#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz h LYS 3 N 0.00 0.05 0.13 -0.67 1.79 -2.07 -0.09 116.57 115.72 2qoz h LYS 3 Ca 0.00 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2qoz h LYS 3 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2qoz h LYS 3 CO 0.00 0.04 -0.06 -0.22 -1.08 0.00 0.00 179.45 178.12 2qoz h LYS 4 N 0.06 -0.17 -0.08 3.15 1.63 -2.07 -3.29 116.57 115.79 2qoz h LYS 4 Ca 0.84 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.65 2qoz h LYS 4 Cb 2.45 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 34.12 2qoz h LYS 4 CO -0.57 -0.11 0.00 0.43 -3.45 0.00 0.00 179.45 175.74 2qoz n SER 5 N -4.60 0.08 0.00 4.20 7.64 -0.25 -3.51 113.62 117.18 2qoz n SER 5 Ca -0.02 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2qoz n SER 5 Cb 0.07 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2qoz n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qoz n ALA 6 N -0.01 0.47 -0.22 -0.43 0.00 -0.21 -4.58 120.51 115.53 2qoz n ALA 6 Ca 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.56 2qoz n ALA 6 Cb 0.02 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.80 2qoz n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qoz n ARG 7 N -1.71 -0.04 0.00 0.00 0.63 -1.23 -2.02 116.66 112.29 2qoz n ARG 7 Ca 0.00 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 2qoz n ARG 7 Cb 0.00 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.28 2qoz n ARG 7 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2qoz n ILE 8 N -4.63 0.00 0.28 5.15 5.41 -1.25 -2.11 119.36 122.21 2qoz n ILE 8 Ca 0.22 1.01 0.08 0.00 1.00 0.00 0.00 62.75 65.06 2qoz n ILE 8 Cb 0.75 -1.72 0.41 0.00 -0.71 0.00 0.00 39.64 38.37 2qoz n ILE 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2qoz h ARG 9 N 0.00 0.00 0.68 0.38 -0.00 -1.65 -1.22 114.38 112.56 2qoz h ARG 9 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2qoz h ARG 9 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 29.98 2qoz h ARG 9 CO 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 179.97 179.65 2qoz h ARG 10 N 0.00 -0.87 -0.00 0.08 3.08 -1.34 -3.21 114.38 112.11 2qoz h ARG 10 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2qoz h ARG 10 Cb 1.10 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2qoz h ARG 10 CO 0.00 -0.56 -0.13 0.00 -1.07 0.00 0.00 179.97 178.21 2qoz n ALA 11 N -2.67 2.77 0.31 0.04 0.00 -0.65 -3.67 120.51 116.64 2qoz n ALA 11 Ca -0.12 -0.25 0.18 0.00 0.00 0.00 0.00 53.44 53.26 2qoz n ALA 11 Cb 0.37 -1.34 0.95 0.00 0.00 0.00 0.00 19.45 19.44 2qoz n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qoz h THR 12 N 0.42 0.09 0.46 0.00 2.02 -1.26 0.29 112.91 114.93 2qoz h THR 12 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2qoz h THR 12 Cb 0.39 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2qoz h THR 12 CO 0.00 0.00 -0.22 -0.09 0.37 0.00 0.00 175.52 175.58 2qoz h ARG 13 N 0.00 -0.59 -0.58 6.66 9.65 -1.72 -2.96 114.38 124.83 2qoz h ARG 13 Ca 0.02 0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 2qoz h ARG 13 Cb 0.43 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 2qoz h ARG 13 CO -0.00 -0.40 -0.01 0.00 2.80 0.00 0.00 179.97 182.36 2qoz h ALA 14 N -1.28 0.88 -0.74 2.80 0.00 -1.55 -2.19 119.26 117.18 2qoz h ALA 14 Ca -0.06 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.64 2qoz h ALA 14 Cb 0.47 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2qoz h ALA 14 CO 0.10 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.50 2qoz h ARG 15 N 0.93 0.61 0.00 0.00 3.08 -0.58 0.59 114.38 119.01 2qoz h ARG 15 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2qoz h ARG 15 Cb 0.55 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2qoz h ARG 15 CO 0.03 0.41 -0.25 -0.09 -1.07 0.00 0.00 179.97 178.99 2qoz h ARG 16 N 0.63 0.00 0.23 0.04 9.65 -1.32 -2.52 114.38 121.09 2qoz h ARG 16 Ca 0.34 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.89 2qoz h ARG 16 Cb 0.49 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.10 2qoz h ARG 16 CO -0.12 0.00 -1.50 -0.22 2.80 0.00 0.00 179.97 180.93 2qoz h LYS 17 N 0.00 0.48 -0.33 0.20 3.11 0.43 -2.31 116.57 118.15 2qoz h LYS 17 Ca 0.00 -0.82 -0.09 0.00 -2.81 0.00 0.00 60.65 56.93 2qoz h LYS 17 Cb 0.84 0.31 -0.01 0.00 -1.00 0.00 0.00 32.23 32.37 2qoz h LYS 17 CO 0.00 1.39 -0.15 -0.07 -2.81 0.00 0.00 179.45 177.81 2qoz h LEU 18 N 0.13 0.70 0.05 5.20 4.07 -0.09 -0.99 115.31 124.39 2qoz h LEU 18 Ca -0.26 -0.40 0.02 0.00 0.08 0.00 0.00 57.88 57.32 2qoz h LEU 18 Cb 2.14 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 43.65 2qoz h LEU 18 CO 0.25 0.94 -0.17 -0.61 -1.08 0.00 0.00 178.44 177.77 2qoz h GLN 19 N 0.45 -0.30 -0.64 1.13 4.15 -1.53 0.42 115.11 118.80 2qoz h GLN 19 Ca 0.08 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.61 2qoz h GLN 19 Cb 0.67 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.36 2qoz h GLN 19 CO 0.05 -0.20 0.26 1.49 -1.93 0.00 0.00 178.83 178.49 2qoz h GLU 20 N -0.31 0.43 0.00 1.69 4.22 -1.32 0.49 114.58 119.78 2qoz h GLU 20 Ca 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2qoz h GLU 20 Cb 0.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qoz h GLU 20 CO -0.13 0.29 0.00 1.28 -2.18 0.00 0.00 179.01 178.27 2qoz n LEU 21 N -4.97 0.63 -3.35 1.64 4.77 -0.38 -4.93 117.00 110.40 2qoz n LEU 21 Ca 0.10 0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 56.62 2qoz n LEU 21 Cb 0.29 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2qoz n LEU 21 CO 0.22 -0.49 0.11 0.61 -1.33 0.00 0.00 177.39 176.52 2qoz n GLY 22 N 0.18 -1.27 2.96 -0.72 0.00 0.17 -5.02 105.19 101.49 2qoz n GLY 22 Ca 0.03 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 2qoz n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qoz s ALA 23 N -3.00 -0.16 0.16 4.61 0.00 -1.17 -4.99 121.76 117.20 2qoz s ALA 23 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 51.96 51.76 2qoz s ALA 23 Cb -0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 23.12 22.91 2qoz s ALA 23 CO 0.81 -0.05 1.68 0.25 0.00 0.00 0.00 175.76 178.45 2qoz n THR 24 N 2.86 0.08 -4.79 0.00 -2.24 -1.26 -4.64 114.28 104.29 2qoz n THR 24 Ca -0.14 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 2qoz n THR 24 Cb 0.59 -1.80 -0.14 0.00 -2.10 0.00 0.00 70.33 66.88 2qoz n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qoz s ARG 25 N 1.41 1.69 -1.31 -0.78 1.70 -1.23 -1.92 118.95 118.51 2qoz s ARG 25 Ca 0.79 -1.14 -0.08 0.00 -0.47 0.00 0.00 55.73 54.82 2qoz s ARG 25 Cb -0.59 -1.92 0.14 0.00 -0.57 0.00 0.00 34.95 32.00 2qoz s ARG 25 CO 0.36 0.49 2.12 -0.11 -1.08 0.00 0.00 175.30 177.08 2qoz n LEU 26 N 1.62 7.29 -4.45 -1.89 7.94 0.92 -2.43 117.00 125.99 2qoz n LEU 26 Ca -0.17 -4.72 -0.52 0.00 -1.11 0.00 0.00 56.01 49.49 2qoz n LEU 26 Cb 0.52 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 2qoz n LEU 26 CO 0.23 1.67 1.75 0.52 -1.11 0.00 0.00 177.39 180.45 2qoz n VAL 27 N 2.74 0.19 -2.37 1.96 0.31 -0.51 -3.92 118.33 116.73 2qoz n VAL 27 Ca 0.50 -0.22 -0.05 0.00 -0.01 0.00 0.00 64.34 64.56 2qoz n VAL 27 Cb 0.31 -1.52 0.03 0.00 -0.91 0.00 0.00 33.84 31.75 2qoz n VAL 27 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2qoz n VAL 28 N 6.91 0.00 -3.65 2.52 3.14 -1.14 -1.96 118.33 124.15 2qoz n VAL 28 Ca 0.41 -0.37 -0.01 0.00 -2.96 0.00 0.00 64.34 61.41 2qoz n VAL 28 Cb 0.20 -1.24 -0.07 0.00 -1.06 0.00 0.00 33.84 31.67 2qoz n VAL 28 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 2qoz s HIS 29 N -0.50 -0.00 0.36 1.45 5.04 -1.24 -4.81 115.29 115.59 2qoz s HIS 29 Ca 0.15 0.01 0.06 0.00 -1.54 0.00 0.00 55.06 53.74 2qoz s HIS 29 Cb -0.01 0.42 -0.07 0.00 0.04 0.00 0.00 32.58 32.96 2qoz s HIS 29 CO 0.10 -0.00 0.01 0.50 -2.34 0.00 0.00 174.74 173.01 2qoz s ARG 30 N 0.17 1.80 -0.25 2.88 3.52 -1.26 -1.57 118.95 124.24 2qoz s ARG 30 Ca 0.05 -2.00 -0.30 0.00 -0.13 0.00 0.00 55.73 53.36 2qoz s ARG 30 Cb -0.05 -1.31 0.17 0.00 -1.56 0.00 0.00 34.95 32.20 2qoz s ARG 30 CO -0.16 -0.08 1.26 -0.08 -0.81 0.00 0.00 175.30 175.43 2qoz s THR 31 N -2.95 0.00 0.26 4.11 -1.32 -1.19 -4.92 115.64 109.63 2qoz s THR 31 Ca 0.35 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.74 2qoz s THR 31 Cb 0.08 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.45 2qoz s THR 31 CO 0.16 0.00 1.59 -0.65 -2.21 0.00 0.00 174.62 173.51 2qoz h PRO 32 N 2.19 0.01 -0.36 7.08 0.11 -2.00 -1.96 132.00 137.07 2qoz h PRO 32 Ca -0.11 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 2qoz h PRO 32 Cb 1.18 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2qoz h PRO 32 CO 0.24 0.00 0.02 0.54 -0.21 0.00 0.00 178.00 178.59 2qoz n ARG 33 N -5.54 3.28 -1.70 1.05 3.00 -1.26 -4.91 116.66 110.58 2qoz n ARG 33 Ca 0.14 -2.95 -0.01 0.00 -0.01 0.00 0.00 57.85 55.01 2qoz n ARG 33 Cb 0.46 -1.95 0.01 0.00 0.00 0.00 0.00 32.46 30.97 2qoz n ARG 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qoz n HIS 34 N -0.32 -1.10 -3.49 -1.55 8.25 -0.74 -4.80 115.22 111.48 2qoz n HIS 34 Ca 0.25 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2qoz n HIS 34 Cb 1.00 0.17 -0.05 0.00 1.12 0.00 0.00 29.99 32.23 2qoz n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qoz s ILE 35 N -2.69 -0.36 0.55 1.59 -1.09 -1.26 -3.15 121.20 114.79 2qoz s ILE 35 Ca 0.04 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 2qoz s ILE 35 Cb -0.01 -1.00 0.03 0.00 -1.58 0.00 0.00 42.46 39.90 2qoz s ILE 35 CO 0.02 0.00 0.25 -0.31 -1.23 0.00 0.00 174.94 173.68 2qoz s TYR 36 N 2.11 1.57 -0.30 3.97 4.12 -0.61 -1.60 117.35 126.61 2qoz s TYR 36 Ca -0.05 -0.94 -0.21 0.00 0.02 0.00 0.00 57.07 55.89 2qoz s TYR 36 Cb -0.05 -1.77 0.19 0.00 -1.52 0.00 0.00 41.96 38.81 2qoz s TYR 36 CO -0.17 -0.26 1.31 0.00 0.02 0.00 0.00 175.55 176.46 2qoz s ALA 37 N -2.85 -2.35 -0.28 3.71 0.00 -1.24 -3.61 121.76 115.13 2qoz s ALA 37 Ca 0.19 1.83 -0.20 0.00 0.00 0.00 0.00 51.96 53.79 2qoz s ALA 37 Cb -0.02 -1.81 0.11 0.00 0.00 0.00 0.00 23.12 21.40 2qoz s ALA 37 CO 0.12 -0.20 0.87 1.14 0.00 0.00 0.00 175.76 177.70 2qoz s GLN 38 N 0.47 0.57 -0.81 0.00 -2.07 -0.83 -1.53 119.66 115.47 2qoz s GLN 38 Ca 0.01 0.85 -0.17 0.00 -1.82 0.00 0.00 55.36 54.22 2qoz s GLN 38 Cb -0.04 0.19 0.15 0.00 -1.09 0.00 0.00 33.01 32.22 2qoz s GLN 38 CO -0.13 -0.10 0.90 0.08 -1.32 0.00 0.00 175.29 174.72 2qoz s VAL 39 N 0.99 5.04 0.43 3.63 1.01 -1.09 -1.43 120.40 128.97 2qoz s VAL 39 Ca -0.05 -1.70 -0.23 0.00 0.00 0.00 0.00 61.98 60.00 2qoz s VAL 39 Cb -0.05 -4.60 -0.09 0.00 0.00 0.00 0.00 36.38 31.65 2qoz s VAL 39 CO -0.12 -1.25 1.07 -0.63 0.00 0.00 0.00 175.10 174.17 2qoz s ILE 40 N 1.87 3.60 0.66 2.22 1.01 -1.02 -2.14 121.20 127.41 2qoz s ILE 40 Ca 0.22 1.18 -0.16 0.00 0.00 0.00 0.00 60.65 61.89 2qoz s ILE 40 Cb -0.12 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2qoz s ILE 40 CO -0.05 -0.04 1.18 0.00 0.00 0.00 0.00 174.94 176.03 2qoz s ALA 41 N -1.69 2.36 0.49 9.38 0.00 -0.72 -3.52 121.76 128.06 2qoz s ALA 41 Ca 0.61 0.82 0.28 0.00 0.00 0.00 0.00 51.96 53.67 2qoz s ALA 41 Cb -0.22 -3.42 1.51 0.00 0.00 0.00 0.00 23.12 20.99 2qoz s ALA 41 CO 0.28 -1.46 1.83 -1.35 0.00 0.00 0.00 175.76 175.06 2qoz h PRO 42 N 0.20 0.00 0.00 0.00 0.11 -1.88 0.46 132.00 130.89 2qoz h PRO 42 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qoz h PRO 42 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2qoz h PRO 42 CO 0.53 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 2qoz n ASN 43 N -2.71 0.00 0.00 -2.05 4.13 -1.26 -4.83 115.26 108.54 2qoz n ASN 43 Ca -0.02 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2qoz n ASN 43 Cb 0.32 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 2qoz n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qoz n GLY 44 N 1.15 1.42 0.00 7.41 0.00 0.16 -4.86 105.19 110.47 2qoz n GLY 44 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qoz n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qoz n SER 45 N 0.00 0.00 -4.54 1.61 7.64 -1.26 -4.91 113.62 112.16 2qoz n SER 45 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2qoz n SER 45 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2qoz n SER 45 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2qoz n GLU 46 N 0.00 0.87 -2.17 1.43 0.00 -1.26 -4.67 120.64 114.85 2qoz n GLU 46 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 57.16 57.35 2qoz n GLU 46 Cb 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 31.44 29.63 2qoz n GLU 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2qoz n VAL 47 N -1.13 0.00 0.00 3.84 0.31 -1.26 -1.75 118.33 118.33 2qoz n VAL 47 Ca 0.11 -1.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.26 2qoz n VAL 47 Cb 0.43 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 2qoz n VAL 47 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qoz n LEU 48 N 0.00 0.52 -4.12 7.52 4.77 -0.91 -4.67 117.00 120.11 2qoz n LEU 48 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2qoz n LEU 48 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2qoz n LEU 48 CO 0.25 -0.07 -0.05 0.68 -1.33 0.00 0.00 177.39 176.88 2qoz s VAL 49 N -1.86 0.00 -0.25 4.08 -7.23 -1.25 -4.99 120.40 108.90 2qoz s VAL 49 Ca 0.00 -1.74 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 2qoz s VAL 49 Cb 0.00 -2.39 0.12 0.00 0.56 0.00 0.00 36.38 34.67 2qoz s VAL 49 CO 0.00 0.00 1.00 0.00 -0.31 0.00 0.00 175.10 175.79 2qoz s ALA 50 N -4.02 -1.95 -0.31 1.32 0.00 -1.26 -2.68 121.76 112.85 2qoz s ALA 50 Ca 0.32 1.82 0.04 0.00 0.00 0.00 0.00 51.96 54.14 2qoz s ALA 50 Cb 0.03 -1.26 0.18 0.00 0.00 0.00 0.00 23.12 22.07 2qoz s ALA 50 CO 0.12 -0.26 0.50 0.00 0.00 0.00 0.00 175.76 176.12 2qoz s ALA 51 N -0.03 -1.76 0.09 0.00 0.00 -0.58 -4.79 121.76 114.70 2qoz s ALA 51 Ca 0.02 0.46 0.09 0.00 0.00 0.00 0.00 51.96 52.53 2qoz s ALA 51 Cb -0.04 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 2qoz s ALA 51 CO -0.04 -1.87 -0.24 -1.54 0.00 0.00 0.00 175.76 172.07 2qoz s SER 52 N 2.49 2.95 0.00 0.00 1.04 -1.26 -3.67 113.70 115.25 2qoz s SER 52 Ca 0.11 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2qoz s SER 52 Cb -0.11 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.83 2qoz s SER 52 CO -0.24 0.16 0.18 0.35 0.98 0.00 0.00 173.24 174.67 2qoz n THR 53 N 1.26 0.00 0.03 2.02 -2.24 -0.63 -1.97 114.28 112.76 2qoz n THR 53 Ca -0.18 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2qoz n THR 53 Cb 0.53 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 68.04 2qoz n THR 53 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2qoz h VAL 54 N 0.00 1.05 -2.65 2.28 3.04 -1.95 -3.41 116.25 114.60 2qoz h VAL 54 Ca 0.00 -2.77 -0.55 0.00 -1.01 0.00 0.00 66.70 62.37 2qoz h VAL 54 Cb 0.00 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 2qoz h VAL 54 CO 0.00 0.75 1.09 -1.61 -1.01 0.00 0.00 177.57 176.78 2qoz s GLU 55 N -2.61 4.10 0.32 4.17 2.02 -0.83 -4.87 118.70 120.99 2qoz s GLU 55 Ca -0.08 2.04 0.10 0.00 0.02 0.00 0.00 54.97 57.05 2qoz s GLU 55 Cb 0.07 -3.98 0.91 0.00 0.10 0.00 0.00 34.13 31.24 2qoz s GLU 55 CO 0.83 -0.94 1.69 -0.22 0.02 0.00 0.00 175.26 176.65 2qoz h LYS 56 N 9.73 0.42 -0.98 1.61 3.64 -1.90 0.23 116.57 129.31 2qoz h LYS 56 Ca -0.37 -0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.27 2qoz h LYS 56 Cb 1.17 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2qoz h LYS 56 CO 0.96 0.28 0.87 0.00 -2.27 0.00 0.00 179.45 179.29 2qoz h ALA 57 N 1.77 2.85 0.00 5.00 0.00 -1.96 0.41 119.26 127.33 2qoz h ALA 57 Ca 0.65 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.45 2qoz h ALA 57 Cb 1.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2qoz h ALA 57 CO -0.54 -1.38 -1.85 -0.89 0.00 0.00 0.00 179.25 174.59 2qoz n ILE 58 N -3.78 0.30 0.48 0.00 5.41 0.76 -4.32 119.36 118.21 2qoz n ILE 58 Ca 0.21 -0.46 0.10 0.00 1.00 0.00 0.00 62.75 63.60 2qoz n ILE 58 Cb 1.20 -0.08 0.42 0.00 -0.71 0.00 0.00 39.64 40.46 2qoz n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qoz n ALA 59 N -2.22 1.73 -1.00 -1.39 0.00 0.13 -2.97 120.51 114.79 2qoz n ALA 59 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2qoz n ALA 59 Cb 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2qoz n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qoz n GLU 60 N -1.91 0.00 0.00 0.00 -0.58 -0.65 -3.21 120.64 114.29 2qoz n GLU 60 Ca 0.03 0.03 0.04 0.00 -0.42 0.00 0.00 57.16 56.84 2qoz n GLU 60 Cb 0.22 -0.96 0.19 0.00 -0.57 0.00 0.00 31.44 30.32 2qoz n GLU 60 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2qoz n GLN 61 N -0.48 0.03 -2.07 3.49 1.13 -1.25 -4.63 117.38 113.59 2qoz n GLN 61 Ca 0.00 0.32 -0.41 0.00 -1.94 0.00 0.00 57.00 54.98 2qoz n GLN 61 Cb 0.00 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 2qoz n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qoz s LEU 62 N -2.91 3.41 0.31 1.08 2.01 -1.16 -4.84 118.68 116.57 2qoz s LEU 62 Ca 0.05 0.75 0.03 0.00 0.01 0.00 0.00 54.13 54.97 2qoz s LEU 62 Cb 0.06 -3.02 0.62 0.00 0.01 0.00 0.00 46.19 43.85 2qoz s LEU 62 CO 0.15 -2.01 1.87 0.50 1.01 0.00 0.00 176.35 177.88 2qoz h LYS 63 N 13.61 0.89 -1.38 1.70 3.64 -1.86 -3.44 116.57 129.74 2qoz h LYS 63 Ca -0.29 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.17 2qoz h LYS 63 Cb 1.16 -0.20 -0.29 0.00 -0.41 0.00 0.00 32.23 32.48 2qoz h LYS 63 CO 1.13 0.59 0.56 -0.47 -2.27 0.00 0.00 179.45 179.00 2qoz s TYR 64 N -5.86 -0.36 0.57 1.91 5.04 -1.26 -5.13 117.35 112.27 2qoz s TYR 64 Ca -0.11 0.77 -0.20 0.00 -2.44 0.00 0.00 57.07 55.09 2qoz s TYR 64 Cb 0.21 0.32 -0.04 0.00 0.35 0.00 0.00 41.96 42.80 2qoz s TYR 64 CO 0.80 -0.17 1.26 0.95 -1.34 0.00 0.00 175.55 177.04 2qoz s THR 65 N 0.76 2.43 -1.55 4.34 -4.23 -1.26 -2.65 115.64 113.48 2qoz s THR 65 Ca -0.03 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 2qoz s THR 65 Cb -0.04 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.68 2qoz s THR 65 CO -0.12 -0.04 0.34 0.61 -0.54 0.00 0.00 174.62 174.87 2qoz n GLY 66 N 0.63 -0.51 2.79 3.99 0.00 -1.26 -4.66 105.19 106.17 2qoz n GLY 66 Ca 0.12 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2qoz n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qoz n ASN 67 N -2.26 7.44 0.00 1.61 4.05 -1.08 -4.89 115.26 120.13 2qoz n ASN 67 Ca -0.15 -3.77 0.00 0.00 0.45 0.00 0.00 54.58 51.11 2qoz n ASN 67 Cb 0.63 -1.11 0.00 0.00 1.23 0.00 0.00 39.78 40.53 2qoz n ASN 67 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2qoz n LYS 68 N -0.32 0.00 0.29 1.20 5.02 -1.26 -0.87 118.16 122.23 2qoz n LYS 68 Ca 0.51 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.94 2qoz n LYS 68 Cb 0.25 0.00 0.75 0.00 -0.02 0.00 0.00 35.03 36.01 2qoz n LYS 68 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2qoz h ASP 69 N 0.00 0.00 0.23 4.39 2.03 -1.96 -1.57 116.42 119.53 2qoz h ASP 69 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2qoz h ASP 69 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2qoz h ASP 69 CO 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 179.24 178.10 2qoz h ALA 70 N 1.41 -0.80 -0.99 4.15 0.00 -1.28 -2.81 119.26 118.94 2qoz h ALA 70 Ca 0.00 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.10 2qoz h ALA 70 Cb 0.55 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2qoz h ALA 70 CO 0.00 -0.78 0.67 0.00 0.00 0.00 0.00 179.25 179.15 2qoz h ALA 71 N -1.77 2.51 -0.19 0.00 0.00 -1.57 -0.55 119.26 117.69 2qoz h ALA 71 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2qoz h ALA 71 Cb 0.24 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2qoz h ALA 71 CO 0.05 -0.84 -0.51 0.00 0.00 0.00 0.00 179.25 177.95 2qoz h ALA 72 N 1.57 -0.78 -0.73 0.00 0.00 -1.16 0.52 119.26 118.67 2qoz h ALA 72 Ca 0.52 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.43 2qoz h ALA 72 Cb 1.59 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 20.31 2qoz h ALA 72 CO -0.15 -1.04 0.46 0.00 0.00 0.00 0.00 179.25 178.52 2qoz h ALA 73 N -0.12 0.96 -0.17 0.00 0.00 -0.86 0.37 119.26 119.44 2qoz h ALA 73 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2qoz h ALA 73 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qoz h ALA 73 CO -0.46 0.25 0.25 0.28 0.00 0.00 0.00 179.25 179.57 2qoz h VAL 74 N 0.90 0.30 0.00 0.00 2.07 -0.40 0.47 116.25 119.59 2qoz h VAL 74 Ca 0.29 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.63 2qoz h VAL 74 Cb 0.02 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2qoz h VAL 74 CO -0.11 0.00 -0.98 1.23 0.02 0.00 0.00 177.57 177.73 2qoz h GLY 75 N 0.00 0.00 1.02 2.17 0.00 0.37 -3.28 103.07 103.35 2qoz h GLY 75 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.54 2qoz h GLY 75 CO -0.00 0.00 0.36 1.70 0.00 0.00 0.00 176.54 178.60 2qoz h LYS 76 N -1.00 0.00 0.15 4.80 3.64 0.51 -2.26 116.57 122.40 2qoz h LYS 76 Ca -0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2qoz h LYS 76 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2qoz h LYS 76 CO -0.16 0.00 -0.07 0.00 -2.27 0.00 0.00 179.45 176.94 2qoz h ALA 77 N 1.72 -0.98 -1.07 5.00 0.00 -0.23 -2.96 119.26 120.74 2qoz h ALA 77 Ca 0.22 -0.04 0.30 0.00 0.00 0.00 0.00 54.91 55.39 2qoz h ALA 77 Cb 0.93 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 2qoz h ALA 77 CO -0.00 -0.96 0.66 -0.39 0.00 0.00 0.00 179.25 178.55 2qoz h VAL 78 N -0.21 0.40 0.00 0.00 -1.51 -1.53 0.23 116.25 113.63 2qoz h VAL 78 Ca -0.02 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2qoz h VAL 78 Cb 0.15 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.31 2qoz h VAL 78 CO 0.03 0.07 0.00 0.00 -1.23 0.00 0.00 177.57 176.44 2qoz n ALA 79 N -2.40 -0.06 0.01 5.19 0.00 -0.88 0.17 120.51 122.54 2qoz n ALA 79 Ca 0.29 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.89 2qoz n ALA 79 Cb 0.97 0.19 0.62 0.00 0.00 0.00 0.00 19.45 21.22 2qoz n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qoz h GLU 80 N 0.00 0.14 -0.98 0.00 4.11 -1.29 0.91 114.58 117.47 2qoz h GLU 80 Ca 0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2qoz h GLU 80 Cb 0.00 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 2qoz h GLU 80 CO 0.00 0.09 0.63 -0.09 0.07 0.00 0.00 179.01 179.72 2qoz h ARG 81 N 0.14 1.05 0.05 1.06 9.65 0.27 0.89 114.38 127.50 2qoz h ARG 81 Ca 0.23 -0.06 -0.31 0.00 -1.10 0.00 0.00 59.98 58.73 2qoz h ARG 81 Cb 0.71 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 2qoz h ARG 81 CO -0.03 0.70 -1.77 0.00 2.80 0.00 0.00 179.97 181.67 2qoz h ALA 82 N 1.49 0.64 0.00 2.80 0.00 0.26 -3.24 119.26 121.21 2qoz h ALA 82 Ca 0.45 -1.41 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 2qoz h ALA 82 Cb 0.29 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qoz h ALA 82 CO -0.20 1.47 -0.10 1.25 0.00 0.00 0.00 179.25 181.68 2qoz h LEU 83 N 0.03 0.00 -0.32 0.00 5.85 0.15 0.25 115.31 121.26 2qoz h LEU 83 Ca -0.32 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.21 2qoz h LEU 83 Cb 2.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.05 2qoz h LEU 83 CO 0.09 0.10 -0.62 -0.08 -0.34 0.00 0.00 178.44 177.59 2qoz h GLU 84 N 0.00 0.74 0.00 1.25 4.81 0.70 -1.80 114.58 120.28 2qoz h GLU 84 Ca -0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2qoz h GLU 84 Cb 0.18 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2qoz h GLU 84 CO 0.01 1.14 0.00 1.63 -0.73 0.00 0.00 179.01 181.06 2qoz n LYS 85 N -3.96 0.31 -2.08 1.92 4.76 0.16 -4.82 118.16 114.45 2qoz n LYS 85 Ca -0.05 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2qoz n LYS 85 Cb 0.66 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 2qoz n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qoz n GLY 86 N 0.10 0.52 3.26 0.72 0.00 -0.43 -5.05 105.19 104.31 2qoz n GLY 86 Ca 0.09 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2qoz n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qoz s ILE 87 N -2.21 2.63 0.17 -0.61 -1.09 0.64 -4.98 121.20 115.75 2qoz s ILE 87 Ca 0.00 -0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 57.56 2qoz s ILE 87 Cb 0.00 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2qoz s ILE 87 CO 0.00 0.52 0.27 -0.75 -1.23 0.00 0.00 174.94 173.75 2qoz s LYS 88 N 0.79 1.16 -0.25 2.79 2.20 -1.26 -3.24 119.74 121.93 2qoz s LYS 88 Ca -0.06 -1.21 -0.05 0.00 -0.36 0.00 0.00 55.97 54.28 2qoz s LYS 88 Cb -0.15 0.37 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2qoz s LYS 88 CO 0.00 -0.42 0.11 -0.25 -0.36 0.00 0.00 175.35 174.43 2qoz n ASP 89 N -0.22 -4.79 -4.01 1.43 9.92 -1.25 -4.86 116.55 112.78 2qoz n ASP 89 Ca -0.07 1.37 -0.11 0.00 -0.53 0.00 0.00 54.79 55.46 2qoz n ASP 89 Cb 0.63 -5.17 -0.07 0.00 -0.64 0.00 0.00 41.12 35.87 2qoz n ASP 89 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2qoz s VAL 90 N -1.19 0.00 0.21 2.53 -7.23 -1.16 -4.91 120.40 108.64 2qoz s VAL 90 Ca -0.12 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.19 2qoz s VAL 90 Cb 0.01 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.49 2qoz s VAL 90 CO 0.76 0.00 0.63 -0.44 -0.31 0.00 0.00 175.10 175.74 2qoz s SER 91 N -3.11 6.86 -0.31 4.85 0.01 -0.81 -4.62 113.70 116.57 2qoz s SER 91 Ca 0.31 1.19 -0.07 0.00 1.31 0.00 0.00 55.95 58.69 2qoz s SER 91 Cb 0.03 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.95 2qoz s SER 91 CO 0.12 0.01 0.09 0.12 0.41 0.00 0.00 173.24 173.99 2qoz s PHE 92 N -1.61 3.19 -0.65 2.43 5.36 -1.26 -0.06 117.98 125.38 2qoz s PHE 92 Ca 0.43 -1.14 -0.24 0.00 -0.96 0.00 0.00 56.93 55.02 2qoz s PHE 92 Cb -0.14 -2.27 0.05 0.00 -0.34 0.00 0.00 43.02 40.32 2qoz s PHE 92 CO 0.20 -0.64 1.03 0.34 -1.46 0.00 0.00 175.22 174.69 2qoz s ASP 93 N 1.47 6.21 0.62 6.13 3.68 -1.25 -4.87 116.67 128.65 2qoz s ASP 93 Ca 0.01 -0.71 0.40 0.00 2.13 0.00 0.00 52.55 54.38 2qoz s ASP 93 Cb -0.18 -2.46 2.17 0.00 -1.45 0.00 0.00 42.92 41.00 2qoz s ASP 93 CO 0.03 -1.48 2.22 0.08 0.13 0.00 0.00 175.17 176.15 2qoz h ARG 94 N 9.61 0.00 -5.89 4.34 0.11 -1.90 -3.02 114.38 117.63 2qoz h ARG 94 Ca -0.28 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.45 2qoz h ARG 94 Cb 1.07 0.00 0.14 0.00 1.11 0.00 0.00 29.97 32.28 2qoz h ARG 94 CO 1.18 0.00 -0.90 0.43 0.10 0.00 0.00 179.97 180.78 2qoz n SER 95 N -2.93 -5.84 0.00 0.08 7.64 -1.26 -1.83 113.62 109.48 2qoz n SER 95 Ca -0.03 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.97 2qoz n SER 95 Cb 0.10 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.12 2qoz n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qoz n GLY 96 N -1.49 0.59 3.74 0.23 0.00 -1.26 -4.87 105.19 102.14 2qoz n GLY 96 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2qoz n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qoz s PHE 97 N -1.50 3.67 -0.29 1.61 0.08 -0.76 -4.86 117.98 115.93 2qoz s PHE 97 Ca 0.00 1.31 -0.28 0.00 0.12 0.00 0.00 56.93 58.08 2qoz s PHE 97 Cb 0.00 -2.74 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 2qoz s PHE 97 CO 0.00 0.25 1.95 -1.14 -0.10 0.00 0.00 175.22 176.18 2qoz s GLN 98 N 0.14 3.25 -1.00 0.44 -0.44 -1.26 -4.80 119.66 115.98 2qoz s GLN 98 Ca 0.36 1.63 -0.27 0.00 -2.50 0.00 0.00 55.36 54.58 2qoz s GLN 98 Cb -0.19 -4.26 -0.21 0.00 -1.64 0.00 0.00 33.01 26.71 2qoz s GLN 98 CO 0.20 -1.96 2.20 -0.47 0.50 0.00 0.00 175.29 175.75 2qoz s TYR 99 N 7.44 1.18 0.00 1.67 6.14 -1.26 -3.59 117.35 128.93 2qoz s TYR 99 Ca 0.87 2.26 0.00 0.00 0.64 0.00 0.00 57.07 60.84 2qoz s TYR 99 Cb -0.26 -3.34 0.00 0.00 0.42 0.00 0.00 41.96 38.78 2qoz s TYR 99 CO 0.34 -0.90 0.00 1.58 0.64 0.00 0.00 175.55 177.21 2qoz n HIS 100 N 19.54 0.00 0.00 4.97 -0.00 -1.26 -4.79 115.22 133.68 2qoz n HIS 100 Ca 0.43 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.61 2qoz n HIS 100 Cb 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 2qoz n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qoz n GLY 101 N -0.96 0.61 0.34 1.57 0.00 -1.24 -4.49 105.19 101.02 2qoz n GLY 101 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2qoz n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qoz h ARG 102 N 0.00 0.41 -0.40 1.61 3.08 -1.91 0.20 114.38 117.38 2qoz h ARG 102 Ca 0.00 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2qoz h ARG 102 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2qoz h ARG 102 CO 0.00 0.27 -0.04 0.28 -1.07 0.00 0.00 179.97 179.42 2qoz h VAL 103 N 0.43 1.23 0.03 2.04 2.07 -1.89 -2.24 116.25 117.91 2qoz h VAL 103 Ca 0.24 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2qoz h VAL 103 Cb 0.39 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2qoz h VAL 103 CO -0.06 0.34 -0.01 -0.61 0.02 0.00 0.00 177.57 177.24 2qoz h GLN 104 N 0.62 -0.03 -7.44 1.57 -0.00 -0.87 -3.31 115.11 105.65 2qoz h GLN 104 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 58.65 58.36 2qoz h GLN 104 Cb 0.45 0.01 0.19 0.00 0.00 0.00 0.00 27.48 28.13 2qoz h GLN 104 CO 0.02 0.08 0.17 0.00 0.00 0.00 0.00 178.83 179.09 2qoz s ALA 105 N -5.78 0.79 0.00 3.38 0.00 -0.62 -3.20 121.76 116.33 2qoz s ALA 105 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2qoz s ALA 105 Cb 0.05 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2qoz s ALA 105 CO 0.66 -3.47 0.00 1.47 0.00 0.00 0.00 175.76 174.42 2qoz n LEU 106 N -4.66 0.00 0.00 0.00 -0.00 -1.26 -4.45 117.00 106.64 2qoz n LEU 106 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2qoz n LEU 106 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2qoz n LEU 106 CO 0.45 0.00 0.39 0.00 -0.00 0.00 0.00 177.39 178.22 2qoz n ALA 107 N 0.00 -0.29 0.25 1.47 0.00 -1.21 -0.00 120.51 120.72 2qoz n ALA 107 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qoz n ALA 107 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.05 2qoz n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qoz h ASP 108 N 0.00 0.00 0.43 0.00 -0.00 -1.76 0.43 116.42 115.52 2qoz h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2qoz h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2qoz h ASP 108 CO 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 179.24 179.30 2qoz n ALA 109 N -2.52 1.43 0.55 4.15 0.00 -1.16 -0.12 120.51 122.84 2qoz n ALA 109 Ca -0.03 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2qoz n ALA 109 Cb 0.14 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 2qoz n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qoz n ALA 110 N -1.71 3.43 -0.07 0.00 0.00 0.13 -3.28 120.51 119.00 2qoz n ALA 110 Ca 0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 2qoz n ALA 110 Cb 0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2qoz n ALA 110 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qoz h ARG 111 N 0.23 0.00 0.00 0.00 2.43 0.15 -2.60 114.38 114.59 2qoz h ARG 111 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qoz h ARG 111 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2qoz h ARG 111 CO 0.00 0.16 0.00 -0.85 -1.51 0.00 0.00 179.97 177.77 2qoz n GLU 112 N -4.60 0.10 -1.10 0.20 0.00 0.83 -1.73 120.64 114.34 2qoz n GLU 112 Ca -0.10 0.23 -0.17 0.00 0.00 0.00 0.00 57.16 57.11 2qoz n GLU 112 Cb 0.31 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.43 2qoz n GLU 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qoz n ALA 113 N -1.36 5.15 0.00 -1.84 0.00 -1.25 -4.98 120.51 116.22 2qoz n ALA 113 Ca 0.04 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.40 2qoz n ALA 113 Cb 0.10 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2qoz n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qoz n GLY 114 N -1.11 1.83 3.02 0.00 0.00 -0.70 -4.30 105.19 103.93 2qoz n GLY 114 Ca 0.49 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2qoz n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qoz n LEU 115 N 0.00 -2.79 -4.06 0.99 7.99 -0.98 -4.85 117.00 113.30 2qoz n LEU 115 Ca 0.00 0.72 -0.32 0.00 -0.01 0.00 0.00 56.01 56.40 2qoz n LEU 115 Cb 0.00 -0.80 -0.16 0.00 -0.11 0.00 0.00 43.42 42.35 2qoz n LEU 115 CO 0.00 -3.97 -0.50 -1.58 -1.51 0.00 0.00 177.39 169.83 2qoz s GLN 116 N -0.92 2.55 0.00 3.23 2.00 -1.26 -4.29 119.66 120.97 2qoz s GLN 116 Ca 0.54 -0.78 0.00 0.00 -2.00 0.00 0.00 55.36 53.12 2qoz s GLN 116 Cb -0.56 -2.42 0.00 0.00 0.80 0.00 0.00 33.01 30.83 2qoz s GLN 116 CO 0.58 -0.28 0.00 1.97 -0.50 0.00 0.00 175.29 177.06