#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n THR 2 N 0.00 0.00 0.00 2.03 -2.24 -1.26 -4.87 114.28 107.94 2qbk n THR 2 Ca 0.00 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2qbk n THR 2 Cb 0.00 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2qbk n THR 2 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qbk n LEU 3 N 0.00 0.00 -0.33 3.22 7.94 -1.26 -0.03 117.00 126.54 2qbk n LEU 3 Ca 0.09 0.88 0.17 0.00 -1.11 0.00 0.00 56.01 56.05 2qbk n LEU 3 Cb 0.34 -0.38 0.38 0.00 0.53 0.00 0.00 43.42 44.28 2qbk n LEU 3 CO 0.22 -0.38 1.12 0.50 -1.11 0.00 0.00 177.39 177.74 2qbk h LYS 4 N 0.00 0.47 -0.11 1.96 3.64 -2.00 0.75 116.57 121.29 2qbk h LYS 4 Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2qbk h LYS 4 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2qbk h LYS 4 CO 0.00 0.31 -0.26 0.93 -2.27 0.00 0.00 179.45 178.16 2qbk h GLU 5 N 0.49 0.20 0.04 1.90 5.08 -1.92 -1.24 114.58 119.13 2qbk h GLU 5 Ca 0.64 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.93 2qbk h GLU 5 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2qbk h GLU 5 CO -0.51 0.45 -0.02 1.25 -1.00 0.00 0.00 179.01 179.18 2qbk h LEU 6 N 0.18 -0.05 -0.56 1.33 6.46 0.42 -1.44 115.31 121.65 2qbk h LEU 6 Ca 0.03 -0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.74 2qbk h LEU 6 Cb 0.56 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.45 2qbk h LEU 6 CO 0.04 0.09 0.25 1.88 -0.62 0.00 0.00 178.44 180.07 2qbk h TYR 7 N -0.18 0.45 0.26 1.25 0.05 -0.90 -1.26 116.97 116.63 2qbk h TYR 7 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2qbk h TYR 7 Cb 0.16 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 2qbk h TYR 7 CO -0.03 0.18 -0.50 0.00 -1.05 0.00 0.00 178.16 176.76 2qbk h ALA 8 N 1.34 -0.99 -0.83 3.88 0.00 -0.85 -1.28 119.26 120.52 2qbk h ALA 8 Ca 0.26 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2qbk h ALA 8 Cb 0.24 0.80 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 2qbk h ALA 8 CO -0.22 -1.12 0.42 1.49 0.00 0.00 0.00 179.25 179.82 2qbk h GLU 9 N -0.83 0.60 0.49 0.00 4.81 -0.94 -1.22 114.58 117.50 2qbk h GLU 9 Ca -0.02 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2qbk h GLU 9 Cb 0.79 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2qbk h GLU 9 CO -0.20 0.40 -0.41 1.15 -0.73 0.00 0.00 179.01 179.22 2qbk h THR 10 N 0.62 0.00 -0.31 0.32 2.02 -0.65 0.11 112.91 115.02 2qbk h THR 10 Ca 0.45 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.68 2qbk h THR 10 Cb 0.62 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.96 2qbk h THR 10 CO -0.36 0.00 -0.51 -0.09 0.37 0.00 0.00 175.52 174.93 2qbk h ARG 11 N -0.88 -0.43 -0.15 6.66 2.43 -0.84 0.14 114.38 121.31 2qbk h ARG 11 Ca -0.06 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2qbk h ARG 11 Cb 0.74 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 2qbk h ARG 11 CO -0.00 -0.28 -0.39 0.66 -1.51 0.00 0.00 179.97 178.44 2qbk h SER 12 N -0.44 -1.26 -0.45 -3.80 4.64 -1.11 0.23 113.55 111.37 2qbk h SER 12 Ca 0.08 0.15 0.09 0.00 -0.47 0.00 0.00 61.79 61.64 2qbk h SER 12 Cb 0.62 0.50 -0.09 0.00 -0.31 0.00 0.00 62.40 63.12 2qbk h SER 12 CO -0.53 -0.33 -0.22 0.45 -0.87 0.00 0.00 176.83 175.33 2qbk h HIS 13 N -0.38 -0.57 -0.87 4.77 3.86 -0.35 0.11 115.15 121.72 2qbk h HIS 13 Ca 0.03 0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 2qbk h HIS 13 Cb 0.47 0.32 -0.06 0.00 1.06 0.00 0.00 27.41 29.20 2qbk h HIS 13 CO -0.59 -0.30 0.56 0.52 0.86 0.00 0.00 177.93 178.98 2qbk h MET 14 N -0.13 0.91 -0.02 2.45 2.86 -0.15 -1.74 114.93 119.10 2qbk h MET 14 Ca 0.21 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2qbk h MET 14 Cb 0.46 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2qbk h MET 14 CO -0.53 0.60 -0.08 0.37 1.06 0.00 0.00 176.91 178.33 2qbk h GLN 15 N 0.93 -0.12 -0.25 1.72 5.75 0.20 -1.74 115.11 121.60 2qbk h GLN 15 Ca 0.38 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.92 2qbk h GLN 15 Cb 0.27 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 2qbk h GLN 15 CO -0.15 -0.08 -0.34 0.87 -2.65 0.00 0.00 178.83 176.48 2qbk h LYS 16 N -0.13 -0.24 -0.99 1.69 6.56 -0.37 0.30 116.57 123.41 2qbk h LYS 16 Ca 0.04 0.02 0.27 0.00 -1.06 0.00 0.00 60.65 59.91 2qbk h LYS 16 Cb 0.18 0.05 -0.13 0.00 -0.57 0.00 0.00 32.23 31.76 2qbk h LYS 16 CO -0.09 -0.16 0.55 0.77 -2.06 0.00 0.00 179.45 178.46 2qbk h SER 17 N -0.24 0.56 0.29 0.86 0.02 -1.35 0.31 113.55 113.99 2qbk h SER 17 Ca 0.04 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2qbk h SER 17 Cb 0.36 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2qbk h SER 17 CO -0.36 -0.01 -0.14 0.25 -1.14 0.00 0.00 176.83 175.43 2qbk h LEU 18 N 0.45 -0.33 -1.46 5.07 5.85 0.17 -1.37 115.31 123.70 2qbk h LEU 18 Ca 0.67 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.47 2qbk h LEU 18 Cb 1.37 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 2qbk h LEU 18 CO -0.54 -0.21 0.48 -0.33 -0.34 0.00 0.00 178.44 177.50 2qbk h GLU 19 N -0.43 0.59 -0.86 1.25 5.08 0.29 0.23 114.58 120.72 2qbk h GLU 19 Ca -0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2qbk h GLU 19 Cb 0.33 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2qbk h GLU 19 CO 0.07 0.39 0.52 0.28 -1.00 0.00 0.00 179.01 179.27 2qbk h VAL 20 N 0.60 1.24 -0.09 3.13 2.07 -0.12 -2.40 116.25 120.68 2qbk h VAL 20 Ca 0.33 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2qbk h VAL 20 Cb 0.49 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2qbk h VAL 20 CO -0.12 0.25 -0.22 0.25 0.02 0.00 0.00 177.57 177.75 2qbk h LEU 21 N 1.17 -0.68 -0.05 2.57 5.85 0.53 -1.05 115.31 123.65 2qbk h LEU 21 Ca 0.31 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.16 2qbk h LEU 21 Cb -0.06 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2qbk h LEU 21 CO -0.06 -0.28 -0.48 -0.33 -0.34 0.00 0.00 178.44 176.96 2qbk h GLU 22 N -0.31 -0.57 -0.11 1.25 5.08 -0.98 0.26 114.58 119.21 2qbk h GLU 22 Ca 0.09 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2qbk h GLU 22 Cb 0.43 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2qbk h GLU 22 CO -0.26 -0.38 -0.14 1.25 -1.00 0.00 0.00 179.01 178.48 2qbk h HIS 23 N -0.59 -0.42 -1.00 4.33 2.76 -1.11 0.40 115.15 119.52 2qbk h HIS 23 Ca 0.04 0.02 0.29 0.00 -2.20 0.00 0.00 60.37 58.52 2qbk h HIS 23 Cb 0.68 0.20 -0.14 0.00 1.55 0.00 0.00 27.41 29.70 2qbk h HIS 23 CO -0.49 -0.12 0.57 -0.91 -1.30 0.00 0.00 177.93 175.68 2qbk h ASN 24 N -0.09 0.57 0.57 3.26 -0.26 -0.94 0.65 115.58 119.34 2qbk h ASN 24 Ca 0.02 0.17 -0.12 0.00 -0.56 0.00 0.00 56.30 55.81 2qbk h ASN 24 Cb 0.14 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 2qbk h ASN 24 CO -0.15 -0.04 -0.58 -0.07 -1.06 0.00 0.00 177.43 175.53 2qbk h LEU 25 N 0.43 0.01 0.23 1.61 3.38 0.12 -3.35 115.31 117.74 2qbk h LEU 25 Ca 0.69 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.65 2qbk h LEU 25 Cb 1.47 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2qbk h LEU 25 CO -0.55 0.59 -0.11 0.00 0.09 0.00 0.00 178.44 178.45 2qbk h ALA 26 N 1.41 -0.78 -0.74 1.53 0.00 0.46 -3.40 119.26 117.73 2qbk h ALA 26 Ca -0.01 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 2qbk h ALA 26 Cb 1.03 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2qbk h ALA 26 CO 0.08 -0.76 0.91 0.20 0.00 0.00 0.00 179.25 179.67 2qbk s GLY 27 N -1.68 0.35 0.08 0.00 0.00 -1.00 -4.97 107.32 100.11 2qbk s GLY 27 Ca -0.04 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 42.98 2qbk s GLY 27 CO 0.13 3.38 -0.07 1.08 0.00 0.00 0.00 173.10 177.62 2qbk s LEU 28 N 9.41 2.43 -0.64 0.66 1.43 -1.26 -5.00 118.68 125.71 2qbk s LEU 28 Ca 0.66 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2qbk s LEU 28 Cb -0.05 -0.11 -0.10 0.00 0.03 0.00 0.00 46.19 45.96 2qbk s LEU 28 CO -0.00 -0.38 2.33 -1.14 0.23 0.00 0.00 176.35 177.39 2qbk n ARG 29 N 0.40 1.93 0.00 1.70 0.63 -1.26 -4.87 116.66 115.19 2qbk n ARG 29 Ca -0.15 -1.22 0.00 0.00 -0.92 0.00 0.00 57.85 55.56 2qbk n ARG 29 Cb 0.59 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 31.26 2qbk n ARG 29 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2qbk n THR 30 N 3.56 0.00 0.98 5.15 -2.24 -1.26 -4.42 114.28 116.05 2qbk n THR 30 Ca 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 2qbk n THR 30 Cb 0.31 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2qbk n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbk n GLY 31 N 0.00 -0.34 4.64 3.38 0.00 -1.26 -4.61 105.19 106.99 2qbk n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbk n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbk n ARG 32 N -0.40 0.00 0.04 1.61 1.74 -1.26 -4.29 116.66 114.11 2qbk n ARG 32 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2qbk n ARG 32 Cb 0.02 -2.61 0.19 0.00 -1.02 0.00 0.00 32.46 29.03 2qbk n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbk n ALA 33 N 0.64 1.08 -1.84 7.54 0.00 -1.25 -4.70 120.51 121.99 2qbk n ALA 33 Ca 0.00 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2qbk n ALA 33 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 2qbk n ALA 33 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qbk s ASN 34 N -3.29 6.54 0.00 0.00 -0.87 -1.26 -4.49 114.94 111.56 2qbk s ASN 34 Ca 0.00 2.56 0.22 0.00 -1.57 0.00 0.00 52.86 54.07 2qbk s ASN 34 Cb 0.03 -2.55 1.23 0.00 -0.02 0.00 0.00 41.25 39.93 2qbk s ASN 34 CO 0.08 -0.95 1.80 -0.81 -2.57 0.00 0.00 177.10 174.65 2qbk n PRO 35 N 6.16 1.15 -0.28 -0.60 -0.04 -1.26 -3.15 135.00 136.98 2qbk n PRO 35 Ca 0.17 -0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.51 2qbk n PRO 35 Cb 0.40 -1.36 0.26 0.00 -0.04 0.00 0.00 33.50 32.76 2qbk n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbk n ALA 36 N -0.61 2.41 0.89 0.55 0.00 -1.26 -3.90 120.51 118.58 2qbk n ALA 36 Ca 0.17 -1.00 0.12 0.00 0.00 0.00 0.00 53.44 52.73 2qbk n ALA 36 Cb 0.13 -0.95 0.19 0.00 0.00 0.00 0.00 19.45 18.81 2qbk n ALA 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbk n LEU 37 N 1.20 0.57 0.00 0.00 7.94 -1.19 -4.17 117.00 121.35 2qbk n LEU 37 Ca 0.19 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2qbk n LEU 37 Cb 0.50 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2qbk n LEU 37 CO 0.14 0.10 0.23 0.18 -1.11 0.00 0.00 177.39 176.93 2qbk n LEU 38 N -1.64 0.93 0.33 -1.96 4.77 -1.25 -4.82 117.00 113.36 2qbk n LEU 38 Ca 0.05 -0.93 -0.17 0.00 -0.03 0.00 0.00 56.01 54.93 2qbk n LEU 38 Cb 0.36 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 2qbk n LEU 38 CO 0.36 0.23 0.60 0.17 -1.33 0.00 0.00 177.39 177.43 2qbk h LEU 39 N 0.00 -0.70 -1.07 2.23 8.10 -1.73 -2.89 115.31 119.25 2qbk h LEU 39 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2qbk h LEU 39 Cb 0.03 0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.43 2qbk h LEU 39 CO 0.00 -0.43 0.00 1.41 -4.11 0.00 0.00 178.44 175.31 2qbk n HIS 40 N -5.41 0.68 -1.52 0.17 8.25 -1.26 -1.80 115.22 114.32 2qbk n HIS 40 Ca -0.13 0.32 -0.19 0.00 -0.26 0.00 0.00 57.72 57.47 2qbk n HIS 40 Cb 0.35 -1.02 -0.17 0.00 1.12 0.00 0.00 29.99 30.27 2qbk n HIS 40 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qbk n LEU 41 N -2.17 -0.29 -4.58 2.41 4.32 -1.09 -4.37 117.00 111.22 2qbk n LEU 41 Ca -0.00 -0.88 -0.42 0.00 -0.02 0.00 0.00 56.01 54.69 2qbk n LEU 41 Cb 0.09 -0.94 -0.03 0.00 -1.62 0.00 0.00 43.42 40.92 2qbk n LEU 41 CO 0.12 -1.86 1.90 0.29 -1.22 0.00 0.00 177.39 176.61 2qbk n LYS 42 N 6.70 1.70 -3.24 3.23 5.02 -1.25 0.14 118.16 130.46 2qbk n LYS 42 Ca 0.60 0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 56.91 2qbk n LYS 42 Cb 0.24 -3.25 -0.06 0.00 -0.02 0.00 0.00 35.03 31.95 2qbk n LYS 42 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qbk s VAL 43 N 9.20 4.91 -1.24 -0.18 1.01 0.46 -4.69 120.40 129.87 2qbk s VAL 43 Ca 1.01 1.19 -0.19 0.00 0.00 0.00 0.00 61.98 63.99 2qbk s VAL 43 Cb -0.33 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 2qbk s VAL 43 CO 0.34 0.44 1.88 1.21 0.00 0.00 0.00 175.10 178.97 2qbk n GLU 44 N 2.57 2.51 -4.08 2.72 0.00 -1.26 -1.62 120.64 121.48 2qbk n GLU 44 Ca -0.08 -2.81 -0.35 0.00 0.00 0.00 0.00 57.16 53.92 2qbk n GLU 44 Cb 0.51 -3.49 -0.12 0.00 0.00 0.00 0.00 31.44 28.35 2qbk n GLU 44 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2qbk s TYR 45 N 6.22 3.09 -1.47 4.31 6.04 -0.58 -4.59 117.35 130.37 2qbk s TYR 45 Ca 0.58 -0.30 -0.05 0.00 0.04 0.00 0.00 57.07 57.33 2qbk s TYR 45 Cb 0.05 -2.08 0.01 0.00 -1.04 0.00 0.00 41.96 38.89 2qbk s TYR 45 CO 0.08 -0.13 0.20 0.66 -1.54 0.00 0.00 175.55 174.82 2qbk n TYR 46 N 4.05 -1.37 -0.54 4.97 0.53 -1.26 0.15 117.16 123.69 2qbk n TYR 46 Ca -0.17 0.56 0.00 0.00 -1.02 0.00 0.00 57.90 57.27 2qbk n TYR 46 Cb 0.52 -3.00 0.00 0.00 -1.03 0.00 0.00 39.34 35.83 2qbk n TYR 46 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbk n GLY 47 N -2.38 0.35 3.38 2.72 0.00 -1.26 -4.94 105.19 103.06 2qbk n GLY 47 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2qbk n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk s ALA 48 N -1.77 3.08 -1.32 4.61 0.00 0.40 -5.01 121.76 121.74 2qbk s ALA 48 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 2qbk s ALA 48 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2qbk s ALA 48 CO 0.00 -0.69 2.07 0.72 0.00 0.00 0.00 175.76 177.85 2qbk n HIS 49 N 4.89 3.54 -2.89 0.00 8.25 -1.23 -1.53 115.22 126.24 2qbk n HIS 49 Ca -0.16 -2.73 -0.40 0.00 -0.26 0.00 0.00 57.72 54.17 2qbk n HIS 49 Cb 0.50 -2.47 -0.05 0.00 1.12 0.00 0.00 29.99 29.09 2qbk n HIS 49 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2qbk s VAL 50 N 4.02 4.70 -0.05 1.59 -7.23 -0.64 -4.41 120.40 118.38 2qbk s VAL 50 Ca 0.51 1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 62.17 2qbk s VAL 50 Cb 0.11 -4.19 -0.07 0.00 0.56 0.00 0.00 36.38 32.79 2qbk s VAL 50 CO -0.01 0.32 1.95 -2.16 -0.31 0.00 0.00 175.10 174.89 2qbk s PRO 51 N 0.13 3.90 0.00 4.82 0.04 -1.26 0.17 135.00 142.80 2qbk s PRO 51 Ca 0.42 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2qbk s PRO 51 Cb -0.21 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2qbk s PRO 51 CO 0.25 -1.22 0.00 -0.11 0.04 0.00 0.00 177.00 175.96 2qbk n LEU 52 N 8.46 0.00 0.30 -3.56 0.00 0.38 0.27 117.00 122.85 2qbk n LEU 52 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.33 2qbk n LEU 52 Cb 0.43 0.00 0.48 0.00 0.00 0.00 0.00 43.42 44.32 2qbk n LEU 52 CO 0.66 0.00 1.08 -0.55 0.00 0.00 0.00 177.39 178.59 2qbk h ASN 53 N 0.00 0.00 -0.16 1.96 7.08 -1.65 0.82 115.58 123.63 2qbk h ASN 53 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2qbk h ASN 53 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2qbk h ASN 53 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.35 2qbk n GLN 54 N -2.79 1.74 0.00 4.14 6.02 0.14 -4.21 117.38 122.42 2qbk n GLN 54 Ca 0.00 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 2qbk n GLN 54 Cb 0.68 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.49 2qbk n GLN 54 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2qbk n ILE 55 N 0.11 0.00 -4.71 5.09 0.13 0.28 -5.02 119.36 115.23 2qbk n ILE 55 Ca 0.07 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.40 2qbk n ILE 55 Cb 0.34 -0.35 -0.07 0.00 -0.84 0.00 0.00 39.64 38.72 2qbk n ILE 55 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2qbk s ALA 56 N -1.95 3.92 -0.23 1.51 0.00 -0.64 -3.77 121.76 120.59 2qbk s ALA 56 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2qbk s ALA 56 Cb 0.00 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.39 2qbk s ALA 56 CO 0.00 -0.09 0.00 0.99 0.00 0.00 0.00 175.76 176.66 2qbk s THR 57 N -2.97 1.12 -0.30 0.00 2.01 -0.92 -4.21 115.64 110.36 2qbk s THR 57 Ca 0.07 -1.05 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2qbk s THR 57 Cb 0.01 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2qbk s THR 57 CO 0.05 -0.23 0.37 -0.69 -0.69 0.00 0.00 174.62 173.42 2qbk s VAL 58 N 1.57 5.17 0.35 3.82 1.01 -1.25 -1.36 120.40 129.71 2qbk s VAL 58 Ca -0.02 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.43 2qbk s VAL 58 Cb -0.18 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 2qbk s VAL 58 CO -0.09 0.07 0.00 0.42 0.00 0.00 0.00 175.10 175.50 2qbk s THR 59 N 2.06 2.51 -0.84 3.92 -4.23 -0.22 -4.69 115.64 114.14 2qbk s THR 59 Ca 0.14 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2qbk s THR 59 Cb -0.16 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.09 2qbk s THR 59 CO 0.11 -0.18 0.71 0.00 -0.54 0.00 0.00 174.62 174.72 2qbk s ALA 60 N -2.55 4.10 0.00 3.99 0.00 -1.26 -1.36 121.76 124.68 2qbk s ALA 60 Ca 0.35 -3.70 0.00 0.00 0.00 0.00 0.00 51.96 48.61 2qbk s ALA 60 Cb 0.01 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2qbk s ALA 60 CO 0.19 -2.15 0.80 -2.30 0.00 0.00 0.00 175.76 172.30 2qbk n PRO 61 N 2.65 0.00 -4.46 0.00 -0.02 -1.25 -4.77 135.00 127.16 2qbk n PRO 61 Ca 0.18 0.56 -0.23 0.00 -2.02 0.00 0.00 63.50 61.99 2qbk n PRO 61 Cb 0.38 -1.30 -0.10 0.00 -0.02 0.00 0.00 33.50 32.46 2qbk n PRO 61 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2qbk s ASP 62 N -2.52 3.43 0.67 2.55 -4.77 -1.25 -5.03 116.67 109.75 2qbk s ASP 62 Ca 0.00 -1.05 0.32 0.00 -3.30 0.00 0.00 52.55 48.53 2qbk s ASP 62 Cb 0.00 -0.28 1.76 0.00 -1.09 0.00 0.00 42.92 43.31 2qbk s ASP 62 CO 0.00 -0.02 1.99 -0.65 0.70 0.00 0.00 175.17 177.19 2qbk h PRO 63 N 2.29 0.00 -0.54 2.11 0.11 -1.91 -1.69 132.00 132.37 2qbk h PRO 63 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2qbk h PRO 63 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qbk h PRO 63 CO 0.61 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.94 2qbk n ARG 64 N -2.92 3.42 -3.50 1.05 3.00 -1.26 -3.82 116.66 112.64 2qbk n ARG 64 Ca -0.02 -2.72 -0.14 0.00 -0.01 0.00 0.00 57.85 54.95 2qbk n ARG 64 Cb 0.33 -1.76 -0.04 0.00 0.00 0.00 0.00 32.46 30.99 2qbk n ARG 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2qbk s THR 65 N -1.80 0.00 0.17 0.55 2.01 -0.63 0.47 115.64 116.40 2qbk s THR 65 Ca 0.45 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.51 2qbk s THR 65 Cb 0.29 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2qbk s THR 65 CO 0.21 0.00 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.78 2qbk s LEU 66 N -1.77 2.52 -0.12 4.42 2.96 -1.08 -3.76 118.68 121.84 2qbk s LEU 66 Ca -0.05 -0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 52.87 2qbk s LEU 66 Cb -0.00 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.14 2qbk s LEU 66 CO 0.00 -0.19 0.02 0.68 -1.32 0.00 0.00 176.35 175.54 2qbk s VAL 67 N -2.86 0.41 -0.72 1.68 -7.23 -0.47 -3.19 120.40 108.03 2qbk s VAL 67 Ca 0.18 -0.16 -0.11 0.00 -1.81 0.00 0.00 61.98 60.09 2qbk s VAL 67 Cb -0.01 -0.73 0.19 0.00 0.56 0.00 0.00 36.38 36.39 2qbk s VAL 67 CO 0.05 0.05 0.62 -0.69 -0.31 0.00 0.00 175.10 174.82 2qbk s VAL 68 N 1.94 4.96 -0.80 1.32 1.01 -1.14 -1.06 120.40 126.63 2qbk s VAL 68 Ca 0.03 -2.47 -0.26 0.00 0.00 0.00 0.00 61.98 59.28 2qbk s VAL 68 Cb -0.14 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.14 2qbk s VAL 68 CO -0.07 -0.95 1.42 -1.10 0.00 0.00 0.00 175.10 174.40 2qbk s GLN 69 N 0.32 3.19 -0.10 2.72 -0.21 -0.46 -2.55 119.66 122.56 2qbk s GLN 69 Ca 0.15 -0.35 -0.20 0.00 0.02 0.00 0.00 55.36 54.98 2qbk s GLN 69 Cb -0.16 -4.53 -0.04 0.00 1.00 0.00 0.00 33.01 29.29 2qbk s GLN 69 CO -0.06 -2.29 0.57 0.45 -2.12 0.00 0.00 175.29 171.84 2qbk s SER 70 N 4.75 6.80 0.04 5.90 0.15 0.21 -2.18 113.70 129.37 2qbk s SER 70 Ca 0.43 0.96 -0.28 0.00 0.70 0.00 0.00 55.95 57.76 2qbk s SER 70 Cb -0.07 -2.34 -0.17 0.00 -1.71 0.00 0.00 66.02 61.73 2qbk s SER 70 CO 0.09 -0.06 1.39 -0.50 1.20 0.00 0.00 173.24 175.36 2qbk h TRP 71 N 6.78 -0.60 -3.72 3.44 4.06 -1.82 -3.44 115.95 120.64 2qbk h TRP 71 Ca -0.41 -0.01 -0.49 0.00 2.06 0.00 0.00 58.89 60.04 2qbk h TRP 71 Cb 1.18 0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 29.54 2qbk h TRP 71 CO 0.64 -0.29 0.12 0.34 -3.56 0.00 0.00 178.44 175.68 2qbk s ASP 72 N -4.74 6.60 -0.17 -3.49 -1.08 -1.26 -5.03 116.67 107.50 2qbk s ASP 72 Ca -0.15 1.19 -0.24 0.00 -0.52 0.00 0.00 52.55 52.82 2qbk s ASP 72 Cb 0.03 -2.34 -0.21 0.00 -1.46 0.00 0.00 42.92 38.93 2qbk s ASP 72 CO 0.56 -0.35 0.48 0.06 0.52 0.00 0.00 175.17 176.45 2qbk h GLN 73 N 1.54 0.00 -0.21 4.34 3.07 -1.98 -2.98 115.11 118.88 2qbk h GLN 73 Ca -0.47 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.33 2qbk h GLN 73 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 2qbk h GLN 73 CO 0.64 0.92 0.19 -0.91 0.09 0.00 0.00 178.83 179.76 2qbk h ASN 74 N -1.00 0.00 1.04 0.06 4.21 -1.99 0.12 115.58 118.01 2qbk h ASN 74 Ca -0.14 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.19 2qbk h ASN 74 Cb 1.06 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.23 2qbk h ASN 74 CO -0.08 0.00 -1.01 0.00 -1.29 0.00 0.00 177.43 175.05 2qbk h ALA 75 N 1.83 0.56 -0.06 -0.83 0.00 -1.99 -3.23 119.26 115.53 2qbk h ALA 75 Ca 0.10 -0.84 -0.08 0.00 0.00 0.00 0.00 54.91 54.09 2qbk h ALA 75 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2qbk h ALA 75 CO -0.00 1.05 -0.35 1.25 0.00 0.00 0.00 179.25 181.19 2qbk h LEU 76 N 0.00 0.12 -0.16 0.00 6.46 -0.62 -1.65 115.31 119.46 2qbk h LEU 76 Ca -0.07 -0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.55 2qbk h LEU 76 Cb 1.65 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.55 2qbk h LEU 76 CO 0.09 0.47 -0.28 0.11 -0.62 0.00 0.00 178.44 178.22 2qbk h LYS 77 N 0.11 0.47 0.00 1.25 1.79 -1.45 -3.18 116.57 115.55 2qbk h LYS 77 Ca 0.01 -0.29 -0.05 0.00 -2.18 0.00 0.00 60.65 58.14 2qbk h LYS 77 Cb 0.68 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2qbk h LYS 77 CO 0.05 0.89 -0.25 0.00 -1.08 0.00 0.00 179.45 179.06 2qbk h ALA 78 N 0.57 1.15 0.50 3.86 0.00 -1.54 -2.93 119.26 120.88 2qbk h ALA 78 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2qbk h ALA 78 Cb 0.86 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2qbk h ALA 78 CO 0.06 0.31 -0.36 0.82 0.00 0.00 0.00 179.25 180.08 2qbk h ILE 79 N 0.00 0.00 -0.28 0.00 2.04 -1.28 -0.83 117.51 117.17 2qbk h ILE 79 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2qbk h ILE 79 Cb 0.63 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2qbk h ILE 79 CO 0.03 0.00 0.28 -0.08 0.00 0.00 0.00 178.15 178.39 2qbk h GLU 80 N -0.82 0.00 -0.06 2.37 4.81 -1.64 1.35 114.58 120.59 2qbk h GLU 80 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2qbk h GLU 80 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2qbk h GLU 80 CO 0.03 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.94 2qbk n LYS 81 N -3.85 1.01 0.00 1.92 5.02 -0.39 -3.21 118.16 118.67 2qbk n LYS 81 Ca 0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2qbk n LYS 81 Cb 0.43 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2qbk n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbk n ALA 82 N -0.45 0.13 -0.07 7.82 0.00 0.41 -4.87 120.51 123.48 2qbk n ALA 82 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2qbk n ALA 82 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 2qbk n ALA 82 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbk h ILE 83 N 0.00 0.47 0.00 0.00 1.08 0.02 -3.37 117.51 115.70 2qbk h ILE 83 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2qbk h ILE 83 Cb 0.00 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2qbk h ILE 83 CO 0.00 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.00 2qbk n ARG 84 N -5.35 0.00 -1.07 2.37 1.74 -1.26 -4.55 116.66 108.54 2qbk n ARG 84 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 2qbk n ARG 84 Cb 0.27 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.68 2qbk n ARG 84 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2qbk n ASP 85 N 0.00 -2.01 -3.48 0.55 9.92 -1.26 -4.81 116.55 115.46 2qbk n ASP 85 Ca 0.00 0.15 -0.12 0.00 -0.53 0.00 0.00 54.79 54.30 2qbk n ASP 85 Cb 0.00 -1.98 -0.03 0.00 -0.64 0.00 0.00 41.12 38.47 2qbk n ASP 85 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2qbk s SER 86 N -1.48 -0.48 0.44 -2.24 0.15 -1.26 -4.99 113.70 103.84 2qbk s SER 86 Ca 0.00 -0.09 0.15 0.00 0.70 0.00 0.00 55.95 56.71 2qbk s SER 86 Cb 0.00 0.57 0.81 0.00 -1.71 0.00 0.00 66.02 65.69 2qbk s SER 86 CO 0.00 -0.94 1.37 -2.24 1.20 0.00 0.00 173.24 172.63 2qbk h ASP 87 N 2.10 0.00 -0.92 5.45 -0.00 -1.96 -2.35 116.42 118.74 2qbk h ASP 87 Ca -0.34 0.00 0.27 0.00 -0.00 0.00 0.00 57.03 56.96 2qbk h ASP 87 Cb 1.29 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 40.47 2qbk h ASP 87 CO 0.40 0.00 0.29 -0.07 -0.00 0.00 0.00 179.24 179.86 2qbk h LEU 88 N 0.00 0.05 -3.02 0.15 4.07 -1.91 -3.46 115.31 111.19 2qbk h LEU 88 Ca 0.00 0.21 -0.06 0.00 0.08 0.00 0.00 57.88 58.11 2qbk h LEU 88 Cb 0.83 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2qbk h LEU 88 CO 0.00 -0.20 -1.00 0.61 -1.08 0.00 0.00 178.44 176.77 2qbk n GLY 89 N -1.37 -1.14 3.15 0.83 0.00 -0.89 -5.02 105.19 100.75 2qbk n GLY 89 Ca 0.24 0.38 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 2qbk n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbk s LEU 90 N -1.49 2.46 -0.46 0.99 1.43 -1.26 -5.03 118.68 115.33 2qbk s LEU 90 Ca 0.08 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 2qbk s LEU 90 Cb -0.01 -0.09 0.12 0.00 0.03 0.00 0.00 46.19 46.24 2qbk s LEU 90 CO 0.38 -0.42 0.20 0.21 0.23 0.00 0.00 176.35 176.95 2qbk s ASN 91 N -2.78 4.59 0.73 2.29 2.47 -1.26 -4.85 114.94 116.14 2qbk s ASN 91 Ca 0.08 -2.65 -0.12 0.00 0.42 0.00 0.00 52.86 50.58 2qbk s ASN 91 Cb 0.03 -1.66 0.04 0.00 -1.45 0.00 0.00 41.25 38.20 2qbk s ASN 91 CO -0.04 -0.31 1.10 -2.84 -3.72 0.00 0.00 177.10 171.29 2qbk s PRO 92 N 0.22 2.44 0.07 0.43 0.02 -1.26 -3.69 135.00 133.22 2qbk s PRO 92 Ca 0.14 1.28 0.08 0.00 0.02 0.00 0.00 61.00 62.52 2qbk s PRO 92 Cb -0.23 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 2qbk s PRO 92 CO -0.03 -1.52 -0.20 -1.54 -0.33 0.00 0.00 177.00 173.38 2qbk s SER 93 N -3.03 3.70 -0.70 2.53 1.04 0.64 -4.81 113.70 113.07 2qbk s SER 93 Ca 0.64 -0.51 -0.09 0.00 0.48 0.00 0.00 55.95 56.46 2qbk s SER 93 Cb -0.19 -0.52 0.18 0.00 0.10 0.00 0.00 66.02 65.60 2qbk s SER 93 CO 0.50 0.23 0.59 0.20 0.98 0.00 0.00 173.24 175.74 2qbk s ASN 94 N -1.66 6.02 -0.29 7.02 -0.87 -1.26 -1.28 114.94 122.62 2qbk s ASN 94 Ca 0.15 -2.65 -0.04 0.00 -1.57 0.00 0.00 52.86 48.75 2qbk s ASN 94 Cb -0.10 -2.05 0.10 0.00 -0.02 0.00 0.00 41.25 39.18 2qbk s ASN 94 CO 0.06 -0.51 0.12 -0.75 -2.57 0.00 0.00 177.10 173.45 2qbk s LYS 95 N 0.23 0.27 4.86 -0.60 2.47 -1.08 -5.05 119.74 120.86 2qbk s LYS 95 Ca 0.16 -0.60 0.00 0.00 -1.56 0.00 0.00 55.97 53.97 2qbk s LYS 95 Cb -0.16 -1.33 0.00 0.00 -1.46 0.00 0.00 37.83 34.87 2qbk s LYS 95 CO -0.05 -1.00 0.00 0.41 0.16 0.00 0.00 175.35 174.87 2qbk n GLY 96 N 5.18 0.83 0.26 5.54 0.00 -1.26 -3.28 105.19 112.46 2qbk n GLY 96 Ca -0.05 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.31 2qbk n GLY 96 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qbk n ASP 97 N 4.27 0.79 -4.11 1.61 5.75 -1.26 -4.88 116.55 118.71 2qbk n ASP 97 Ca 0.00 -1.44 -0.08 0.00 -0.01 0.00 0.00 54.79 53.26 2qbk n ASP 97 Cb 0.00 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 2qbk n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qbk s ALA 98 N -1.94 0.62 0.04 2.12 0.00 -1.21 0.65 121.76 122.05 2qbk s ALA 98 Ca 0.35 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2qbk s ALA 98 Cb 0.18 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2qbk s ALA 98 CO 0.28 -0.32 0.05 -0.51 0.00 0.00 0.00 175.76 175.26 2qbk s LEU 99 N -2.88 3.72 -0.20 0.00 1.43 -1.06 -2.63 118.68 117.06 2qbk s LEU 99 Ca 0.07 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2qbk s LEU 99 Cb 0.06 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2qbk s LEU 99 CO -0.08 0.22 -0.16 -0.31 0.23 0.00 0.00 176.35 176.25 2qbk s TYR 100 N -1.26 2.88 -0.04 0.29 2.02 -0.41 -2.88 117.35 117.96 2qbk s TYR 100 Ca 0.25 -1.67 0.05 0.00 -0.37 0.00 0.00 57.07 55.34 2qbk s TYR 100 Cb -0.12 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2qbk s TYR 100 CO 0.17 -0.79 -0.19 0.42 -1.57 0.00 0.00 175.55 173.59 2qbk s ILE 101 N 1.29 2.67 -0.16 2.71 1.01 -1.19 0.23 121.20 127.76 2qbk s ILE 101 Ca 0.03 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 2qbk s ILE 101 Cb -0.14 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2qbk s ILE 101 CO -0.11 0.58 0.63 0.21 0.00 0.00 0.00 174.94 176.26 2qbk s ASN 102 N -0.71 6.75 -0.47 3.58 3.04 -1.24 -2.62 114.94 123.27 2qbk s ASN 102 Ca 0.11 0.91 -0.16 0.00 0.04 0.00 0.00 52.86 53.76 2qbk s ASN 102 Cb -0.10 -2.36 0.06 0.00 -1.54 0.00 0.00 41.25 37.31 2qbk s ASN 102 CO 0.00 -0.21 0.44 -0.63 -3.04 0.00 0.00 177.10 173.65 2qbk s ILE 103 N 1.55 5.15 -0.25 -5.21 1.01 0.18 -4.63 121.20 119.00 2qbk s ILE 103 Ca 0.30 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 2qbk s ILE 103 Cb -0.16 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 2qbk s ILE 103 CO 0.12 -0.59 1.44 -2.84 0.00 0.00 0.00 174.94 173.07 2qbk s PRO 104 N 1.89 3.91 0.30 2.79 0.02 -1.26 -4.47 135.00 138.18 2qbk s PRO 104 Ca 0.07 1.48 -0.26 0.00 0.02 0.00 0.00 61.00 62.31 2qbk s PRO 104 Cb -0.22 -3.93 -0.15 0.00 0.02 0.00 0.00 34.50 30.22 2qbk s PRO 104 CO 0.09 -1.14 0.65 -0.35 -0.33 0.00 0.00 177.00 175.92 2qbk n PRO 105 N 7.38 0.59 -1.63 5.54 -0.04 -1.26 -4.77 135.00 140.81 2qbk n PRO 105 Ca 0.16 0.21 -0.48 0.00 -0.04 0.00 0.00 63.50 63.35 2qbk n PRO 105 Cb 0.46 -1.41 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2qbk n PRO 105 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2qbk n LEU 106 N 1.57 2.39 -4.65 1.53 -0.00 -1.26 -4.99 117.00 111.59 2qbk n LEU 106 Ca 0.13 1.11 -0.29 0.00 -0.00 0.00 0.00 56.01 56.96 2qbk n LEU 106 Cb 0.32 -1.32 0.19 0.00 -0.00 0.00 0.00 43.42 42.62 2qbk n LEU 106 CO 0.57 -0.70 0.63 -0.89 -0.00 0.00 0.00 177.39 177.00 2qbk s THR 107 N 0.54 1.93 -0.24 1.47 2.01 -1.26 -4.79 115.64 115.30 2qbk s THR 107 Ca 0.79 0.00 0.26 0.00 0.31 0.00 0.00 61.69 63.05 2qbk s THR 107 Cb -0.80 -2.48 0.33 0.00 0.01 0.00 0.00 72.50 69.56 2qbk s THR 107 CO 0.44 0.00 1.72 -0.33 -0.69 0.00 0.00 174.62 175.75 2qbk h GLU 108 N -2.07 0.00 0.01 4.92 4.39 -1.97 0.58 114.58 120.44 2qbk h GLU 108 Ca -0.54 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 2qbk h GLU 108 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2qbk h GLU 108 CO 0.54 0.05 -0.00 1.49 -1.16 0.00 0.00 179.01 179.92 2qbk h GLU 109 N 0.00 -0.01 0.00 2.33 4.57 -1.97 0.13 114.58 119.63 2qbk h GLU 109 Ca -0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2qbk h GLU 109 Cb 0.88 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2qbk h GLU 109 CO 0.01 0.72 -0.45 0.00 -1.18 0.00 0.00 179.01 178.11 2qbk h ARG 110 N -0.75 0.00 0.29 1.92 3.08 -1.94 0.11 114.38 117.09 2qbk h ARG 110 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qbk h ARG 110 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2qbk h ARG 110 CO 0.00 0.45 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.12 2qbk h ARG 111 N 0.00 -0.37 0.00 0.04 2.43 -0.91 0.00 114.38 115.57 2qbk h ARG 111 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2qbk h ARG 111 Cb 1.07 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2qbk h ARG 111 CO 0.06 -0.03 0.00 1.63 -1.51 0.00 0.00 179.97 180.11 2qbk n LYS 112 N -5.09 0.00 -0.41 0.20 5.02 0.46 -1.16 118.16 117.18 2qbk n LYS 112 Ca -0.09 0.43 0.34 0.00 -2.02 0.00 0.00 58.31 56.97 2qbk n LYS 112 Cb 0.27 -1.14 0.57 0.00 -0.02 0.00 0.00 35.03 34.70 2qbk n LYS 112 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qbk n ASP 113 N -1.29 0.15 0.04 4.39 8.00 0.38 -0.73 116.55 127.49 2qbk n ASP 113 Ca 0.00 1.10 -0.13 0.00 0.71 0.00 0.00 54.79 56.47 2qbk n ASP 113 Cb 0.00 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 40.47 2qbk n ASP 113 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qbk h LEU 114 N 0.00 -0.09 0.02 0.64 4.07 0.56 0.13 115.31 120.63 2qbk h LEU 114 Ca 0.73 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 58.39 2qbk h LEU 114 Cb 2.42 0.02 0.00 0.00 1.08 0.00 0.00 40.66 44.18 2qbk h LEU 114 CO -0.34 0.26 -0.01 0.58 -1.08 0.00 0.00 178.44 177.85 2qbk h VAL 115 N -0.45 1.13 -1.00 1.22 2.07 0.00 -1.79 116.25 117.42 2qbk h VAL 115 Ca -0.01 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 67.19 2qbk h VAL 115 Cb 0.39 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 2qbk h VAL 115 CO 0.02 0.11 0.63 0.08 0.02 0.00 0.00 177.57 178.43 2qbk h ARG 116 N -0.21 0.97 0.12 1.57 0.11 -1.51 0.29 114.38 115.72 2qbk h ARG 116 Ca -0.00 -0.06 0.01 0.00 0.10 0.00 0.00 59.98 60.03 2qbk h ARG 116 Cb 0.20 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 2qbk h ARG 116 CO 0.00 0.64 -0.19 0.00 0.10 0.00 0.00 179.97 180.53 2qbk h ALA 117 N 1.54 -0.33 0.51 0.08 0.00 -0.33 -1.59 119.26 119.14 2qbk h ALA 117 Ca 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2qbk h ALA 117 Cb 0.48 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qbk h ALA 117 CO -0.27 -0.72 -0.25 0.28 0.00 0.00 0.00 179.25 178.29 2qbk h VAL 118 N -0.37 0.48 -1.00 0.00 2.07 -0.41 -2.40 116.25 114.62 2qbk h VAL 118 Ca 0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.75 2qbk h VAL 118 Cb 0.38 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 2qbk h VAL 118 CO -0.10 0.00 0.61 0.03 0.02 0.00 0.00 177.57 178.14 2qbk h ARG 119 N -0.70 0.66 -0.61 1.57 3.08 -0.91 0.24 114.38 117.71 2qbk h ARG 119 Ca -0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2qbk h ARG 119 Cb 0.54 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2qbk h ARG 119 CO 0.11 0.44 0.34 0.37 -1.07 0.00 0.00 179.97 180.15 2qbk h GLN 120 N 0.68 0.85 -0.99 0.04 5.75 -1.03 -2.00 115.11 118.41 2qbk h GLN 120 Ca 0.58 -0.10 0.09 0.00 -0.15 0.00 0.00 58.65 59.07 2qbk h GLN 120 Cb 1.02 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 29.33 2qbk h GLN 120 CO -0.38 0.65 0.63 1.88 -2.65 0.00 0.00 178.83 178.96 2qbk h TYR 121 N 0.83 1.16 -0.29 3.99 0.05 -0.06 -1.76 116.97 120.89 2qbk h TYR 121 Ca 0.21 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.03 2qbk h TYR 121 Cb 0.04 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.39 2qbk h TYR 121 CO -0.01 0.54 0.18 0.00 -1.05 0.00 0.00 178.16 177.82 2qbk h ALA 122 N 1.49 0.37 -0.55 3.88 0.00 -0.64 -0.88 119.26 122.92 2qbk h ALA 122 Ca 0.46 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2qbk h ALA 122 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2qbk h ALA 122 CO -0.21 -0.14 0.35 1.49 0.00 0.00 0.00 179.25 180.73 2qbk h GLU 123 N 0.38 0.67 -0.18 0.00 4.57 -0.93 0.35 114.58 119.45 2qbk h GLU 123 Ca 0.11 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2qbk h GLU 123 Cb -0.01 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 2qbk h GLU 123 CO -0.02 0.45 -0.09 0.93 -1.18 0.00 0.00 179.01 179.10 2qbk h GLU 124 N 0.69 -0.07 -0.01 1.92 5.08 -1.05 0.46 114.58 121.61 2qbk h GLU 124 Ca 0.22 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2qbk h GLU 124 Cb -0.02 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2qbk h GLU 124 CO -0.08 -0.05 -0.28 0.78 -1.00 0.00 0.00 179.01 178.38 2qbk h GLY 125 N -0.07 -0.44 0.18 -3.84 0.00 -0.18 -0.75 103.07 97.96 2qbk h GLY 125 Ca 0.10 0.34 0.11 0.00 0.00 0.00 0.00 47.33 47.88 2qbk h GLY 125 CO -0.23 -0.22 0.12 3.21 0.00 0.00 0.00 176.54 179.42 2qbk h ARG 126 N -0.42 0.24 -0.11 4.80 3.08 0.16 -1.18 114.38 120.94 2qbk h ARG 126 Ca 0.06 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2qbk h ARG 126 Cb 0.51 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 2qbk h ARG 126 CO -0.25 0.16 -0.15 0.28 -1.07 0.00 0.00 179.97 178.94 2qbk h VAL 127 N 0.24 0.60 -0.32 2.04 2.07 -0.17 -1.27 116.25 119.45 2qbk h VAL 127 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.90 2qbk h VAL 127 Cb 0.46 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 2qbk h VAL 127 CO -0.41 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 176.95 2qbk h ALA 128 N 0.83 -0.05 -0.76 1.67 0.00 -0.04 0.48 119.26 121.39 2qbk h ALA 128 Ca 0.09 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2qbk h ALA 128 Cb 0.33 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2qbk h ALA 128 CO -0.23 -0.63 0.40 0.82 0.00 0.00 0.00 179.25 179.62 2qbk h ILE 129 N -0.20 0.88 -0.38 0.00 2.04 -0.78 -0.74 117.51 118.33 2qbk h ILE 129 Ca 0.16 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 2qbk h ILE 129 Cb 0.45 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2qbk h ILE 129 CO -0.43 0.12 -0.20 0.03 0.00 0.00 0.00 178.15 177.67 2qbk h ARG 130 N 0.68 0.73 -0.32 2.37 3.08 -0.43 -1.36 114.38 119.14 2qbk h ARG 130 Ca 0.37 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2qbk h ARG 130 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2qbk h ARG 130 CO -0.26 0.88 0.19 -0.91 -1.07 0.00 0.00 179.97 178.80 2qbk h ASN 131 N 0.64 0.38 -0.31 7.04 2.35 0.17 0.19 115.58 126.05 2qbk h ASN 131 Ca 0.09 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2qbk h ASN 131 Cb 0.69 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 2qbk h ASN 131 CO 0.05 0.31 0.16 0.40 -1.65 0.00 0.00 177.43 176.71 2qbk h ILE 132 N 0.41 1.00 -0.38 2.81 2.04 -0.94 0.25 117.51 122.70 2qbk h ILE 132 Ca 0.11 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2qbk h ILE 132 Cb 0.00 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 2qbk h ILE 132 CO -0.02 0.06 -0.12 -0.09 0.00 0.00 0.00 178.15 177.98 2qbk h ARG 133 N 0.34 -0.03 -0.01 2.37 2.43 -0.66 0.56 114.38 119.39 2qbk h ARG 133 Ca 0.13 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2qbk h ARG 133 Cb 0.03 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2qbk h ARG 133 CO -0.08 -0.02 -0.34 -0.09 -1.51 0.00 0.00 179.97 177.93 2qbk h ARG 134 N -0.03 -0.47 -0.60 0.20 2.43 0.56 0.25 114.38 116.72 2qbk h ARG 134 Ca 0.19 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 2qbk h ARG 134 Cb 0.31 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 2qbk h ARG 134 CO -0.41 -0.31 0.29 0.93 -1.51 0.00 0.00 179.97 178.95 2qbk h GLU 135 N -0.49 0.51 0.89 0.20 5.08 0.41 -1.49 114.58 119.69 2qbk h GLU 135 Ca 0.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2qbk h GLU 135 Cb 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2qbk h GLU 135 CO -0.28 0.34 -0.49 0.00 -1.00 0.00 0.00 179.01 177.58 2qbk h ALA 136 N 1.36 -1.31 -0.78 3.43 0.00 0.90 -1.62 119.26 121.24 2qbk h ALA 136 Ca 0.29 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 55.11 2qbk h ALA 136 Cb 0.26 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 2qbk h ALA 136 CO -0.23 -1.24 0.15 1.25 0.00 0.00 0.00 179.25 179.18 2qbk h LEU 137 N -1.28 -0.08 0.08 0.00 5.85 -0.32 0.20 115.31 119.77 2qbk h LEU 137 Ca -0.12 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2qbk h LEU 137 Cb 1.00 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2qbk h LEU 137 CO 0.16 -0.10 -0.23 0.44 -0.34 0.00 0.00 178.44 178.36 2qbk h ASP 138 N 0.21 -0.67 -0.45 1.25 3.32 -1.07 0.62 116.42 119.63 2qbk h ASP 138 Ca 0.45 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.68 2qbk h ASP 138 Cb 0.83 0.26 -0.10 0.00 0.22 0.00 0.00 39.33 40.54 2qbk h ASP 138 CO -0.59 -0.32 -0.25 0.11 -1.72 0.00 0.00 179.24 176.47 2qbk h LYS 139 N -0.41 -0.15 -0.21 3.56 1.57 0.29 -0.82 116.57 120.40 2qbk h LYS 139 Ca 0.04 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2qbk h LYS 139 Cb 0.45 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2qbk h LYS 139 CO -0.16 -0.10 -0.06 1.25 -0.57 0.00 0.00 179.45 179.81 2qbk h LEU 140 N -0.16 -0.22 -0.76 2.94 5.85 -0.38 0.24 115.31 122.82 2qbk h LEU 140 Ca 0.21 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.16 2qbk h LEU 140 Cb 0.49 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.52 2qbk h LEU 140 CO -0.55 -0.08 -0.08 0.50 -0.34 0.00 0.00 178.44 177.90 2qbk h LYS 141 N -0.02 0.05 -0.32 1.25 3.64 0.46 0.66 116.57 122.29 2qbk h LYS 141 Ca 0.10 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2qbk h LYS 141 Cb 0.17 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2qbk h LYS 141 CO -0.22 0.03 -0.21 0.87 -2.27 0.00 0.00 179.45 177.66 2qbk h LYS 142 N 0.05 0.60 0.48 1.90 1.79 -0.07 -2.46 116.57 118.87 2qbk h LYS 142 Ca 0.39 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 2qbk h LYS 142 Cb 0.67 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2qbk h LYS 142 CO -0.72 0.77 -0.23 1.25 -1.08 0.00 0.00 179.45 179.44 2qbk h LEU 143 N 0.53 -0.55 -1.13 2.94 5.85 0.35 -1.36 115.31 121.94 2qbk h LEU 143 Ca 0.08 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.00 2qbk h LEU 143 Cb 0.65 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 2qbk h LEU 143 CO 0.05 -0.32 0.61 0.00 -0.34 0.00 0.00 178.44 178.44 2qbk h ALA 144 N -1.56 1.77 -0.01 1.25 0.00 -0.82 0.57 119.26 120.47 2qbk h ALA 144 Ca -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2qbk h ALA 144 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qbk h ALA 144 CO 0.11 -0.10 -0.22 -0.22 0.00 0.00 0.00 179.25 178.82 2qbk h LYS 145 N 0.73 0.02 0.08 0.00 3.64 -1.40 0.33 116.57 119.96 2qbk h LYS 145 Ca 0.54 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.63 2qbk h LYS 145 Cb 0.88 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2qbk h LYS 145 CO -0.31 0.24 -1.45 1.49 -2.27 0.00 0.00 179.45 177.16 2qbk h GLU 146 N 0.02 0.17 -0.01 1.90 4.81 0.12 -3.34 114.58 118.24 2qbk h GLU 146 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2qbk h GLU 146 Cb 0.41 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2qbk h GLU 146 CO 0.03 1.01 -0.41 1.28 -0.73 0.00 0.00 179.01 180.20 2qbk n LEU 147 N -3.38 1.89 -3.18 1.64 4.77 0.63 -5.01 117.00 114.36 2qbk n LEU 147 Ca -0.13 -0.68 -0.07 0.00 -0.03 0.00 0.00 56.01 55.11 2qbk n LEU 147 Cb 1.02 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 42.11 2qbk n LEU 147 CO 0.49 0.35 0.22 1.41 -1.33 0.00 0.00 177.39 178.53 2qbk n HIS 148 N -0.06 -2.76 -2.63 -1.77 8.25 0.11 -5.01 115.22 111.36 2qbk n HIS 148 Ca 0.10 1.02 -0.27 0.00 -0.26 0.00 0.00 57.72 58.31 2qbk n HIS 148 Cb 0.45 -4.02 0.00 0.00 1.12 0.00 0.00 29.99 27.54 2qbk n HIS 148 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qbk s LEU 149 N -4.52 3.59 0.00 2.41 1.43 -1.04 -5.06 118.68 115.48 2qbk s LEU 149 Ca 0.14 0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.06 2qbk s LEU 149 Cb -0.02 -3.81 0.09 0.00 0.03 0.00 0.00 46.19 42.48 2qbk s LEU 149 CO 0.76 -0.64 0.58 -1.54 0.23 0.00 0.00 176.35 175.75 2qbk n SER 150 N -2.29 0.26 0.26 2.29 3.41 -1.26 -4.81 113.62 111.47 2qbk n SER 150 Ca 0.01 -1.34 -0.11 0.00 -0.26 0.00 0.00 58.87 57.17 2qbk n SER 150 Cb 0.55 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 2qbk n SER 150 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2qbk h GLU 151 N 0.00 -0.66 -1.02 4.33 4.81 -1.98 -0.76 114.58 119.29 2qbk h GLU 151 Ca -0.19 0.05 0.31 0.00 -0.13 0.00 0.00 59.36 59.39 2qbk h GLU 151 Cb 0.58 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 29.97 2qbk h GLU 151 CO 0.15 -0.44 0.60 -0.44 -0.73 0.00 0.00 179.01 178.15 2qbk h ASP 152 N -0.97 0.53 0.23 1.04 3.45 -1.98 0.44 116.42 119.16 2qbk h ASP 152 Ca -0.07 0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 2qbk h ASP 152 Cb 0.53 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 2qbk h ASP 152 CO 0.12 -0.08 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.27 2qbk h GLU 153 N 0.37 -0.30 0.24 3.56 5.08 -1.93 -1.98 114.58 119.62 2qbk h GLU 153 Ca 0.71 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.09 2qbk h GLU 153 Cb 1.62 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 2qbk h GLU 153 CO -0.55 0.07 -0.13 0.00 -1.00 0.00 0.00 179.01 177.39 2qbk h THR 154 N -0.78 0.72 0.52 1.13 1.03 0.45 -0.28 112.91 115.69 2qbk h THR 154 Ca -0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.35 2qbk h THR 154 Cb 0.51 0.72 -0.01 0.00 -1.07 0.00 0.00 68.15 68.29 2qbk h THR 154 CO 0.05 0.00 -0.42 0.11 -0.01 0.00 0.00 175.52 175.25 2qbk h LYS 155 N -0.35 -0.87 -0.96 0.00 1.79 -0.32 -1.68 116.57 114.17 2qbk h LYS 155 Ca -0.03 0.06 0.29 0.00 -2.18 0.00 0.00 60.65 58.79 2qbk h LYS 155 Cb 0.29 0.20 -0.17 0.00 -1.58 0.00 0.00 32.23 30.96 2qbk h LYS 155 CO 0.03 -0.58 0.18 -0.09 -1.08 0.00 0.00 179.45 177.91 2qbk h ARG 156 N -0.91 0.06 -0.17 3.15 9.65 -1.34 0.55 114.38 125.37 2qbk h ARG 156 Ca -0.07 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 2qbk h ARG 156 Cb 0.76 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.26 2qbk h ARG 156 CO 0.00 0.04 -0.49 0.00 2.80 0.00 0.00 179.97 182.33 2qbk h ALA 157 N 1.93 -0.73 -0.74 2.80 0.00 -0.14 0.43 119.26 122.81 2qbk h ALA 157 Ca 0.63 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.64 2qbk h ALA 157 Cb 1.39 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 2qbk h ALA 157 CO -0.82 -1.01 0.49 0.93 0.00 0.00 0.00 179.25 178.85 2qbk h GLU 158 N -0.52 0.49 0.87 0.00 5.08 0.59 -1.88 114.58 119.21 2qbk h GLU 158 Ca 0.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2qbk h GLU 158 Cb 0.65 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2qbk h GLU 158 CO -0.45 0.33 -0.44 0.00 -1.00 0.00 0.00 179.01 177.45 2qbk h ALA 159 N 1.64 -1.31 -0.70 3.43 0.00 0.18 -2.14 119.26 120.36 2qbk h ALA 159 Ca 0.36 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2qbk h ALA 159 Cb 0.68 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 2qbk h ALA 159 CO -0.12 -1.23 0.12 1.49 0.00 0.00 0.00 179.25 179.50 2qbk h GLU 160 N -1.20 0.21 -0.89 0.00 4.57 -0.22 0.31 114.58 117.36 2qbk h GLU 160 Ca -0.12 -0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.24 2qbk h GLU 160 Cb 0.93 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.36 2qbk h GLU 160 CO 0.18 0.14 0.43 0.82 -1.18 0.00 0.00 179.01 179.40 2qbk h ILE 161 N 0.21 0.58 0.42 2.32 1.08 -1.14 -0.05 117.51 120.93 2qbk h ILE 161 Ca 0.39 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.66 2qbk h ILE 161 Cb 0.66 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2qbk h ILE 161 CO -0.53 0.09 -0.20 -0.61 -0.69 0.00 0.00 178.15 176.22 2qbk h GLN 162 N 0.51 -0.54 -0.62 2.37 5.75 0.25 -0.67 115.11 122.16 2qbk h GLN 162 Ca 0.53 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 59.20 2qbk h GLN 162 Cb 0.91 0.12 -0.11 0.00 1.07 0.00 0.00 27.48 29.48 2qbk h GLN 162 CO -0.46 -0.25 -0.00 -0.22 -2.65 0.00 0.00 178.83 175.25 2qbk h LYS 163 N -0.78 0.11 0.04 1.69 3.64 -0.48 -0.11 116.57 120.67 2qbk h LYS 163 Ca -0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qbk h LYS 163 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2qbk h LYS 163 CO 0.09 0.07 -0.02 0.82 -2.27 0.00 0.00 179.45 178.15 2qbk h ILE 164 N 0.11 0.98 -0.13 2.00 2.04 -0.98 -2.02 117.51 119.52 2qbk h ILE 164 Ca 0.32 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 66.14 2qbk h ILE 164 Cb 0.53 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2qbk h ILE 164 CO -0.54 0.02 -0.45 0.74 0.00 0.00 0.00 178.15 177.92 2qbk h THR 165 N -0.08 0.00 -0.80 -0.27 2.02 0.38 -1.99 112.91 112.17 2qbk h THR 165 Ca -0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.29 2qbk h THR 165 Cb 0.07 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.39 2qbk h THR 165 CO 0.01 0.00 0.42 0.44 0.37 0.00 0.00 175.52 176.75 2qbk h ASP 166 N -0.47 0.53 -0.50 4.18 3.32 -1.05 -2.44 116.42 119.99 2qbk h ASP 166 Ca 0.03 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.21 2qbk h ASP 166 Cb 0.56 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.00 2qbk h ASP 166 CO -0.37 0.27 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.53 2qbk h GLU 167 N 0.65 -0.32 -0.46 3.56 5.08 -0.59 0.12 114.58 122.63 2qbk h GLU 167 Ca 0.41 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.81 2qbk h GLU 167 Cb 0.50 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2qbk h GLU 167 CO -0.31 -0.21 0.29 0.74 -1.00 0.00 0.00 179.01 178.52 2qbk h PHE 168 N -0.33 0.55 -1.00 4.33 -1.00 -1.29 -0.85 116.94 117.34 2qbk h PHE 168 Ca 0.09 0.01 0.26 0.00 2.81 0.00 0.00 57.97 61.14 2qbk h PHE 168 Cb 0.56 -0.18 -0.13 0.00 3.61 0.00 0.00 35.95 39.81 2qbk h PHE 168 CO -0.78 0.33 0.59 0.82 -1.61 0.00 0.00 178.31 177.66 2qbk h ILE 169 N 0.59 0.48 0.74 -0.55 1.08 -0.79 0.26 117.51 119.31 2qbk h ILE 169 Ca 0.17 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2qbk h ILE 169 Cb -0.04 -0.09 0.01 0.00 -3.07 0.00 0.00 36.82 33.63 2qbk h ILE 169 CO -0.05 0.09 -0.35 0.00 -0.69 0.00 0.00 178.15 177.15 2qbk h ALA 170 N 1.76 -1.23 -0.45 1.87 0.00 0.60 -1.23 119.26 120.59 2qbk h ALA 170 Ca 0.67 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.45 2qbk h ALA 170 Cb 1.33 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 19.41 2qbk h ALA 170 CO -0.51 -1.15 -0.24 -0.22 0.00 0.00 0.00 179.25 177.13 2qbk h LYS 171 N -1.02 -0.14 -0.32 0.00 3.11 -0.47 0.21 116.57 117.93 2qbk h LYS 171 Ca -0.10 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.81 2qbk h LYS 171 Cb 0.76 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.94 2qbk h LYS 171 CO 0.17 -0.09 -0.42 0.00 -2.81 0.00 0.00 179.45 176.29 2qbk h ALA 172 N 1.10 -0.46 -0.69 5.00 0.00 -0.53 0.12 119.26 123.79 2qbk h ALA 172 Ca 0.21 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2qbk h ALA 172 Cb 0.48 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 2qbk h ALA 172 CO -0.54 -0.87 0.31 -0.44 0.00 0.00 0.00 179.25 177.71 2qbk h ASP 173 N -0.37 0.36 0.11 0.00 3.32 0.07 -1.08 116.42 118.83 2qbk h ASP 173 Ca 0.12 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2qbk h ASP 173 Cb 0.59 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2qbk h ASP 173 CO -0.52 0.20 -0.26 -0.61 -1.72 0.00 0.00 179.24 176.33 2qbk h GLN 174 N 0.52 -0.39 -0.14 3.56 4.15 0.19 0.27 115.11 123.27 2qbk h GLN 174 Ca 0.35 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.83 2qbk h GLN 174 Cb 0.42 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.14 2qbk h GLN 174 CO -0.30 -0.26 -0.51 -0.07 -1.93 0.00 0.00 178.83 175.76 2qbk h LEU 175 N -0.41 -1.61 -0.60 -2.39 4.07 -0.84 0.37 115.31 113.89 2qbk h LEU 175 Ca -0.01 0.19 0.11 0.00 0.08 0.00 0.00 57.88 58.26 2qbk h LEU 175 Cb 0.39 0.63 -0.12 0.00 1.08 0.00 0.00 40.66 42.64 2qbk h LEU 175 CO -0.11 -0.45 -0.26 0.00 -1.08 0.00 0.00 178.44 176.54 2qbk h ALA 176 N -0.37 0.15 -0.37 1.53 0.00 -1.07 -0.37 119.26 118.75 2qbk h ALA 176 Ca 0.03 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2qbk h ALA 176 Cb 0.63 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2qbk h ALA 176 CO -0.41 -0.57 0.18 1.49 0.00 0.00 0.00 179.25 179.93 2qbk h GLU 177 N -0.10 0.36 0.06 0.00 4.22 0.15 -1.50 114.58 117.77 2qbk h GLU 177 Ca 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.69 2qbk h GLU 177 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2qbk h GLU 177 CO -0.67 0.24 -0.07 0.87 -2.18 0.00 0.00 179.01 177.20 2qbk h LYS 178 N 0.37 -0.15 -0.65 1.92 1.57 0.18 -2.08 116.57 117.72 2qbk h LYS 178 Ca 0.16 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 2qbk h LYS 178 Cb 0.08 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 2qbk h LYS 178 CO -0.12 -0.10 0.18 -0.22 -0.57 0.00 0.00 179.45 178.63 2qbk h LYS 179 N -0.15 0.31 -0.31 3.15 1.63 -0.90 -0.84 116.57 119.45 2qbk h LYS 179 Ca 0.01 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 2qbk h LYS 179 Cb 0.15 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.63 2qbk h LYS 179 CO -0.03 0.20 -0.35 0.93 -3.45 0.00 0.00 179.45 176.75 2qbk h GLU 180 N 0.32 -0.31 -0.01 1.90 5.08 -0.62 0.00 114.58 120.94 2qbk h GLU 180 Ca 0.35 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.75 2qbk h GLU 180 Cb 0.53 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2qbk h GLU 180 CO -0.41 -0.21 -0.09 1.96 -1.00 0.00 0.00 179.01 179.26 2qbk h GLN 181 N -0.32 -0.15 -0.68 2.33 4.20 -0.73 0.52 115.11 120.27 2qbk h GLN 181 Ca 0.14 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.96 2qbk h GLN 181 Cb 0.56 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.26 2qbk h GLN 181 CO -0.49 -0.10 -0.44 0.93 -0.67 0.00 0.00 178.83 178.06 2qbk h GLU 182 N -0.16 -0.16 -0.69 1.46 5.08 -0.09 0.11 114.58 120.13 2qbk h GLU 182 Ca 0.04 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2qbk h GLU 182 Cb 0.21 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2qbk h GLU 182 CO -0.10 -0.11 0.45 0.82 -1.00 0.00 0.00 179.01 179.07 2qbk h ILE 183 N -0.17 1.18 0.00 3.13 2.04 -0.67 0.43 117.51 123.45 2qbk h ILE 183 Ca 0.21 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2qbk h ILE 183 Cb 0.55 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2qbk h ILE 183 CO -0.76 0.18 0.00 0.18 0.00 0.00 0.00 178.15 177.75 2qbk n LEU 184 N -4.60 0.00 0.00 1.44 4.77 0.29 -4.98 117.00 113.93 2qbk n LEU 184 Ca 0.06 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2qbk n LEU 184 Cb 0.02 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2qbk n LEU 184 CO 0.36 -0.09 0.20 0.61 -1.33 0.00 0.00 177.39 177.14