#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh n ARG 3 N 0.00 0.01 -0.83 -0.14 0.63 -1.26 -4.74 116.66 110.33 2qbh n ARG 3 Ca 0.00 0.43 -0.34 0.00 -0.92 0.00 0.00 57.85 57.02 2qbh n ARG 3 Cb 0.00 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 31.52 2qbh n ARG 3 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2qbh n ARG 4 N -1.48 -0.44 -2.69 -0.14 3.00 -1.26 -4.99 116.66 108.67 2qbh n ARG 4 Ca 0.01 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.85 57.68 2qbh n ARG 4 Cb 0.03 -1.57 0.09 0.00 0.00 0.00 0.00 32.46 31.01 2qbh n ARG 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2qbh n VAL 5 N -3.49 0.37 0.00 5.15 0.24 -1.26 -5.07 118.33 114.27 2qbh n VAL 5 Ca 0.03 -2.06 0.00 0.00 -2.04 0.00 0.00 64.34 60.27 2qbh n VAL 5 Cb 0.57 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 2qbh n VAL 5 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2qbh n ILE 6 N -0.42 0.00 0.00 1.34 -6.64 -1.26 -5.01 119.36 107.36 2qbh n ILE 6 Ca 0.01 0.05 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 2qbh n ILE 6 Cb 0.84 -0.99 0.00 0.00 -1.44 0.00 0.00 39.64 38.05 2qbh n ILE 6 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qbh n GLY 7 N 0.23 2.37 3.65 3.28 0.00 -1.26 -5.06 105.19 108.40 2qbh n GLY 7 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 2qbh n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qbh s GLN 8 N 0.00 0.23 -0.41 1.61 0.74 -1.26 -5.12 119.66 115.45 2qbh s GLN 8 Ca 0.00 0.37 -0.24 0.00 0.05 0.00 0.00 55.36 55.54 2qbh s GLN 8 Cb 0.00 0.06 0.02 0.00 1.10 0.00 0.00 33.01 34.19 2qbh s GLN 8 CO 0.00 -0.04 0.84 0.50 -0.55 0.00 0.00 175.29 176.04 2qbh s ARG 9 N 0.98 3.62 0.11 1.67 3.52 -1.26 -5.00 118.95 122.60 2qbh s ARG 9 Ca -0.06 0.20 -0.33 0.00 -0.13 0.00 0.00 55.73 55.41 2qbh s ARG 9 Cb -0.03 -3.87 -0.13 0.00 -1.56 0.00 0.00 34.95 29.36 2qbh s ARG 9 CO -0.12 -1.03 1.69 1.17 -0.81 0.00 0.00 175.30 176.19 2qbh n LYS 10 N 6.74 2.31 -4.12 5.12 4.81 -1.26 -4.98 118.16 126.78 2qbh n LYS 10 Ca 0.04 0.84 -0.31 0.00 -0.87 0.00 0.00 58.31 58.00 2qbh n LYS 10 Cb 0.48 -2.64 -0.07 0.00 0.02 0.00 0.00 35.03 32.82 2qbh n LYS 10 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2qbh s ILE 11 N 1.80 4.44 0.08 3.15 1.09 -1.26 -5.08 121.20 125.42 2qbh s ILE 11 Ca 0.82 -0.67 -0.31 0.00 -1.10 0.00 0.00 60.65 59.39 2qbh s ILE 11 Cb -0.64 -3.07 -0.08 0.00 -1.06 0.00 0.00 42.46 37.61 2qbh s ILE 11 CO 0.40 0.23 1.52 -0.22 -0.10 0.00 0.00 174.94 176.77 2qbh s LEU 12 N -2.04 4.35 0.89 2.97 1.98 -1.26 -4.88 118.68 120.69 2qbh s LEU 12 Ca 0.25 2.38 -0.13 0.00 -2.89 0.00 0.00 54.13 53.74 2qbh s LEU 12 Cb -0.12 -3.57 0.05 0.00 0.66 0.00 0.00 46.19 43.21 2qbh s LEU 12 CO 0.17 -0.78 0.67 -0.81 -1.89 0.00 0.00 176.35 173.71 2qbh n PRO 13 N 4.90 -0.15 -1.63 0.98 -0.04 -1.26 -4.78 135.00 133.03 2qbh n PRO 13 Ca 0.14 0.01 -0.55 0.00 -0.04 0.00 0.00 63.50 63.06 2qbh n PRO 13 Cb 0.41 -2.03 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 2qbh n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2qbh n ASP 14 N -1.94 1.70 0.00 3.54 -0.08 -1.14 -4.62 116.55 114.01 2qbh n ASP 14 Ca 0.09 1.11 0.08 0.00 -1.51 0.00 0.00 54.79 54.56 2qbh n ASP 14 Cb 0.52 -1.13 0.34 0.00 2.34 0.00 0.00 41.12 43.19 2qbh n ASP 14 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2qbh n PRO 15 N 3.39 0.04 0.00 -0.67 -0.04 -1.26 0.15 135.00 136.60 2qbh n PRO 15 Ca 0.22 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2qbh n PRO 15 Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2qbh n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2qbh n LYS 16 N -1.46 2.81 0.00 0.54 0.00 -1.26 -4.78 118.16 114.01 2qbh n LYS 16 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 58.31 58.26 2qbh n LYS 16 Cb 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 34.74 2qbh n LYS 16 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qbh n PHE 17 N -0.43 0.00 -3.79 5.64 3.01 -1.20 -5.07 117.46 115.62 2qbh n PHE 17 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 2qbh n PHE 17 Cb 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 2qbh n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbh n GLY 18 N 0.00 -1.32 2.88 1.37 0.00 0.39 -4.80 105.19 103.71 2qbh n GLY 18 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.49 2qbh n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qbh s SER 19 N -2.99 0.67 0.39 1.61 1.04 -1.26 -4.60 113.70 108.57 2qbh s SER 19 Ca 0.00 0.14 0.18 0.00 0.48 0.00 0.00 55.95 56.75 2qbh s SER 19 Cb -0.00 0.78 1.09 0.00 0.10 0.00 0.00 66.02 67.99 2qbh s SER 19 CO 0.90 -0.30 1.76 -0.33 0.98 0.00 0.00 173.24 176.25 2qbh h GLU 20 N 8.25 0.39 0.47 4.02 5.08 -1.90 0.83 114.58 131.73 2qbh h GLU 20 Ca -0.18 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2qbh h GLU 20 Cb 1.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2qbh h GLU 20 CO 0.25 0.26 -0.38 1.37 -1.00 0.00 0.00 179.01 179.51 2qbh h LEU 21 N 0.41 -1.00 -1.20 1.33 -0.00 -1.97 -2.59 115.31 110.29 2qbh h LEU 21 Ca 0.60 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 58.58 2qbh h LEU 21 Cb 1.50 0.31 -0.05 0.00 -0.00 0.00 0.00 40.66 42.43 2qbh h LEU 21 CO -0.31 -0.53 0.55 -0.07 -0.00 0.00 0.00 178.44 178.07 2qbh h LEU 22 N -0.82 0.90 -0.21 0.17 3.38 -1.75 -3.14 115.31 113.84 2qbh h LEU 22 Ca -0.06 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2qbh h LEU 22 Cb 0.69 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2qbh h LEU 22 CO 0.01 0.62 -0.24 0.00 0.09 0.00 0.00 178.44 178.92 2qbh h ALA 23 N 1.51 -0.47 -0.64 1.53 0.00 -0.54 0.80 119.26 121.45 2qbh h ALA 23 Ca 0.33 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.41 2qbh h ALA 23 Cb 0.01 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2qbh h ALA 23 CO -0.09 -0.59 0.45 -0.22 0.00 0.00 0.00 179.25 178.80 2qbh h LYS 24 N -0.15 0.09 -0.18 0.00 3.64 -1.43 0.13 116.57 118.68 2qbh h LYS 24 Ca 0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2qbh h LYS 24 Cb 0.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2qbh h LYS 24 CO -0.27 0.06 0.05 0.35 -2.27 0.00 0.00 179.45 177.37 2qbh h PHE 25 N 0.09 0.29 0.00 1.91 3.57 -0.90 0.61 116.94 122.51 2qbh h PHE 25 Ca 0.31 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2qbh h PHE 25 Cb 1.09 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2qbh h PHE 25 CO -0.00 0.38 0.00 1.33 -2.23 0.00 0.00 178.31 177.79 2qbh n VAL 26 N -4.81 1.18 -0.04 1.41 0.24 -0.04 -1.85 118.33 114.42 2qbh n VAL 26 Ca -0.04 0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 62.45 2qbh n VAL 26 Cb 0.15 -1.18 -0.14 0.00 -1.47 0.00 0.00 33.84 31.20 2qbh n VAL 26 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2qbh n ASN 27 N -1.67 1.18 -0.07 -1.34 3.02 -0.58 -3.26 115.26 112.54 2qbh n ASN 27 Ca 0.02 0.23 -0.11 0.00 -0.03 0.00 0.00 54.58 54.70 2qbh n ASN 27 Cb 0.14 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2qbh n ASN 27 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2qbh h ILE 28 N 0.02 1.23 0.00 2.41 1.08 -0.16 -2.72 117.51 119.37 2qbh h ILE 28 Ca -0.40 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.26 2qbh h ILE 28 Cb 2.05 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 37.12 2qbh h ILE 28 CO 0.06 0.24 -0.20 0.25 -0.69 0.00 0.00 178.15 177.81 2qbh h LEU 29 N 0.15 0.00 -9.92 1.44 6.46 -1.67 -3.45 115.31 108.33 2qbh h LEU 29 Ca 0.06 0.00 -0.57 0.00 -0.12 0.00 0.00 57.88 57.26 2qbh h LEU 29 Cb 0.33 0.00 0.16 0.00 -0.73 0.00 0.00 40.66 40.42 2qbh h LEU 29 CO 0.01 0.20 0.27 0.80 -0.62 0.00 0.00 178.44 179.09 2qbh n MET 30 N -3.39 1.04 -3.92 1.25 1.56 -1.03 -4.91 117.12 107.72 2qbh n MET 30 Ca -0.00 0.40 -0.10 0.00 -0.27 0.00 0.00 57.70 57.73 2qbh n MET 30 Cb 0.40 -2.29 -0.10 0.00 2.15 0.00 0.00 33.22 33.38 2qbh n MET 30 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2qbh s VAL 31 N -1.45 0.12 -0.61 1.12 0.11 -1.26 -4.87 120.40 113.55 2qbh s VAL 31 Ca 0.77 -0.95 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2qbh s VAL 31 Cb -0.41 -0.67 0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2qbh s VAL 31 CO 0.46 -0.52 0.15 0.47 -3.33 0.00 0.00 175.10 172.33 2qbh n ASP 32 N 1.08 -1.88 -3.31 3.54 10.43 -1.26 0.69 116.55 125.85 2qbh n ASP 32 Ca -0.21 0.07 -0.24 0.00 2.57 0.00 0.00 54.79 56.99 2qbh n ASP 32 Cb 0.57 -1.68 0.04 0.00 1.84 0.00 0.00 41.12 41.89 2qbh n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qbh n GLY 33 N -0.71 -0.52 2.77 0.44 0.00 -1.26 -4.90 105.19 101.00 2qbh n GLY 33 Ca -0.00 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2qbh n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbh n LYS 34 N -4.33 4.67 -0.25 1.61 5.02 0.22 -4.86 118.16 120.24 2qbh n LYS 34 Ca -0.05 -4.66 0.05 0.00 -2.02 0.00 0.00 58.31 51.63 2qbh n LYS 34 Cb 0.59 -2.44 0.18 0.00 -0.02 0.00 0.00 35.03 33.34 2qbh n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qbh h LYS 35 N 4.43 0.29 0.30 1.97 3.64 -1.90 -1.77 116.57 123.53 2qbh h LYS 35 Ca 0.36 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2qbh h LYS 35 Cb 0.46 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2qbh h LYS 35 CO 1.16 0.19 -0.40 0.66 -2.27 0.00 0.00 179.45 178.79 2qbh h SER 36 N 0.30 -1.14 -0.47 4.20 4.64 -1.98 0.19 113.55 119.30 2qbh h SER 36 Ca 0.41 0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.92 2qbh h SER 36 Cb 0.68 0.39 -0.10 0.00 -0.31 0.00 0.00 62.40 63.06 2qbh h SER 36 CO -0.48 -0.49 -0.32 0.74 -0.87 0.00 0.00 176.83 175.40 2qbh h THR 37 N -0.73 0.21 0.10 2.95 2.02 -1.89 -1.24 112.91 114.34 2qbh h THR 37 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2qbh h THR 37 Cb 0.65 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2qbh h THR 37 CO -0.10 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.60 2qbh h ALA 38 N 0.86 -0.78 -0.99 6.16 0.00 -1.04 -1.27 119.26 122.20 2qbh h ALA 38 Ca 0.19 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2qbh h ALA 38 Cb 0.54 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 2qbh h ALA 38 CO -0.59 -0.81 -0.58 0.93 0.00 0.00 0.00 179.25 178.20 2qbh h GLU 39 N -0.30 -0.01 -0.67 0.00 5.08 -0.28 0.35 114.58 118.76 2qbh h GLU 39 Ca -0.01 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2qbh h GLU 39 Cb 0.28 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 2qbh h GLU 39 CO -0.07 -0.01 0.11 0.77 -1.00 0.00 0.00 179.01 178.81 2qbh h SER 40 N -0.01 -0.08 -0.72 1.42 0.02 -1.13 0.54 113.55 113.59 2qbh h SER 40 Ca 0.17 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 2qbh h SER 40 Cb 0.43 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2qbh h SER 40 CO -0.94 -0.05 0.47 0.40 -1.14 0.00 0.00 176.83 175.57 2qbh h ILE 41 N 0.22 1.15 0.15 3.27 2.04 0.78 -0.43 117.51 124.68 2qbh h ILE 41 Ca 0.36 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 2qbh h ILE 41 Cb 0.59 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2qbh h ILE 41 CO -0.49 0.17 -0.09 0.58 0.00 0.00 0.00 178.15 178.32 2qbh h VAL 42 N 0.94 0.81 -0.74 1.67 2.07 0.14 -3.03 116.25 118.11 2qbh h VAL 42 Ca 0.28 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.73 2qbh h VAL 42 Cb -0.06 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2qbh h VAL 42 CO -0.08 0.00 0.22 1.88 0.02 0.00 0.00 177.57 179.61 2qbh h TYR 43 N -0.23 1.21 -0.37 1.57 0.05 -0.99 -0.29 116.97 117.90 2qbh h TYR 43 Ca -0.01 -0.12 0.07 0.00 0.05 0.00 0.00 58.73 58.71 2qbh h TYR 43 Cb 0.19 -0.35 -0.09 0.00 1.01 0.00 0.00 36.73 37.50 2qbh h TYR 43 CO -0.08 0.95 -0.41 1.03 -1.05 0.00 0.00 178.16 178.60 2qbh h SER 44 N 1.11 -1.34 0.94 3.88 0.87 -0.96 0.56 113.55 118.62 2qbh h SER 44 Ca 0.24 0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.85 2qbh h SER 44 Cb 0.32 0.59 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2qbh h SER 44 CO -0.01 -0.37 -0.74 0.00 -0.53 0.00 0.00 176.83 175.19 2qbh h ALA 45 N 0.46 0.66 -0.17 6.23 0.00 -1.52 -2.61 119.26 122.31 2qbh h ALA 45 Ca 0.14 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2qbh h ALA 45 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2qbh h ALA 45 CO -0.55 0.93 0.09 1.25 0.00 0.00 0.00 179.25 180.97 2qbh h LEU 46 N 0.00 0.21 -0.74 0.00 5.85 0.27 -0.11 115.31 120.78 2qbh h LEU 46 Ca -0.01 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 2qbh h LEU 46 Cb 1.41 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2qbh h LEU 46 CO 0.10 0.24 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.79 2qbh h GLU 47 N 0.16 0.60 -0.09 1.25 4.39 0.03 -2.42 114.58 118.51 2qbh h GLU 47 Ca 0.06 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2qbh h GLU 47 Cb 0.08 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2qbh h GLU 47 CO -0.01 0.84 0.06 1.15 -1.16 0.00 0.00 179.01 179.89 2qbh h THR 48 N 0.51 1.03 0.22 1.13 2.02 -1.06 0.83 112.91 117.59 2qbh h THR 48 Ca 0.06 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2qbh h THR 48 Cb 0.80 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2qbh h THR 48 CO 0.07 0.03 -0.10 0.25 0.37 0.00 0.00 175.52 176.13 2qbh h LEU 49 N 0.11 -0.25 -0.70 2.58 6.46 -0.97 -0.05 115.31 122.49 2qbh h LEU 49 Ca 0.03 -0.05 0.14 0.00 -0.12 0.00 0.00 57.88 57.89 2qbh h LEU 49 Cb -0.00 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 39.89 2qbh h LEU 49 CO -0.01 -0.11 0.18 0.00 -0.62 0.00 0.00 178.44 177.88 2qbh h ALA 50 N 0.41 0.90 -0.09 1.25 0.00 -1.30 0.32 119.26 120.77 2qbh h ALA 50 Ca -0.03 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qbh h ALA 50 Cb 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2qbh h ALA 50 CO 0.05 -0.31 0.02 0.37 0.00 0.00 0.00 179.25 179.39 2qbh h GLN 51 N 0.30 0.06 0.25 0.00 -0.00 -0.45 0.78 115.11 116.06 2qbh h GLN 51 Ca 0.39 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.03 2qbh h GLN 51 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 2qbh h GLN 51 CO -0.46 0.04 -0.30 0.00 0.00 0.00 0.00 178.83 178.11 2qbh h ARG 52 N 0.07 -0.54 0.00 1.69 3.08 0.80 -0.26 114.38 119.21 2qbh h ARG 52 Ca 0.04 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2qbh h ARG 52 Cb 0.02 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2qbh h ARG 52 CO -0.04 -0.36 0.00 -1.13 -1.07 0.00 0.00 179.97 177.37 2qbh n SER 53 N -4.19 0.00 0.00 7.04 3.41 -0.08 -4.83 113.62 114.97 2qbh n SER 53 Ca -0.07 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2qbh n SER 53 Cb 0.27 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2qbh n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbh n GLY 54 N -0.06 1.58 3.85 5.00 0.00 0.27 -4.93 105.19 110.89 2qbh n GLY 54 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2qbh n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbh s LYS 55 N 0.00 3.94 0.65 1.61 -2.85 -0.92 -4.74 119.74 117.43 2qbh s LYS 55 Ca 0.00 0.80 -0.17 0.00 -1.00 0.00 0.00 55.97 55.59 2qbh s LYS 55 Cb 0.00 -2.25 -0.09 0.00 -2.06 0.00 0.00 37.83 33.42 2qbh s LYS 55 CO 0.00 -0.12 0.21 0.45 0.10 0.00 0.00 175.35 175.99 2qbh n SER 56 N -1.23 -2.33 -0.00 0.03 2.88 -1.26 -4.21 113.62 107.49 2qbh n SER 56 Ca 0.05 0.61 -0.10 0.00 -1.33 0.00 0.00 58.87 58.10 2qbh n SER 56 Cb 0.54 -1.06 -0.05 0.00 -0.75 0.00 0.00 64.21 62.90 2qbh n SER 56 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2qbh h GLU 57 N -0.17 -0.01 -1.07 -1.46 3.07 -1.88 -2.71 114.58 110.35 2qbh h GLU 57 Ca -0.44 0.00 0.31 0.00 -0.50 0.00 0.00 59.36 58.73 2qbh h GLU 57 Cb 1.39 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.25 2qbh h GLU 57 CO 0.42 -0.01 0.77 1.37 -1.40 0.00 0.00 179.01 180.16 2qbh h LEU 58 N -0.01 0.00 0.01 1.33 -0.00 -1.91 0.99 115.31 115.71 2qbh h LEU 58 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2qbh h LEU 58 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2qbh h LEU 58 CO -0.11 0.00 -0.00 -0.33 -0.00 0.00 0.00 178.44 177.99 2qbh h GLU 59 N 0.00 -0.01 -0.49 0.17 5.08 -1.83 -2.44 114.58 115.06 2qbh h GLU 59 Ca 0.51 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.99 2qbh h GLU 59 Cb 2.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 2qbh h GLU 59 CO -0.01 0.43 0.35 0.00 -1.00 0.00 0.00 179.01 178.78 2qbh h ALA 60 N -0.56 2.29 0.53 3.43 0.00 -1.08 0.18 119.26 124.05 2qbh h ALA 60 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qbh h ALA 60 Cb 0.44 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2qbh h ALA 60 CO 0.00 -0.42 -0.25 0.35 0.00 0.00 0.00 179.25 178.93 2qbh h PHE 61 N 0.13 -0.66 -0.88 0.00 3.57 0.92 -1.97 116.94 118.06 2qbh h PHE 61 Ca 0.23 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.77 2qbh h PHE 61 Cb 0.75 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 2qbh h PHE 61 CO -0.00 -0.34 0.56 1.49 -2.23 0.00 0.00 178.31 177.78 2qbh h GLU 62 N -0.90 1.01 0.11 1.11 4.22 -0.66 -2.16 114.58 117.31 2qbh h GLU 62 Ca -0.07 -0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.33 2qbh h GLU 62 Cb 0.61 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2qbh h GLU 62 CO 0.12 0.67 -0.37 0.28 -2.18 0.00 0.00 179.01 177.53 2qbh h VAL 63 N 1.04 0.23 -0.25 0.32 2.07 -0.60 0.44 116.25 119.50 2qbh h VAL 63 Ca 0.37 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.95 2qbh h VAL 63 Cb 0.10 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 2qbh h VAL 63 CO -0.15 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.25 2qbh h ALA 64 N -0.02 -0.03 -0.73 1.67 0.00 -0.98 -1.61 119.26 117.56 2qbh h ALA 64 Ca 0.03 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2qbh h ALA 64 Cb 0.63 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2qbh h ALA 64 CO -0.22 -0.61 0.45 -0.07 0.00 0.00 0.00 179.25 178.80 2qbh h LEU 65 N -0.19 0.72 -1.08 0.00 4.07 -0.97 -2.09 115.31 115.77 2qbh h LEU 65 Ca 0.14 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2qbh h LEU 65 Cb 0.40 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2qbh h LEU 65 CO -0.36 0.48 0.59 -0.33 -1.08 0.00 0.00 178.44 177.74 2qbh h GLU 66 N 0.86 0.00 0.00 1.13 5.08 0.90 1.03 114.58 123.57 2qbh h GLU 66 Ca 0.31 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.37 2qbh h GLU 66 Cb 0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2qbh h GLU 66 CO -0.14 0.00 -2.12 0.09 -1.00 0.00 0.00 179.01 175.84 2qbh n ASN 67 N -2.62 2.40 -0.03 1.42 3.02 -0.82 -4.54 115.26 114.08 2qbh n ASN 67 Ca -0.01 -0.08 -0.07 0.00 -0.03 0.00 0.00 54.58 54.39 2qbh n ASN 67 Cb 0.62 -0.33 0.10 0.00 -0.61 0.00 0.00 39.78 39.56 2qbh n ASN 67 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qbh h VAL 68 N -0.06 1.28 -1.71 2.41 2.07 -0.54 -3.45 116.25 116.26 2qbh h VAL 68 Ca -0.44 -1.46 -0.70 0.00 0.82 0.00 0.00 66.70 64.92 2qbh h VAL 68 Cb 1.66 1.41 0.02 0.00 -1.52 0.00 0.00 31.29 32.86 2qbh h VAL 68 CO -0.09 0.47 0.95 0.54 0.02 0.00 0.00 177.57 179.46 2qbh n ARG 69 N -4.07 1.48 0.00 1.57 1.74 0.34 -4.65 116.66 113.07 2qbh n ARG 69 Ca -0.01 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2qbh n ARG 69 Cb 0.48 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 2qbh n ARG 69 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qbh n PRO 70 N 5.66 3.43 0.00 5.56 -0.04 -1.26 -4.99 135.00 143.37 2qbh n PRO 70 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2qbh n PRO 70 Cb 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 2qbh n PRO 70 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2qbh n THR 71 N 0.00 0.00 -3.81 0.52 5.66 -1.26 -5.03 114.28 110.36 2qbh n THR 71 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2qbh n THR 71 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 2qbh n THR 71 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2qbh s VAL 72 N 0.00 0.02 0.30 1.08 -7.23 -1.26 0.26 120.40 113.57 2qbh s VAL 72 Ca 0.00 -0.14 -0.06 0.00 -1.81 0.00 0.00 61.98 59.96 2qbh s VAL 72 Cb 0.00 -0.32 -0.00 0.00 0.56 0.00 0.00 36.38 36.62 2qbh s VAL 72 CO 0.00 -0.08 0.46 -1.83 -0.31 0.00 0.00 175.10 173.35 2qbh s GLU 73 N -0.22 1.75 -0.01 4.82 -1.05 0.56 -4.06 118.70 120.50 2qbh s GLU 73 Ca -0.03 -1.56 -0.03 0.00 -0.15 0.00 0.00 54.97 53.19 2qbh s GLU 73 Cb -0.03 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 2qbh s GLU 73 CO 0.01 -0.72 0.19 0.14 0.95 0.00 0.00 175.26 175.83 2qbh s VAL 74 N -3.42 5.42 -0.24 1.83 -7.23 -1.26 0.99 120.40 116.48 2qbh s VAL 74 Ca 0.28 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2qbh s VAL 74 Cb -0.00 -3.54 0.07 0.00 0.56 0.00 0.00 36.38 33.46 2qbh s VAL 74 CO 0.15 0.33 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.50 2qbh s LYS 75 N -1.92 1.43 0.25 4.82 2.36 0.15 -4.94 119.74 121.90 2qbh s LYS 75 Ca 0.27 -1.00 -0.28 0.00 -2.55 0.00 0.00 55.97 52.41 2qbh s LYS 75 Cb -0.13 -2.53 -0.15 0.00 -1.05 0.00 0.00 37.83 33.97 2qbh s LYS 75 CO 0.18 -0.66 0.80 0.45 1.55 0.00 0.00 175.35 177.67 2qbh n SER 76 N 4.70 0.21 -3.35 1.43 2.88 -1.26 -3.87 113.62 114.36 2qbh n SER 76 Ca -0.10 1.16 -0.15 0.00 -1.33 0.00 0.00 58.87 58.44 2qbh n SER 76 Cb 0.44 -1.15 -0.07 0.00 -0.75 0.00 0.00 64.21 62.68 2qbh n SER 76 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2qbh s ARG 77 N -1.32 0.64 -0.98 -1.46 6.06 -0.66 -4.96 118.95 116.27 2qbh s ARG 77 Ca 0.61 -0.79 -0.25 0.00 -2.50 0.00 0.00 55.73 52.80 2qbh s ARG 77 Cb -0.80 -0.66 -0.09 0.00 0.06 0.00 0.00 34.95 33.46 2qbh s ARG 77 CO 0.58 -1.19 2.05 0.50 -2.50 0.00 0.00 175.30 174.74 2qbh s ARG 78 N 1.49 2.21 -0.07 5.12 3.00 -1.26 -2.99 118.95 126.44 2qbh s ARG 78 Ca 0.17 -0.40 0.04 0.00 -1.00 0.00 0.00 55.73 54.54 2qbh s ARG 78 Cb -0.14 -5.05 0.00 0.00 0.00 0.00 0.00 34.95 29.76 2qbh s ARG 78 CO -0.05 -3.98 -0.18 0.08 0.00 0.00 0.00 175.30 171.18 2qbh s VAL 79 N 11.99 1.56 -0.64 7.11 1.01 -1.04 -4.80 120.40 135.59 2qbh s VAL 79 Ca 0.75 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 2qbh s VAL 79 Cb -0.06 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 2qbh s VAL 79 CO 0.07 0.45 0.53 0.61 0.00 0.00 0.00 175.10 176.75 2qbh n GLY 80 N 3.50 0.02 3.90 4.51 0.00 -1.26 -3.10 105.19 112.76 2qbh n GLY 80 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2qbh n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbh n GLY 81 N -1.07 0.00 3.08 -0.02 0.00 -1.26 -4.85 105.19 101.07 2qbh n GLY 81 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2qbh n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qbh s SER 82 N -1.54 1.73 0.56 1.61 1.04 -1.18 -5.14 113.70 110.77 2qbh s SER 82 Ca 0.00 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 2qbh s SER 82 Cb 0.00 -0.41 -0.06 0.00 0.10 0.00 0.00 66.02 65.64 2qbh s SER 82 CO 0.00 0.13 1.01 0.42 0.98 0.00 0.00 173.24 175.77 2qbh s THR 83 N 0.02 4.53 -0.01 2.02 -4.23 -1.26 -2.50 115.64 114.20 2qbh s THR 83 Ca -0.02 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 2qbh s THR 83 Cb -0.09 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.02 2qbh s THR 83 CO 0.01 -0.82 -0.01 -0.31 -0.54 0.00 0.00 174.62 172.95 2qbh s TYR 84 N -2.79 0.17 -0.90 3.99 4.12 -1.16 -4.93 117.35 115.85 2qbh s TYR 84 Ca 0.58 0.00 -0.02 0.00 0.02 0.00 0.00 57.07 57.65 2qbh s TYR 84 Cb -0.11 -0.19 0.33 0.00 -1.52 0.00 0.00 41.96 40.47 2qbh s TYR 84 CO 0.39 -0.04 2.00 1.04 0.02 0.00 0.00 175.55 178.95 2qbh n GLN 85 N 3.46 3.54 -1.69 -0.62 1.13 -1.26 -1.66 117.38 120.28 2qbh n GLN 85 Ca -0.18 -3.82 -0.44 0.00 -1.94 0.00 0.00 57.00 50.62 2qbh n GLN 85 Cb 0.56 -2.33 -0.04 0.00 0.11 0.00 0.00 30.24 28.54 2qbh n GLN 85 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2qbh n VAL 86 N -0.34 0.09 -1.69 5.09 0.31 -1.25 -4.50 118.33 116.05 2qbh n VAL 86 Ca 0.52 -0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 64.54 2qbh n VAL 86 Cb 0.25 -1.80 0.09 0.00 -0.91 0.00 0.00 33.84 31.47 2qbh n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qbh s PRO 87 N 1.48 1.96 -0.30 5.55 0.04 -1.26 0.34 135.00 142.82 2qbh s PRO 87 Ca 0.79 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 2qbh s PRO 87 Cb -0.59 -1.92 0.19 0.00 0.04 0.00 0.00 34.50 32.21 2qbh s PRO 87 CO 0.37 -1.65 1.40 0.54 0.04 0.00 0.00 177.00 177.70 2qbh s VAL 88 N -3.32 0.00 1.12 -0.36 0.11 0.28 -4.81 120.40 113.42 2qbh s VAL 88 Ca 0.61 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.53 2qbh s VAL 88 Cb -0.13 -1.00 0.25 0.00 -1.53 0.00 0.00 36.38 33.97 2qbh s VAL 88 CO 0.52 0.00 1.05 -1.61 -3.33 0.00 0.00 175.10 171.74 2qbh s GLU 89 N 0.07 -0.52 -0.15 1.54 8.01 -1.26 -0.32 118.70 126.07 2qbh s GLU 89 Ca 0.07 0.58 0.00 0.00 0.01 0.00 0.00 54.97 55.63 2qbh s GLU 89 Cb -0.05 -1.62 0.02 0.00 -4.31 0.00 0.00 34.13 28.17 2qbh s GLU 89 CO -0.15 -3.39 -0.13 0.14 0.01 0.00 0.00 175.26 171.74 2qbh s VAL 90 N -2.71 1.55 1.06 2.63 -7.23 0.14 -4.74 120.40 111.11 2qbh s VAL 90 Ca 0.67 -0.65 -0.19 0.00 -1.81 0.00 0.00 61.98 60.00 2qbh s VAL 90 Cb -0.21 -1.48 0.06 0.00 0.56 0.00 0.00 36.38 35.31 2qbh s VAL 90 CO 0.61 0.43 -0.26 0.54 -0.31 0.00 0.00 175.10 176.11 2qbh n ARG 91 N 4.77 -1.42 0.00 4.82 3.00 -1.26 -4.42 116.66 122.15 2qbh n ARG 91 Ca -0.17 -0.41 0.00 0.00 -0.01 0.00 0.00 57.85 57.27 2qbh n ARG 91 Cb 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.46 2qbh n ARG 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2qbh n PRO 92 N -1.02 0.00 -0.31 5.56 -0.04 -1.26 -1.28 135.00 136.66 2qbh n PRO 92 Ca 0.01 0.48 0.26 0.00 -0.04 0.00 0.00 63.50 64.22 2qbh n PRO 92 Cb 0.59 -1.40 0.49 0.00 -0.04 0.00 0.00 33.50 33.13 2qbh n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2qbh n VAL 93 N -1.85 -0.39 -0.00 0.52 0.24 -1.26 -0.24 118.33 115.34 2qbh n VAL 93 Ca 0.00 1.95 -0.13 0.00 -2.04 0.00 0.00 64.34 64.12 2qbh n VAL 93 Cb 0.00 -3.08 -0.10 0.00 -1.47 0.00 0.00 33.84 29.19 2qbh n VAL 93 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2qbh h ARG 94 N 0.00 -0.04 -0.16 7.34 1.12 -1.88 -3.02 114.38 117.74 2qbh h ARG 94 Ca 0.75 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 59.65 2qbh h ARG 94 Cb 1.90 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 31.81 2qbh h ARG 94 CO -0.76 0.45 -0.49 -0.09 -3.11 0.00 0.00 179.97 175.98 2qbh h ARG 95 N -0.56 -0.47 -0.57 0.20 2.43 0.77 -1.73 114.38 114.45 2qbh h ARG 95 Ca -0.00 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 2qbh h ARG 95 Cb 0.51 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.09 2qbh h ARG 95 CO 0.01 -0.32 0.08 -0.91 -1.51 0.00 0.00 179.97 177.32 2qbh h ASN 96 N -0.49 -0.08 0.11 -3.80 4.21 -1.55 -2.19 115.58 111.80 2qbh h ASN 96 Ca 0.03 0.12 0.01 0.00 1.21 0.00 0.00 56.30 57.67 2qbh h ASN 96 Cb 0.59 0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 37.93 2qbh h ASN 96 CO -0.41 -0.02 -0.45 0.00 -1.29 0.00 0.00 177.43 175.25 2qbh h ALA 97 N 1.47 -0.94 -0.39 -0.83 0.00 -1.26 -0.36 119.26 116.96 2qbh h ALA 97 Ca 0.30 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2qbh h ALA 97 Cb 0.44 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 2qbh h ALA 97 CO -0.41 -1.05 -0.31 -0.07 0.00 0.00 0.00 179.25 177.40 2qbh h LEU 98 N -0.65 -1.04 -0.38 0.00 3.38 -1.03 0.38 115.31 115.98 2qbh h LEU 98 Ca -0.01 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2qbh h LEU 98 Cb 0.65 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2qbh h LEU 98 CO -0.24 -0.31 -0.22 0.00 0.09 0.00 0.00 178.44 177.76 2qbh h ALA 99 N 0.79 0.04 -0.25 1.53 0.00 -1.09 0.93 119.26 121.21 2qbh h ALA 99 Ca 0.17 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.25 2qbh h ALA 99 Cb 0.53 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2qbh h ALA 99 CO -0.53 -0.59 0.02 0.52 0.00 0.00 0.00 179.25 178.67 2qbh h MET 100 N -0.15 0.10 -0.08 0.00 2.86 0.02 -1.22 114.93 116.45 2qbh h MET 100 Ca 0.19 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2qbh h MET 100 Cb 0.44 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2qbh h MET 100 CO -0.47 0.07 -0.06 -0.09 1.06 0.00 0.00 176.91 177.41 2qbh h ARG 101 N 0.10 -0.07 -0.52 1.72 2.43 -0.06 -2.19 114.38 115.80 2qbh h ARG 101 Ca 0.12 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2qbh h ARG 101 Cb 0.14 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2qbh h ARG 101 CO -0.18 -0.05 0.19 -1.49 -1.51 0.00 0.00 179.97 176.92 2qbh h TRP 102 N -0.07 0.32 -0.21 2.20 6.55 -0.55 -1.99 115.95 122.20 2qbh h TRP 102 Ca 0.06 0.03 0.05 0.00 0.95 0.00 0.00 58.89 59.98 2qbh h TRP 102 Cb 0.16 -0.07 -0.06 0.00 -0.86 0.00 0.00 29.16 28.33 2qbh h TRP 102 CO -0.17 0.10 -0.16 0.82 -1.05 0.00 0.00 178.44 177.97 2qbh h ILE 103 N 0.36 0.54 0.41 1.49 2.04 -0.80 -1.14 117.51 120.42 2qbh h ILE 103 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 2qbh h ILE 103 Cb 0.28 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2qbh h ILE 103 CO -0.26 0.00 -0.23 0.58 0.00 0.00 0.00 178.15 178.24 2qbh h VAL 104 N -0.17 0.00 -0.82 1.67 2.07 -0.97 -0.01 116.25 118.02 2qbh h VAL 104 Ca 0.12 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.83 2qbh h VAL 104 Cb 0.35 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.97 2qbh h VAL 104 CO -0.31 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 176.88 2qbh h GLU 105 N -0.59 0.05 -0.20 1.57 5.08 -1.34 0.34 114.58 119.49 2qbh h GLU 105 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2qbh h GLU 105 Cb 0.46 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2qbh h GLU 105 CO 0.07 0.03 0.08 0.00 -1.00 0.00 0.00 179.01 178.19 2qbh h ALA 106 N 1.80 0.26 -0.23 3.43 0.00 -1.16 -2.65 119.26 120.71 2qbh h ALA 106 Ca 0.44 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2qbh h ALA 106 Cb 0.76 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2qbh h ALA 106 CO -0.78 -0.14 0.07 0.00 0.00 0.00 0.00 179.25 178.40 2qbh h ALA 107 N 0.92 0.25 -0.51 0.00 0.00 0.11 -1.67 119.26 118.36 2qbh h ALA 107 Ca 0.07 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.15 2qbh h ALA 107 Cb 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qbh h ALA 107 CO -0.01 -0.35 0.37 0.00 0.00 0.00 0.00 179.25 179.27 2qbh h ARG 108 N 0.17 0.01 -0.47 0.00 3.08 -0.33 0.52 114.38 117.37 2qbh h ARG 108 Ca 0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qbh h ARG 108 Cb 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2qbh h ARG 108 CO -0.11 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.42 2qbh n LYS 109 N -4.39 2.19 0.00 0.04 4.76 -0.66 -4.23 118.16 115.87 2qbh n LYS 109 Ca 0.09 -1.83 0.10 0.00 -2.87 0.00 0.00 58.31 53.80 2qbh n LYS 109 Cb 0.59 -1.42 0.57 0.00 -1.84 0.00 0.00 35.03 32.93 2qbh n LYS 109 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qbh n ARG 110 N 1.00 0.49 -1.57 1.97 1.74 0.17 -4.87 116.66 115.60 2qbh n ARG 110 Ca 0.18 0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 57.23 2qbh n ARG 110 Cb 0.45 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2qbh n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbh n GLY 111 N 0.36 0.34 0.00 -0.13 0.00 -1.26 -4.93 105.19 99.57 2qbh n GLY 111 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qbh n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbh n ASP 112 N -0.34 0.00 0.00 1.61 9.92 -1.26 -5.01 116.55 121.46 2qbh n ASP 112 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2qbh n ASP 112 Cb 0.33 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 2qbh n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2qbh n LYS 113 N 0.00 0.00 -4.38 -1.24 4.76 -1.26 -4.99 118.16 111.05 2qbh n LYS 113 Ca 0.00 0.38 -0.26 0.00 -2.87 0.00 0.00 58.31 55.55 2qbh n LYS 113 Cb 0.00 -0.87 -0.12 0.00 -1.84 0.00 0.00 35.03 32.20 2qbh n LYS 113 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2qbh s SER 114 N -3.08 3.14 0.19 4.39 0.01 -1.26 -5.05 113.70 112.04 2qbh s SER 114 Ca 0.00 -0.80 -0.26 0.00 1.31 0.00 0.00 55.95 56.20 2qbh s SER 114 Cb 0.00 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.06 2qbh s SER 114 CO 0.00 0.10 1.55 -0.03 0.41 0.00 0.00 173.24 175.27 2qbh h MET 115 N 3.55 -0.02 -0.86 12.44 4.05 -1.96 0.77 114.93 132.91 2qbh h MET 115 Ca -0.47 0.00 0.19 0.00 -0.28 0.00 0.00 59.70 59.14 2qbh h MET 115 Cb 1.19 0.00 -0.16 0.00 -0.80 0.00 0.00 31.60 31.84 2qbh h MET 115 CO 0.44 -0.01 -0.14 0.00 0.23 0.00 0.00 176.91 177.43 2qbh h ALA 116 N 0.81 0.69 0.28 0.39 0.00 -1.97 0.37 119.26 119.84 2qbh h ALA 116 Ca 0.23 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2qbh h ALA 116 Cb 0.49 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qbh h ALA 116 CO -0.94 -0.43 -0.14 1.25 0.00 0.00 0.00 179.25 178.99 2qbh h LEU 117 N 0.02 -0.34 0.08 0.00 6.46 -1.26 0.80 115.31 121.08 2qbh h LEU 117 Ca 0.44 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.23 2qbh h LEU 117 Cb 0.73 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 2qbh h LEU 117 CO -0.85 -0.24 -0.21 0.03 -0.62 0.00 0.00 178.44 176.55 2qbh h ARG 118 N -0.39 -0.37 -0.33 1.25 3.08 -0.45 0.20 114.38 117.36 2qbh h ARG 118 Ca -0.04 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.11 2qbh h ARG 118 Cb 0.30 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 2qbh h ARG 118 CO 0.06 -0.25 -0.11 1.25 -1.07 0.00 0.00 179.97 179.85 2qbh h LEU 119 N -0.39 -0.40 0.08 3.04 5.85 -0.25 -0.31 115.31 122.94 2qbh h LEU 119 Ca 0.04 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2qbh h LEU 119 Cb 0.42 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2qbh h LEU 119 CO -0.14 -0.14 -0.16 0.00 -0.34 0.00 0.00 178.44 177.66 2qbh h ALA 120 N 1.26 -0.25 -0.82 1.25 0.00 -0.43 0.08 119.26 120.35 2qbh h ALA 120 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qbh h ALA 120 Cb 0.29 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2qbh h ALA 120 CO -0.37 -0.68 0.53 -0.91 0.00 0.00 0.00 179.25 177.82 2qbh h ASN 121 N -0.30 0.88 0.12 0.00 -0.26 -0.61 -2.07 115.58 113.33 2qbh h ASN 121 Ca 0.03 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.65 2qbh h ASN 121 Cb 0.33 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 2qbh h ASN 121 CO -0.09 0.61 -0.37 -0.08 -1.06 0.00 0.00 177.43 176.43 2qbh h GLU 122 N 1.03 0.35 0.00 0.81 4.57 -0.80 -2.28 114.58 118.26 2qbh h GLU 122 Ca 0.33 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2qbh h GLU 122 Cb -0.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2qbh h GLU 122 CO -0.11 0.68 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.18 2qbh h LEU 123 N 0.30 0.00 0.00 1.64 3.38 -0.30 -2.31 115.31 118.02 2qbh h LEU 123 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qbh h LEU 123 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2qbh h LEU 123 CO 0.06 0.14 -0.01 0.28 0.09 0.00 0.00 178.44 179.01 2qbh h SER 124 N 0.00 0.00 -0.90 -0.43 0.02 -0.97 -3.24 113.55 108.03 2qbh h SER 124 Ca -0.00 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.18 2qbh h SER 124 Cb 0.42 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.81 2qbh h SER 124 CO 0.02 0.33 0.06 0.44 -1.14 0.00 0.00 176.83 176.55 2qbh h ASP 125 N -0.66 -0.34 -1.01 3.07 5.19 -1.44 0.38 116.42 121.62 2qbh h ASP 125 Ca 0.00 0.24 0.03 0.00 -0.62 0.00 0.00 57.03 56.68 2qbh h ASP 125 Cb 0.01 0.40 -0.06 0.00 0.18 0.00 0.00 39.33 39.86 2qbh h ASP 125 CO 0.00 -0.26 0.66 0.00 -3.12 0.00 0.00 179.24 176.52 2qbh h ALA 126 N 1.86 1.32 0.00 3.45 0.00 -1.57 -1.06 119.26 123.26 2qbh h ALA 126 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2qbh h ALA 126 Cb 1.06 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2qbh h ALA 126 CO -0.79 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.05 2qbh n ALA 127 N -2.38 1.52 -1.89 0.00 0.00 0.13 -2.06 120.51 115.84 2qbh n ALA 127 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2qbh n ALA 127 Cb 0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2qbh n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbh n GLU 128 N -0.51 0.00 -3.04 0.00 0.00 -0.85 -4.76 120.64 111.48 2qbh n GLU 128 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 57.16 56.42 2qbh n GLU 128 Cb 0.00 0.39 0.01 0.00 0.00 0.00 0.00 31.44 31.84 2qbh n GLU 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2qbh n ASN 129 N 0.00 -7.47 0.00 -1.84 4.13 -0.87 -4.96 115.26 104.24 2qbh n ASN 129 Ca -0.18 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.28 2qbh n ASN 129 Cb 0.57 -4.76 0.00 0.00 -1.54 0.00 0.00 39.78 34.06 2qbh n ASN 129 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2qbh n LYS 130 N -0.84 0.00 -1.52 3.52 0.00 -0.46 -4.98 118.16 113.87 2qbh n LYS 130 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.05 2qbh n LYS 130 Cb 0.51 -0.27 0.19 0.00 0.00 0.00 0.00 35.03 35.46 2qbh n LYS 130 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2qbh s GLY 131 N -1.96 1.66 0.56 3.14 0.00 -1.21 -4.89 107.32 104.61 2qbh s GLY 131 Ca 0.00 -0.95 0.34 0.00 0.00 0.00 0.00 44.72 44.11 2qbh s GLY 131 CO 0.00 -0.19 2.03 -0.91 0.00 0.00 0.00 173.10 174.04 2qbh h THR 132 N -1.96 0.06 0.42 0.90 1.35 -1.94 -2.81 112.91 108.92 2qbh h THR 132 Ca -0.46 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 2qbh h THR 132 Cb 1.28 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2qbh h THR 132 CO 0.42 0.02 -0.20 0.00 -0.25 0.00 0.00 175.52 175.51 2qbh h ALA 133 N 1.98 -0.78 -0.86 6.62 0.00 -1.92 -2.20 119.26 122.10 2qbh h ALA 133 Ca -0.00 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.97 2qbh h ALA 133 Cb 0.45 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2qbh h ALA 133 CO 0.00 -0.74 0.57 -0.39 0.00 0.00 0.00 179.25 178.69 2qbh h VAL 134 N -0.80 0.74 0.05 0.00 -1.51 -1.85 -0.85 116.25 112.02 2qbh h VAL 134 Ca -0.06 -0.16 0.01 0.00 -1.23 0.00 0.00 66.70 65.27 2qbh h VAL 134 Cb 0.43 0.23 -0.02 0.00 -2.13 0.00 0.00 31.29 29.80 2qbh h VAL 134 CO 0.09 0.08 -0.12 0.50 -1.23 0.00 0.00 177.57 176.90 2qbh h LYS 135 N 0.46 -0.22 -0.32 5.19 3.11 -1.45 -2.48 116.57 120.86 2qbh h LYS 135 Ca 0.44 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 58.35 2qbh h LYS 135 Cb 1.00 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.23 2qbh h LYS 135 CO -0.17 -0.15 0.00 -0.22 -2.81 0.00 0.00 179.45 176.10 2qbh h LYS 136 N -0.23 0.09 -0.42 1.90 1.63 -0.51 -2.14 116.57 116.89 2qbh h LYS 136 Ca 0.03 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.90 2qbh h LYS 136 Cb 0.26 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.78 2qbh h LYS 136 CO -0.09 0.06 -0.37 -0.09 -3.45 0.00 0.00 179.45 175.51 2qbh h ARG 137 N 0.09 -0.26 -0.58 1.90 1.12 -1.08 0.12 114.38 115.69 2qbh h ARG 137 Ca 0.15 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.04 2qbh h ARG 137 Cb 0.20 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.19 2qbh h ARG 137 CO -0.25 -0.17 0.36 0.93 -3.11 0.00 0.00 179.97 177.73 2qbh h GLU 138 N -0.27 0.78 -0.55 0.20 4.39 -1.19 -2.00 114.58 115.94 2qbh h GLU 138 Ca 0.17 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2qbh h GLU 138 Cb 0.56 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2qbh h GLU 138 CO -0.57 0.54 0.32 -0.44 -1.16 0.00 0.00 179.01 177.69 2qbh h ASP 139 N 0.80 0.67 0.74 1.42 3.32 -0.21 0.88 116.42 124.05 2qbh h ASP 139 Ca 0.21 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2qbh h ASP 139 Cb -0.05 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.34 2qbh h ASP 139 CO -0.04 0.54 -0.36 0.58 -1.72 0.00 0.00 179.24 178.24 2qbh h VAL 140 N 0.73 0.27 -0.06 -1.35 2.07 -0.22 -1.92 116.25 115.77 2qbh h VAL 140 Ca 0.19 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 2qbh h VAL 140 Cb 0.01 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2qbh h VAL 140 CO -0.03 0.00 0.06 0.45 0.02 0.00 0.00 177.57 178.06 2qbh h HIS 141 N -1.00 0.00 -0.34 1.57 3.86 -1.32 0.86 115.15 118.78 2qbh h HIS 141 Ca -0.10 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 2qbh h HIS 141 Cb 0.77 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 2qbh h HIS 141 CO -0.02 0.00 -0.20 -0.09 0.86 0.00 0.00 177.93 178.48 2qbh h ARG 142 N 0.00 0.63 0.46 2.45 2.43 -0.17 -2.81 114.38 117.37 2qbh h ARG 142 Ca 0.03 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2qbh h ARG 142 Cb 0.14 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2qbh h ARG 142 CO -0.00 0.79 -0.22 1.98 -1.51 0.00 0.00 179.97 181.01 2qbh h MET 143 N 0.56 -0.59 -7.14 0.20 4.05 -0.10 -3.32 114.93 108.59 2qbh h MET 143 Ca 0.09 0.04 -0.41 0.00 -0.28 0.00 0.00 59.70 59.13 2qbh h MET 143 Cb 0.66 0.13 0.21 0.00 -0.80 0.00 0.00 31.60 31.80 2qbh h MET 143 CO 0.05 -0.30 -0.02 0.00 0.23 0.00 0.00 176.91 176.86 2qbh s ALA 144 N -5.30 -0.46 0.00 0.39 0.00 -0.91 -2.60 121.76 112.88 2qbh s ALA 144 Ca -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2qbh s ALA 144 Cb 0.03 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2qbh s ALA 144 CO 0.56 -4.07 0.00 -1.91 0.00 0.00 0.00 175.76 170.34 2qbh n GLU 145 N -5.14 0.00 0.00 0.00 4.07 -1.26 -3.93 120.64 114.38 2qbh n GLU 145 Ca 0.07 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.24 2qbh n GLU 145 Cb 0.57 0.00 0.40 0.00 -0.06 0.00 0.00 31.44 32.35 2qbh n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbh n ALA 146 N 0.00 1.91 -0.47 4.31 0.00 -1.14 -0.03 120.51 125.09 2qbh n ALA 146 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2qbh n ALA 146 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2qbh n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbh n ASN 147 N -1.20 0.71 0.04 0.00 3.02 -1.07 -4.74 115.26 112.01 2qbh n ASN 147 Ca 0.08 -1.18 0.02 0.00 -0.03 0.00 0.00 54.58 53.47 2qbh n ASN 147 Cb 0.10 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.38 2qbh n ASN 147 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2qbh n LYS 148 N -0.09 0.03 -0.00 3.52 4.81 0.96 -1.08 118.16 126.30 2qbh n LYS 148 Ca 0.00 0.44 0.12 0.00 -0.87 0.00 0.00 58.31 58.01 2qbh n LYS 148 Cb 0.20 -1.70 0.55 0.00 0.02 0.00 0.00 35.03 34.11 2qbh n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbh h ALA 149 N 1.59 2.07 0.00 3.14 0.00 -1.85 0.48 119.26 124.69 2qbh h ALA 149 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qbh h ALA 149 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qbh h ALA 149 CO 0.00 -0.18 -0.73 0.74 0.00 0.00 0.00 179.25 179.09 2qbh h PHE 150 N 0.28 0.00 0.00 0.00 -1.00 -1.50 -3.53 116.94 111.18 2qbh h PHE 150 Ca 0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2qbh h PHE 150 Cb 0.48 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2qbh h PHE 150 CO -0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70