11 -1.35 -0.92 114.58 116.15 2qbk h GLU 80 Ca -0.02 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 2qbk h GLU 80 Cb 0.13 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2qbk h GLU 80 CO 0.03 0.05 -0.05 -0.09 0.07 0.00 0.00 179.01 179.02 2qbk h ARG 81 N 0.08 0.30 -0.88 1.06 9.65 -1.05 0.26 114.38 123.81 2qbk h ARG 81 Ca 0.06 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2qbk h ARG 81 Cb 0.13 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2qbk h ARG 81 CO -0.01 0.59 0.00 0.00 2.80 0.00 0.00 179.97 183.36 2qbk n ALA 82 N -2.35 2.88 0.00 2.80 0.00 0.43 -3.15 120.51 121.12 2qbk n ALA 82 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2qbk n ALA 82 Cb 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2qbk n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbk n LEU 83 N 0.17 1.04 0.22 0.00 4.32 -0.45 -2.50 117.00 119.81 2qbk n LEU 83 Ca 0.08 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.14 2qbk n LEU 83 Cb 0.51 0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.84 2qbk n LEU 83 CO 0.09 0.17 0.86 -0.08 -1.22 0.00 0.00 177.39 177.22 2qbk h GLU 84 N 0.00 0.00 0.00 3.23 4.57 -0.45 0.62 114.58 122.56 2qbk h GLU 84 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qbk h GLU 84 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2qbk h GLU 84 CO 0.00 0.22 0.00 1.63 -1.18 0.00 0.00 179.01 179.68 2qbk n LYS 85 N -3.99 0.17 -1.08 1.92 4.76 -1.19 -4.87 118.16 113.88 2qbk n LYS 85 Ca -0.02 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2qbk n LYS 85 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2qbk n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbk n GLY 86 N 1.08 0.42 3.89 0.72 0.00 0.22 -5.04 105.19 106.47 2qbk n GLY 86 Ca 0.09 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 2qbk n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbk s ILE 87 N -2.00 5.26 0.07 -0.61 -1.09 -1.04 -4.97 121.20 116.82 2qbk s ILE 87 Ca 0.00 0.15 -0.27 0.00 -2.23 0.00 0.00 60.65 58.30 2qbk s ILE 87 Cb 0.00 -3.59 0.08 0.00 -1.58 0.00 0.00 42.46 37.38 2qbk s ILE 87 CO 0.00 0.30 0.93 -0.75 -1.23 0.00 0.00 174.94 174.18 2qbk s LYS 88 N -1.95 0.99 -0.25 2.79 2.20 -1.26 -3.92 119.74 118.34 2qbk s LYS 88 Ca 0.30 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 55.43 2qbk s LYS 88 Cb -0.13 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2qbk s LYS 88 CO 0.18 -0.44 0.05 -0.25 -0.36 0.00 0.00 175.35 174.53 2qbk n ASP 89 N -0.35 -5.86 -0.71 1.43 10.43 -1.15 -4.89 116.55 115.46 2qbk n ASP 89 Ca -0.08 1.25 0.00 0.00 2.57 0.00 0.00 54.79 58.53 2qbk n ASP 89 Cb 0.61 -4.81 0.00 0.00 1.84 0.00 0.00 41.12 38.77 2qbk n ASP 89 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2qbk n VAL 90 N 0.81 0.00 -4.35 2.53 0.24 0.17 -4.91 118.33 112.82 2qbk n VAL 90 Ca -0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.97 2qbk n VAL 90 Cb 0.12 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.41 2qbk n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2qbk s SER 91 N -0.39 4.16 -0.26 -1.34 0.01 -1.07 -4.50 113.70 110.30 2qbk s SER 91 Ca 0.00 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.30 2qbk s SER 91 Cb 0.00 -0.53 0.07 0.00 0.21 0.00 0.00 66.02 65.76 2qbk s SER 91 CO 0.00 -0.21 -0.06 0.12 0.41 0.00 0.00 173.24 173.50 2qbk s PHE 92 N -2.51 2.83 -0.89 2.43 5.36 -1.26 -0.58 117.98 123.37 2qbk s PHE 92 Ca 0.34 -2.09 -0.17 0.00 -0.96 0.00 0.00 56.93 54.05 2qbk s PHE 92 Cb -0.01 -1.85 0.16 0.00 -0.34 0.00 0.00 43.02 40.99 2qbk s PHE 92 CO 0.19 -0.84 0.99 0.34 -1.46 0.00 0.00 175.22 174.45 2qbk s ASP 93 N 1.24 6.68 0.00 6.13 3.68 -1.26 -4.85 116.67 128.29 2qbk s ASP 93 Ca -0.05 -2.28 0.01 0.00 2.13 0.00 0.00 52.55 52.36 2qbk s ASP 93 Cb -0.19 -2.33 0.04 0.00 -1.45 0.00 0.00 42.92 38.99 2qbk s ASP 93 CO -0.07 -0.88 0.64 -2.11 0.13 0.00 0.00 175.17 172.89 2qbk n ARG 94 N 5.58 0.02 -4.15 4.34 1.85 -1.26 -2.74 116.66 120.29 2qbk n ARG 94 Ca 0.20 0.10 -0.31 0.00 -1.00 0.00 0.00 57.85 56.85 2qbk n ARG 94 Cb 0.48 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.34 2qbk n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbk n SER 95 N -1.11 -0.18 0.00 2.89 7.64 -1.26 -0.22 113.62 121.38 2qbk n SER 95 Ca 0.00 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2qbk n SER 95 Cb 0.00 -2.14 0.00 0.00 -1.01 0.00 0.00 64.21 61.06 2qbk n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbk n GLY 96 N -2.31 0.59 3.46 0.23 0.00 -1.26 -4.79 105.19 101.09 2qbk n GLY 96 Ca -0.29 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 2qbk n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbk s PHE 97 N -2.61 3.12 -0.75 1.61 0.08 0.69 -4.87 117.98 115.25 2qbk s PHE 97 Ca 0.00 -0.50 -0.32 0.00 0.12 0.00 0.00 56.93 56.23 2qbk s PHE 97 Cb 0.00 -3.27 -0.19 0.00 -0.57 0.00 0.00 43.02 38.99 2qbk s PHE 97 CO 0.00 -0.88 2.27 0.94 -0.10 0.00 0.00 175.22 177.44 2qbk n GLN 98 N 5.87 0.00 -1.55 0.44 0.00 -1.26 -4.71 117.38 116.16 2qbk n GLN 98 Ca -0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.70 2qbk n GLN 98 Cb 0.46 -1.36 -0.07 0.00 0.00 0.00 0.00 30.24 29.28 2qbk n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qbk n TYR 99 N 8.56 1.19 0.00 3.69 4.19 -1.26 -3.69 117.16 129.84 2qbk n TYR 99 Ca 0.56 0.05 0.00 0.00 3.31 0.00 0.00 57.90 61.82 2qbk n TYR 99 Cb 0.01 -2.53 0.00 0.00 0.49 0.00 0.00 39.34 37.31 2qbk n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qbk n HIS 100 N 16.88 0.00 0.00 2.98 -0.00 -1.26 -4.86 115.22 128.96 2qbk n HIS 100 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2qbk n HIS 100 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2qbk n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qbk n GLY 101 N -0.70 1.56 0.09 1.57 0.00 -1.24 -4.43 105.19 102.03 2qbk n GLY 101 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2qbk n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbk h ARG 102 N 0.00 0.05 0.00 1.61 3.08 -1.91 -3.01 114.38 114.20 2qbk h ARG 102 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2qbk h ARG 102 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2qbk h ARG 102 CO 0.00 0.96 0.00 0.28 -1.07 0.00 0.00 179.97 180.14 2qbk h VAL 103 N 0.02 0.00 0.55 2.04 2.07 -1.88 -2.88 116.25 116.17 2qbk h VAL 103 Ca -0.03 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2qbk h VAL 103 Cb 1.65 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2qbk h VAL 103 CO 0.13 0.00 -0.26 -0.61 0.02 0.00 0.00 177.57 176.85 2qbk h GLN 104 N 0.00 -0.71 -7.43 1.57 -0.00 -1.74 -3.32 115.11 103.48 2qbk h GLN 104 Ca 0.00 0.05 -0.41 0.00 -0.00 0.00 0.00 58.65 58.29 2qbk h GLN 104 Cb 0.62 0.16 0.19 0.00 0.00 0.00 0.00 27.48 28.46 2qbk h GLN 104 CO 0.00 -0.45 0.15 0.00 0.00 0.00 0.00 178.83 178.53 2qbk s ALA 105 N -5.90 0.70 0.00 3.38 0.00 -1.09 -2.82 121.76 116.03 2qbk s ALA 105 Ca -0.17 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2qbk s ALA 105 Cb 0.03 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2qbk s ALA 105 CO 0.61 -3.60 0.00 1.47 0.00 0.00 0.00 175.76 174.24 2qbk n LEU 106 N -4.76 0.00 0.00 0.00 -0.00 -1.21 -4.43 117.00 106.60 2qbk n LEU 106 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2qbk n LEU 106 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2qbk n LEU 106 CO 0.43 0.00 0.14 0.00 -0.00 0.00 0.00 177.39 177.96 2qbk n ALA 107 N 0.00 -0.13 0.30 1.47 0.00 -1.20 0.05 120.51 121.00 2qbk n ALA 107 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2qbk n ALA 107 Cb 0.00 0.00 1.07 0.00 0.00 0.00 0.00 19.45 20.52 2qbk n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qbk h ASP 108 N 0.00 0.00 0.43 0.00 -0.00 -1.73 0.30 116.42 115.42 2qbk h ASP 108 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.01 2qbk h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2qbk h ASP 108 CO 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 179.24 179.03 2qbk h ALA 109 N 2.00 -0.58 -0.95 4.15 0.00 -1.81 0.43 119.26 122.50 2qbk h ALA 109 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2qbk h ALA 109 Cb 0.01 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2qbk h ALA 109 CO 0.00 -0.54 0.62 0.00 0.00 0.00 0.00 179.25 179.33 2qbk h ALA 110 N -1.18 1.38 0.13 0.00 0.00 0.41 1.55 119.26 121.57 2qbk h ALA 110 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qbk h ALA 110 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qbk h ALA 110 CO 0.10 0.53 -0.09 -0.09 0.00 0.00 0.00 179.25 179.69 2qbk h ARG 111 N 1.20 -0.22 0.00 0.00 2.43 -0.45 -1.12 114.38 116.23 2qbk h ARG 111 Ca 0.37 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.49 2qbk h ARG 111 Cb -0.01 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2qbk h ARG 111 CO -0.11 -0.15 -0.34 1.49 -1.51 0.00 0.00 179.97 179.35 2qbk h GLU 112 N -0.23 0.00 0.00 0.20 4.22 0.83 -2.47 114.58 117.13 2qbk h GLU 112 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2qbk h GLU 112 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qbk h GLU 112 CO 0.00 0.34 0.00 0.00 -2.18 0.00 0.00 179.01 177.17 2qbk n ALA 113 N -2.39 2.18 0.00 2.92 0.00 0.52 -4.80 120.51 118.94 2qbk n ALA 113 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qbk n ALA 113 Cb 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2qbk n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbk n GLY 114 N 0.18 3.10 3.18 0.00 0.00 -0.94 -4.76 105.19 105.96 2qbk n GLY 114 Ca 0.01 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 2qbk n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbk n LEU 115 N 0.00 -3.75 -4.09 0.99 7.99 -0.51 -4.95 117.00 112.67 2qbk n LEU 115 Ca 0.00 0.38 -0.32 0.00 -0.01 0.00 0.00 56.01 56.05 2qbk n LEU 115 Cb 0.00 -0.90 -0.15 0.00 -0.11 0.00 0.00 43.42 42.26 2qbk n LEU 115 CO 0.00 -5.02 -0.45 -1.58 -1.51 0.00 0.00 177.39 168.83 2qbk s GLN 116 N -2.06 2.32 0.00 3.23 2.00 -1.26 -4.57 119.66 119.32 2qbk s GLN 116 Ca 0.50 -1.30 0.00 0.00 -2.00 0.00 0.00 55.36 52.56 2qbk s GLN 116 Cb -0.29 -2.90 0.00 0.00 0.80 0.00 0.00 33.01 30.62 2qbk s GLN 116 CO 0.73 -0.55 0.00 1.97 -0.50 0.00 0.00 175.29 176.95