#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n LYS 2 N 0.00 1.15 -2.04 0.00 5.02 -1.26 -5.07 118.16 115.96 2qba n LYS 2 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2qba n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2qba n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2qba s LYS 3 N 1.19 2.75 -0.09 1.97 2.20 -1.26 -4.93 119.74 121.57 2qba s LYS 3 Ca 0.00 0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 56.05 2qba s LYS 3 Cb 0.00 -4.35 -0.06 0.00 -1.51 0.00 0.00 37.83 31.91 2qba s LYS 3 CO 0.00 -2.58 1.80 0.54 -0.36 0.00 0.00 175.35 174.74 2qba s VAL 4 N 8.69 3.39 0.43 4.02 0.11 -1.26 -4.99 120.40 130.79 2qba s VAL 4 Ca 0.69 0.46 0.07 0.00 -2.93 0.00 0.00 61.98 60.27 2qba s VAL 4 Cb -0.14 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 2qba s VAL 4 CO 0.23 -0.10 0.24 -1.58 -3.33 0.00 0.00 175.10 170.56 2qba s GLN 5 N 4.58 2.30 -0.41 1.54 0.74 -1.26 -5.04 119.66 122.11 2qba s GLN 5 Ca 0.80 -1.81 -0.27 0.00 0.05 0.00 0.00 55.36 54.13 2qba s GLN 5 Cb -0.34 -2.07 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 2qba s GLN 5 CO 0.33 -0.18 2.06 0.00 -0.55 0.00 0.00 175.29 176.95 2qba s ALA 6 N -2.59 2.38 0.17 1.58 0.00 -1.26 -4.91 121.76 117.11 2qba s ALA 6 Ca 0.41 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 2qba s ALA 6 Cb 0.02 -4.17 0.01 0.00 0.00 0.00 0.00 23.12 18.97 2qba s ALA 6 CO 0.23 -3.40 0.36 1.52 0.00 0.00 0.00 175.76 174.47 2qba s TYR 7 N 9.01 0.19 0.00 0.00 -0.85 -1.26 -3.02 117.35 121.42 2qba s TYR 7 Ca 0.86 -0.55 0.08 0.00 -0.52 0.00 0.00 57.07 56.94 2qba s TYR 7 Cb -0.21 0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.21 2qba s TYR 7 CO 0.29 -0.77 -0.24 0.14 -1.52 0.00 0.00 175.55 173.45 2qba s VAL 8 N -3.92 1.89 -0.01 -3.49 -7.23 0.60 -4.99 120.40 103.24 2qba s VAL 8 Ca 0.13 -1.11 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 2qba s VAL 8 Cb 0.02 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2qba s VAL 8 CO -0.02 0.45 -0.18 -1.59 -0.31 0.00 0.00 175.10 173.45 2qba s LYS 9 N -0.77 2.26 -0.09 4.82 -2.85 -1.26 -0.45 119.74 121.40 2qba s LYS 9 Ca 0.09 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 2qba s LYS 9 Cb -0.09 -2.24 0.11 0.00 -2.06 0.00 0.00 37.83 33.55 2qba s LYS 9 CO 0.00 0.58 0.90 -0.48 0.10 0.00 0.00 175.35 176.45 2qba s LEU 10 N -0.96 -0.43 -0.37 2.77 0.05 -0.90 -5.02 118.68 113.82 2qba s LEU 10 Ca 0.12 0.36 -0.09 0.00 0.05 0.00 0.00 54.13 54.58 2qba s LEU 10 Cb -0.10 2.05 0.05 0.00 -2.05 0.00 0.00 46.19 46.14 2qba s LEU 10 CO 0.02 -0.48 0.18 0.00 -0.55 0.00 0.00 176.35 175.53 2qba s GLN 11 N -1.66 2.66 0.12 1.48 -2.07 -1.26 -0.41 119.66 118.52 2qba s GLN 11 Ca -0.02 -1.25 0.06 0.00 -1.82 0.00 0.00 55.36 52.34 2qba s GLN 11 Cb -0.00 -3.64 -0.04 0.00 -1.09 0.00 0.00 33.01 28.23 2qba s GLN 11 CO 0.00 -0.77 -0.04 0.14 -1.32 0.00 0.00 175.29 173.31 2qba s VAL 12 N 1.45 3.68 0.99 3.63 -7.23 -1.14 -4.88 120.40 116.89 2qba s VAL 12 Ca 0.01 -1.22 -0.15 0.00 -1.81 0.00 0.00 61.98 58.81 2qba s VAL 12 Cb -0.20 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 33.97 2qba s VAL 12 CO 0.04 0.05 0.05 0.00 -0.31 0.00 0.00 175.10 174.93 2qba n ALA 13 N 0.42 -3.49 -1.00 1.32 0.00 -1.26 -2.16 120.51 114.34 2qba n ALA 13 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2qba n ALA 13 Cb 0.53 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2qba n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 14 N -3.53 0.00 -3.20 0.00 0.00 -1.25 -4.25 120.51 108.28 2qba n ALA 14 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2qba n ALA 14 Cb 0.56 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qba n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 15 N -0.37 4.72 0.00 0.00 0.00 -1.26 -4.55 105.19 103.73 2qba n GLY 15 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 2qba n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2qba n MET 16 N 1.86 0.00 -3.87 1.61 0.00 -1.26 -5.06 117.12 110.40 2qba n MET 16 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.93 2qba n MET 16 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.59 2qba n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qba s ALA 17 N -0.35 -1.75 0.00 -5.12 0.00 -1.26 -4.31 121.76 108.97 2qba s ALA 17 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2qba s ALA 17 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2qba s ALA 17 CO 0.00 -1.07 0.00 -1.71 0.00 0.00 0.00 175.76 172.98 2qba n ASN 18 N -1.10 0.00 -4.77 0.00 5.15 -1.26 -4.98 115.26 108.29 2qba n ASN 18 Ca -0.03 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 2qba n ASN 18 Cb 0.60 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.83 2qba n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2qba s PRO 19 N -0.99 4.22 0.09 1.20 0.04 -1.26 -4.56 135.00 133.74 2qba s PRO 19 Ca 0.00 2.39 -0.34 0.00 0.04 0.00 0.00 61.00 63.09 2qba s PRO 19 Cb 0.00 -3.01 -0.16 0.00 0.04 0.00 0.00 34.50 31.37 2qba s PRO 19 CO 0.00 -0.37 1.59 1.03 0.04 0.00 0.00 177.00 179.29 2qba h SER 20 N 3.17 -1.17 0.11 6.66 0.87 -1.98 -1.31 113.55 119.91 2qba h SER 20 Ca -0.50 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.17 2qba h SER 20 Cb 1.23 0.38 -0.05 0.00 -0.44 0.00 0.00 62.40 63.53 2qba h SER 20 CO 0.65 -0.61 -0.40 -0.65 -0.53 0.00 0.00 176.83 175.29 2qba h PRO 21 N -0.93 -0.60 0.54 2.24 0.11 -1.99 -3.23 132.00 128.14 2qba h PRO 21 Ca -0.05 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2qba h PRO 21 Cb 0.80 0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2qba h PRO 21 CO -0.03 -0.40 -0.33 -1.35 -0.21 0.00 0.00 178.00 175.68 2qba h PRO 22 N -0.63 -0.78 0.00 1.05 0.11 -1.96 -3.46 132.00 126.33 2qba h PRO 22 Ca 0.03 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2qba h PRO 22 Cb 0.66 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2qba h PRO 22 CO -0.24 -0.52 0.00 1.33 -0.21 0.00 0.00 178.00 178.36 2qba n VAL 23 N -4.42 0.00 0.00 3.15 0.24 -0.50 -4.77 118.33 112.03 2qba n VAL 23 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2qba n VAL 23 Cb 0.34 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 2qba n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qba n GLY 24 N 5.00 1.56 0.54 7.63 0.00 -1.20 -1.51 105.19 117.21 2qba n GLY 24 Ca 0.00 0.55 0.37 0.00 0.00 0.00 0.00 46.02 46.95 2qba n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qba h PRO 25 N 0.00 0.08 -0.00 1.61 0.11 -1.88 0.87 132.00 132.78 2qba h PRO 25 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.11 2qba h PRO 25 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2qba h PRO 25 CO 0.00 0.05 -0.14 0.00 -0.21 0.00 0.00 178.00 177.70 2qba h ALA 26 N 1.39 -0.61 0.00 -0.75 0.00 -1.52 -2.82 119.26 114.96 2qba h ALA 26 Ca 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.57 2qba h ALA 26 Cb 2.49 0.63 0.00 0.00 0.00 0.00 0.00 17.79 20.91 2qba h ALA 26 CO -0.12 -0.65 -0.75 1.47 0.00 0.00 0.00 179.25 179.20 2qba n LEU 27 N -3.27 0.62 0.20 0.00 -0.00 -0.97 -4.09 117.00 109.50 2qba n LEU 27 Ca -0.02 0.03 0.07 0.00 -0.00 0.00 0.00 56.01 56.09 2qba n LEU 27 Cb 0.10 -0.16 0.58 0.00 -0.00 0.00 0.00 43.42 43.94 2qba n LEU 27 CO 0.03 0.06 1.07 1.23 -0.00 0.00 0.00 177.39 179.78 2qba h GLY 28 N 4.71 0.12 1.21 1.47 0.00 0.90 -1.81 103.07 109.67 2qba h GLY 28 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2qba h GLY 28 CO 0.00 0.05 0.29 1.46 0.00 0.00 0.00 176.54 178.34 2qba h GLN 29 N 0.11 1.01 0.00 4.80 1.08 -1.65 -1.33 115.11 119.13 2qba h GLN 29 Ca 0.03 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2qba h GLN 29 Cb 0.02 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 2qba h GLN 29 CO -0.00 0.81 0.00 1.96 -0.95 0.00 0.00 178.83 180.65 2qba h GLN 30 N 1.00 0.00 0.00 1.46 1.08 -1.59 -3.45 115.11 113.61 2qba h GLN 30 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2qba h GLN 30 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2qba h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qba n GLY 31 N -0.50 1.44 3.80 3.46 0.00 -0.50 -4.98 105.19 107.91 2qba n GLY 31 Ca -0.01 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2qba n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qba s VAL 32 N -2.00 3.88 -1.04 1.61 1.01 -1.17 -4.79 120.40 117.90 2qba s VAL 32 Ca 0.00 1.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 2qba s VAL 32 Cb 0.00 -3.45 0.18 0.00 0.00 0.00 0.00 36.38 33.11 2qba s VAL 32 CO 0.00 -0.37 1.18 0.20 0.00 0.00 0.00 175.10 176.10 2qba s ASN 33 N -2.36 6.91 0.20 3.32 0.01 -1.26 -4.72 114.94 117.04 2qba s ASN 33 Ca 0.65 -2.71 -0.17 0.00 -0.71 0.00 0.00 52.86 49.92 2qba s ASN 33 Cb -0.15 -2.34 0.19 0.00 0.41 0.00 0.00 41.25 39.35 2qba s ASN 33 CO 0.27 -0.76 1.60 0.40 -1.51 0.00 0.00 177.10 177.09 2qba h ILE 34 N 4.94 0.23 -0.61 0.60 1.08 -1.94 -0.95 117.51 120.86 2qba h ILE 34 Ca 0.21 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.79 2qba h ILE 34 Cb 0.95 0.23 -0.09 0.00 -3.07 0.00 0.00 36.82 34.84 2qba h ILE 34 CO 1.09 0.00 0.13 -0.03 -0.69 0.00 0.00 178.15 178.65 2qba h MET 35 N -0.09 0.25 -0.17 2.37 4.05 -1.97 0.46 114.93 119.83 2qba h MET 35 Ca 0.28 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.65 2qba h MET 35 Cb 0.53 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2qba h MET 35 CO -0.69 0.17 0.00 1.49 0.23 0.00 0.00 176.91 178.10 2qba h GLU 36 N 0.26 0.30 0.10 0.39 4.81 -1.64 -3.11 114.58 115.69 2qba h GLU 36 Ca 0.32 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2qba h GLU 36 Cb 0.48 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2qba h GLU 36 CO -0.41 0.52 -0.05 0.35 -0.73 0.00 0.00 179.01 178.69 2qba h PHE 37 N 0.05 -0.12 -0.63 0.92 3.57 -0.72 0.13 116.94 120.13 2qba h PHE 37 Ca 0.05 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 2qba h PHE 37 Cb 0.38 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.06 2qba h PHE 37 CO 0.03 0.03 0.09 0.00 -2.23 0.00 0.00 178.31 176.24 2qba h LYS 39 N 0.20 0.34 -0.23 0.00 3.64 -1.48 -2.83 116.57 116.22 2qba h LYS 39 Ca 0.34 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2qba h LYS 39 Cb 0.54 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2qba h LYS 39 CO -0.47 1.02 -0.29 0.00 -2.27 0.00 0.00 179.45 177.44 2qba h ALA 40 N 0.87 0.35 0.42 5.00 0.00 0.59 -2.73 119.26 123.76 2qba h ALA 40 Ca -0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2qba h ALA 40 Cb 1.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2qba h ALA 40 CO 0.14 0.36 -0.20 0.35 0.00 0.00 0.00 179.25 179.91 2qba h PHE 41 N 0.31 -0.52 -0.90 0.00 3.57 0.12 -3.01 116.94 116.51 2qba h PHE 41 Ca 0.03 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.78 2qba h PHE 41 Cb 0.86 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 2qba h PHE 41 CO 0.08 -0.33 0.73 -0.91 -2.23 0.00 0.00 178.31 175.65 2qba h ASN 42 N -0.64 0.00 0.40 0.41 2.35 -1.63 -0.90 115.58 115.57 2qba h ASN 42 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2qba h ASN 42 Cb 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 2qba h ASN 42 CO 0.10 0.00 -0.46 0.00 -1.65 0.00 0.00 177.43 175.41 2qba h ALA 43 N 1.40 -1.09 0.00 -0.83 0.00 -1.34 -2.41 119.26 114.99 2qba h ALA 43 Ca 0.43 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2qba h ALA 43 Cb 1.88 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 20.37 2qba h ALA 43 CO -0.00 -1.13 -0.51 -0.22 0.00 0.00 0.00 179.25 177.39 2qba h LYS 44 N -0.87 0.00 -0.39 0.00 3.64 -1.44 -3.32 116.57 114.19 2qba h LYS 44 Ca -0.05 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2qba h LYS 44 Cb 0.77 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2qba h LYS 44 CO -0.09 0.27 0.02 1.15 -2.27 0.00 0.00 179.45 178.54 2qba h THR 45 N 0.00 1.21 -0.53 1.00 2.02 -1.11 -1.50 112.91 114.00 2qba h THR 45 Ca -0.02 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.35 2qba h THR 45 Cb 1.25 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2qba h THR 45 CO 0.04 0.28 0.33 0.44 0.37 0.00 0.00 175.52 176.98 2qba h ASP 46 N 0.58 0.62 -0.05 4.18 3.32 -1.52 0.38 116.42 123.92 2qba h ASP 46 Ca 0.12 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2qba h ASP 46 Cb 0.33 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2qba h ASP 46 CO 0.01 0.48 -0.00 -1.28 -1.72 0.00 0.00 179.24 176.73 2qba h SER 47 N 0.71 0.10 0.37 6.45 0.87 -1.66 -3.27 113.55 117.11 2qba h SER 47 Ca 0.19 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2qba h SER 47 Cb -0.04 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2qba h SER 47 CO -0.04 0.41 -0.46 0.40 -0.53 0.00 0.00 176.83 176.61 2qba h ILE 48 N -0.21 0.10 0.00 2.23 2.04 -1.09 -3.46 117.51 117.11 2qba h ILE 48 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2qba h ILE 48 Cb 0.36 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2qba h ILE 48 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.31 2qba n GLU 49 N -5.52 0.00 -4.08 2.37 0.28 0.11 -5.10 120.64 108.70 2qba n GLU 49 Ca -0.10 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.61 2qba n GLU 49 Cb 0.42 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.23 2qba n GLU 49 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2qba s LYS 50 N -0.15 2.83 0.00 3.44 1.02 -1.26 -4.51 119.74 121.12 2qba s LYS 50 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.19 2qba s LYS 50 Cb 0.00 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 2qba s LYS 50 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 2qba n GLY 51 N 0.14 1.56 3.21 -3.33 0.00 -1.26 -5.02 105.19 100.49 2qba n GLY 51 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2qba n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qba s LEU 52 N 0.00 2.68 -0.06 0.99 1.02 -1.26 -4.89 118.68 117.15 2qba s LEU 52 Ca 0.00 -0.62 -0.32 0.00 0.02 0.00 0.00 54.13 53.21 2qba s LEU 52 Cb 0.00 -1.62 -0.10 0.00 0.02 0.00 0.00 46.19 44.49 2qba s LEU 52 CO 0.00 -0.04 1.98 -2.65 0.02 0.00 0.00 176.35 175.66 2qba n PRO 53 N 4.69 2.41 -4.24 1.29 -0.02 -1.26 -3.75 135.00 134.12 2qba n PRO 53 Ca -0.19 0.86 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 2qba n PRO 53 Cb 0.49 -2.87 -0.14 0.00 -0.02 0.00 0.00 33.50 30.96 2qba n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qba s ILE 54 N 4.91 3.07 -0.02 4.25 1.01 -0.92 -4.41 121.20 129.10 2qba s ILE 54 Ca 0.93 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 2qba s ILE 54 Cb -0.54 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2qba s ILE 54 CO 0.46 0.48 1.17 -2.16 0.00 0.00 0.00 174.94 174.88 2qba s PRO 55 N 1.05 4.40 0.09 2.79 0.04 -1.26 -2.90 135.00 139.20 2qba s PRO 55 Ca -0.00 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.80 2qba s PRO 55 Cb -0.15 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 2qba s PRO 55 CO -0.02 -0.35 -0.25 0.54 0.04 0.00 0.00 177.00 176.97 2qba s VAL 56 N 1.74 2.04 -0.44 -0.36 0.11 0.45 -3.55 120.40 120.39 2qba s VAL 56 Ca 0.56 -1.52 -0.08 0.00 -2.93 0.00 0.00 61.98 58.01 2qba s VAL 56 Cb -0.25 -1.79 0.10 0.00 -1.53 0.00 0.00 36.38 32.91 2qba s VAL 56 CO 0.25 0.17 0.29 -0.69 -3.33 0.00 0.00 175.10 171.78 2qba s VAL 57 N -0.96 4.03 -0.16 2.04 1.01 -1.20 -2.12 120.40 123.04 2qba s VAL 57 Ca 0.11 -1.71 -0.27 0.00 0.00 0.00 0.00 61.98 60.10 2qba s VAL 57 Cb -0.10 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2qba s VAL 57 CO 0.04 -0.67 0.93 -0.63 0.00 0.00 0.00 175.10 174.77 2qba s ILE 58 N 1.34 4.81 -0.36 2.22 1.09 0.41 -3.23 121.20 127.48 2qba s ILE 58 Ca 0.05 1.84 -0.05 0.00 -1.10 0.00 0.00 60.65 61.39 2qba s ILE 58 Cb -0.25 -4.23 0.06 0.00 -1.06 0.00 0.00 42.46 36.99 2qba s ILE 58 CO -0.01 -0.02 0.13 -0.89 -0.10 0.00 0.00 174.94 174.05 2qba s THR 59 N 2.34 3.59 0.17 2.92 2.01 0.16 -0.29 115.64 126.54 2qba s THR 59 Ca 0.43 -1.41 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 2qba s THR 59 Cb -0.17 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 2qba s THR 59 CO 0.13 -0.32 0.58 -0.69 -0.69 0.00 0.00 174.62 173.63 2qba s VAL 60 N 1.32 4.83 0.56 3.82 1.01 -1.17 -1.21 120.40 129.57 2qba s VAL 60 Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 61.98 62.88 2qba s VAL 60 Cb -0.21 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.50 2qba s VAL 60 CO 0.00 0.18 0.48 -0.31 0.00 0.00 0.00 175.10 175.46 2qba s TYR 61 N -1.54 1.47 0.44 5.22 2.02 -0.03 -4.68 117.35 120.26 2qba s TYR 61 Ca 0.40 -0.86 0.16 0.00 -0.37 0.00 0.00 57.07 56.41 2qba s TYR 61 Cb -0.14 -1.94 1.06 0.00 -0.40 0.00 0.00 41.96 40.53 2qba s TYR 61 CO 0.19 -0.65 1.99 0.00 -1.57 0.00 0.00 175.55 175.52 2qba h ALA 62 N 0.61 1.61 -0.00 3.71 0.00 -1.98 0.33 119.26 123.54 2qba h ALA 62 Ca -0.35 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qba h ALA 62 Cb 1.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2qba h ALA 62 CO 0.54 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.77 2qba n ASP 63 N -4.20 1.67 -0.32 0.00 8.00 -1.26 -4.78 116.55 115.66 2qba n ASP 63 Ca -0.02 -2.00 -0.02 0.00 0.71 0.00 0.00 54.79 53.46 2qba n ASP 63 Cb 0.25 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 2qba n ASP 63 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2qba n ARG 64 N 0.17 -1.76 -1.14 -1.24 -4.01 0.11 -4.88 116.66 103.90 2qba n ARG 64 Ca 0.00 0.20 -0.14 0.00 -1.04 0.00 0.00 57.85 56.86 2qba n ARG 64 Cb 0.34 -3.55 0.10 0.00 -3.04 0.00 0.00 32.46 26.31 2qba n ARG 64 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2qba n SER 65 N 1.45 0.21 -3.63 2.89 2.88 -1.26 -4.54 113.62 111.62 2qba n SER 65 Ca -0.02 -1.33 -0.05 0.00 -1.33 0.00 0.00 58.87 56.14 2qba n SER 65 Cb 0.16 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 2qba n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2qba s PHE 66 N -2.25 -0.22 0.20 0.66 -0.12 -1.26 -0.85 117.98 114.14 2qba s PHE 66 Ca 0.38 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 2qba s PHE 66 Cb -0.01 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 2qba s PHE 66 CO 0.26 -0.65 0.12 -0.08 -0.05 0.00 0.00 175.22 174.82 2qba s THR 67 N -3.13 0.05 -0.25 -4.49 -1.32 -0.35 -4.95 115.64 101.20 2qba s THR 67 Ca 0.09 -1.99 -0.25 0.00 -1.21 0.00 0.00 61.69 58.33 2qba s THR 67 Cb -0.01 -2.46 0.07 0.00 -1.51 0.00 0.00 72.50 68.60 2qba s THR 67 CO -0.03 -0.05 0.72 0.72 -2.21 0.00 0.00 174.62 173.76 2qba s PHE 68 N -4.12 -0.78 -0.21 9.09 -0.71 -1.26 0.39 117.98 120.39 2qba s PHE 68 Ca 0.37 1.86 -0.05 0.00 -1.04 0.00 0.00 56.93 58.07 2qba s PHE 68 Cb 0.07 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2qba s PHE 68 CO 0.11 -0.40 -0.00 0.08 -1.34 0.00 0.00 175.22 173.67 2qba s VAL 69 N 0.25 3.87 -0.41 -2.49 1.01 -1.20 -4.95 120.40 116.48 2qba s VAL 69 Ca -0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 2qba s VAL 69 Cb -0.05 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.59 2qba s VAL 69 CO 0.02 0.42 0.69 -0.89 0.00 0.00 0.00 175.10 175.33 2qba s THR 70 N 1.15 4.79 0.00 3.92 2.01 -1.26 -3.24 115.64 123.02 2qba s THR 70 Ca 0.03 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2qba s THR 70 Cb -0.14 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.16 2qba s THR 70 CO 0.01 -0.54 0.00 0.29 -0.69 0.00 0.00 174.62 173.69 2qba n LYS 71 N 6.33 1.32 -2.68 4.92 5.02 -1.23 -5.09 118.16 126.75 2qba n LYS 71 Ca -0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2qba n LYS 71 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2qba n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qba s THR 72 N 0.90 4.77 0.63 -0.18 -4.23 -1.26 -4.70 115.64 111.58 2qba s THR 72 Ca 0.00 0.63 -0.18 0.00 -1.18 0.00 0.00 61.69 60.97 2qba s THR 72 Cb 0.00 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 2qba s THR 72 CO 0.00 -0.65 1.22 -2.16 -0.54 0.00 0.00 174.62 172.49 2qba s PRO 73 N -4.14 2.71 0.76 3.99 0.04 -1.26 -4.51 135.00 132.59 2qba s PRO 73 Ca 0.52 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 2qba s PRO 73 Cb -0.10 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2qba s PRO 73 CO 0.36 -1.41 0.25 -2.30 0.04 0.00 0.00 177.00 173.93 2qba n PRO 74 N -1.92 0.15 0.15 0.56 -0.02 -1.26 -4.80 135.00 127.86 2qba n PRO 74 Ca 0.14 0.08 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 2qba n PRO 74 Cb 0.50 -1.61 0.22 0.00 -0.02 0.00 0.00 33.50 32.58 2qba n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qba h ALA 75 N -0.56 1.00 -0.28 3.55 0.00 -1.98 -2.40 119.26 118.60 2qba h ALA 75 Ca -0.44 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 53.89 2qba h ALA 75 Cb 1.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2qba h ALA 75 CO 0.39 0.68 -0.15 0.00 0.00 0.00 0.00 179.25 180.17 2qba h ALA 76 N 1.46 0.39 -0.36 0.00 0.00 -1.92 -2.03 119.26 116.80 2qba h ALA 76 Ca -0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2qba h ALA 76 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2qba h ALA 76 CO 0.07 0.29 -0.31 -0.39 0.00 0.00 0.00 179.25 178.91 2qba h VAL 77 N 0.33 1.28 -0.10 0.00 -1.51 -1.90 -1.69 116.25 112.66 2qba h VAL 77 Ca 0.06 -1.46 -0.09 0.00 -1.23 0.00 0.00 66.70 63.99 2qba h VAL 77 Cb 0.67 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 2qba h VAL 77 CO 0.04 0.48 -0.32 -0.07 -1.23 0.00 0.00 177.57 176.47 2qba h LEU 78 N 0.67 0.20 -0.29 4.19 3.38 -1.41 -2.28 115.31 119.77 2qba h LEU 78 Ca 0.07 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 2qba h LEU 78 Cb 0.84 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2qba h LEU 78 CO 0.07 0.52 -0.87 -0.07 0.09 0.00 0.00 178.44 178.19 2qba h LEU 79 N 0.18 0.26 -0.36 1.67 3.38 -1.17 -1.73 115.31 117.53 2qba h LEU 79 Ca 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2qba h LEU 79 Cb 0.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2qba h LEU 79 CO 0.05 1.01 0.09 0.11 0.09 0.00 0.00 178.44 179.78 2qba h LYS 80 N 0.11 0.58 -0.31 1.13 1.57 -0.92 0.29 116.57 119.01 2qba h LYS 80 Ca -0.04 -0.14 -0.17 0.00 -1.87 0.00 0.00 60.65 58.43 2qba h LYS 80 Cb 1.49 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 2qba h LYS 80 CO 0.13 0.62 -0.47 1.57 -0.57 0.00 0.00 179.45 180.73 2qba h LYS 81 N 0.43 0.87 -0.59 3.15 2.10 -1.46 0.12 116.57 121.19 2qba h LYS 81 Ca 0.11 -0.52 -0.04 0.00 -2.00 0.00 0.00 60.65 58.21 2qba h LYS 81 Cb 0.30 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.65 2qba h LYS 81 CO 0.00 1.16 0.22 0.00 -2.00 0.00 0.00 179.45 178.83 2qba h ALA 82 N 0.70 1.28 0.00 0.07 0.00 -1.16 -1.49 119.26 118.66 2qba h ALA 82 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qba h ALA 82 Cb 1.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2qba h ALA 82 CO 0.11 0.53 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 2qba h ALA 83 N 1.39 0.94 0.00 0.00 0.00 -0.29 -3.47 119.26 117.82 2qba h ALA 83 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qba h ALA 83 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qba h ALA 83 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2qba n GLY 84 N 1.17 0.52 3.99 0.00 0.00 0.21 -4.73 105.19 106.34 2qba n GLY 84 Ca 0.04 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2qba n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qba s ILE 85 N -2.00 3.72 -0.24 -0.61 -4.36 -0.00 -4.98 121.20 112.72 2qba s ILE 85 Ca 0.00 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.45 2qba s ILE 85 Cb 0.00 -3.30 -0.17 0.00 1.25 0.00 0.00 42.46 40.24 2qba s ILE 85 CO 0.00 -0.14 -0.17 0.29 0.24 0.00 0.00 174.94 175.17 2qba n LYS 86 N -1.81 0.64 -4.63 0.37 5.02 -1.26 -4.31 118.16 112.19 2qba n LYS 86 Ca 0.02 0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 56.24 2qba n LYS 86 Cb 0.58 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 2qba n LYS 86 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qba s SER 87 N -6.85 3.43 0.00 4.39 0.01 -1.26 -5.04 113.70 108.38 2qba s SER 87 Ca -0.34 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.25 2qba s SER 87 Cb 0.10 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.84 2qba s SER 87 CO 0.59 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2qba n GLY 88 N -1.08 -1.63 0.10 3.44 0.00 -1.26 -5.00 105.19 99.75 2qba n GLY 88 Ca -0.12 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 2qba n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qba n SER 89 N 0.00 1.18 0.00 1.61 2.88 -0.93 -4.92 113.62 113.45 2qba n SER 89 Ca 0.00 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2qba n SER 89 Cb 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2qba n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qba n GLY 90 N 1.67 1.79 2.28 0.46 0.00 -1.26 -4.63 105.19 105.50 2qba n GLY 90 Ca -0.21 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 2qba n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qba n LYS 91 N 0.00 1.21 -1.25 1.61 2.85 -1.26 -5.13 118.16 116.19 2qba n LYS 91 Ca 0.00 -3.56 -0.41 0.00 -1.05 0.00 0.00 58.31 53.29 2qba n LYS 91 Cb 0.00 -1.65 -0.01 0.00 -0.65 0.00 0.00 35.03 32.72 2qba n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2qba n PRO 92 N 0.59 0.00 0.00 -1.58 -0.02 -1.26 -1.54 135.00 131.19 2qba n PRO 92 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2qba n PRO 92 Cb 0.58 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 2qba n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qba n ASN 93 N 2.08 0.00 0.20 2.55 5.03 -1.26 -4.55 115.26 119.31 2qba n ASN 93 Ca 0.13 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.44 2qba n ASN 93 Cb 0.32 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.00 2qba n ASN 93 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2qba h LYS 94 N 0.00 -0.48 -4.32 3.52 1.57 -1.70 -3.43 116.57 111.73 2qba h LYS 94 Ca 0.00 0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 2qba h LYS 94 Cb 0.00 0.11 -0.35 0.00 0.08 0.00 0.00 32.23 32.07 2qba h LYS 94 CO 0.00 -0.19 -0.80 0.34 -0.57 0.00 0.00 179.45 178.23 2qba s ASP 95 N -4.94 1.88 -0.17 0.86 2.15 -1.00 -5.12 116.67 110.34 2qba s ASP 95 Ca -0.15 -0.28 -0.24 0.00 0.43 0.00 0.00 52.55 52.31 2qba s ASP 95 Cb 0.03 -0.79 -0.02 0.00 -0.30 0.00 0.00 42.92 41.84 2qba s ASP 95 CO 0.55 -0.05 0.80 -0.54 -0.17 0.00 0.00 175.17 175.75 2qba s LYS 96 N 1.23 4.29 -0.04 4.34 3.01 -1.26 -4.66 119.74 126.64 2qba s LYS 96 Ca -0.04 0.95 0.12 0.00 -1.01 0.00 0.00 55.97 55.98 2qba s LYS 96 Cb -0.14 -3.57 -0.23 0.00 -1.01 0.00 0.00 37.83 32.88 2qba s LYS 96 CO -0.03 -0.31 0.68 0.28 0.51 0.00 0.00 175.35 176.49 2qba h VAL 97 N 5.18 0.88 -3.21 3.17 2.07 -1.82 -3.49 116.25 119.02 2qba h VAL 97 Ca -0.30 -2.73 -0.08 0.00 0.82 0.00 0.00 66.70 64.42 2qba h VAL 97 Cb 1.13 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 2qba h VAL 97 CO 0.82 0.52 0.19 -0.83 0.02 0.00 0.00 177.57 178.30 2qba s GLY 98 N -5.10 0.63 0.05 2.17 0.00 -1.25 -4.99 107.32 98.82 2qba s GLY 98 Ca -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 2qba s GLY 98 CO 0.82 -0.46 0.01 -1.59 0.00 0.00 0.00 173.10 171.88 2qba s LYS 99 N -2.29 0.58 -0.02 2.90 -2.85 -1.26 -2.56 119.74 114.24 2qba s LYS 99 Ca 0.19 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2qba s LYS 99 Cb -0.04 0.21 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2qba s LYS 99 CO 0.14 -0.12 0.01 0.42 0.10 0.00 0.00 175.35 175.90 2qba s ILE 100 N -3.33 0.09 0.46 3.79 -1.09 1.00 -4.56 121.20 117.56 2qba s ILE 100 Ca 0.01 0.11 -0.23 0.00 -2.23 0.00 0.00 60.65 58.32 2qba s ILE 100 Cb 0.03 -0.18 -0.07 0.00 -1.58 0.00 0.00 42.46 40.66 2qba s ILE 100 CO -0.08 0.11 1.16 -0.94 -1.23 0.00 0.00 174.94 173.96 2qba s SER 101 N 0.89 6.19 0.61 3.58 1.04 -1.26 -0.84 113.70 123.91 2qba s SER 101 Ca -0.08 2.29 0.31 0.00 0.48 0.00 0.00 55.95 58.94 2qba s SER 101 Cb -0.12 -2.60 1.72 0.00 0.10 0.00 0.00 66.02 65.12 2qba s SER 101 CO -0.02 -0.90 2.08 -0.09 0.98 0.00 0.00 173.24 175.30 2qba h ARG 102 N 2.06 0.00 -0.17 4.02 2.43 -1.71 -0.52 114.38 120.49 2qba h ARG 102 Ca -0.49 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2qba h ARG 102 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2qba h ARG 102 CO 0.60 0.00 0.04 0.00 -1.51 0.00 0.00 179.97 179.10 2qba h ALA 103 N 1.70 0.23 -0.76 2.80 0.00 -1.90 -2.56 119.26 118.77 2qba h ALA 103 Ca 0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2qba h ALA 103 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2qba h ALA 103 CO -0.00 -0.12 0.25 1.96 0.00 0.00 0.00 179.25 181.34 2qba h GLN 104 N 0.08 1.17 -0.81 0.00 4.20 -1.47 -2.01 115.11 116.27 2qba h GLN 104 Ca 0.05 -0.24 0.13 0.00 0.06 0.00 0.00 58.65 58.65 2qba h GLN 104 Cb 0.28 -0.17 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 2qba h GLN 104 CO 0.00 0.98 0.42 -0.07 -0.67 0.00 0.00 178.83 179.49 2qba h LEU 105 N 1.12 0.52 -0.27 1.46 3.38 -1.31 0.13 115.31 120.35 2qba h LEU 105 Ca 0.25 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2qba h LEU 105 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qba h LEU 105 CO -0.01 0.25 0.10 -0.61 0.09 0.00 0.00 178.44 178.26 2qba h GLN 106 N 0.64 0.40 0.06 1.13 4.15 -1.01 -0.49 115.11 119.98 2qba h GLN 106 Ca 0.43 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.79 2qba h GLN 106 Cb 0.54 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 2qba h GLN 106 CO -0.33 0.45 -0.30 0.93 -1.93 0.00 0.00 178.83 177.65 2qba h GLU 107 N 0.27 -0.47 -0.59 1.69 5.08 -0.31 0.19 114.58 120.44 2qba h GLU 107 Ca 0.09 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2qba h GLU 107 Cb 0.20 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2qba h GLU 107 CO -0.01 -0.31 0.39 0.82 -1.00 0.00 0.00 179.01 178.91 2qba h ILE 108 N -0.48 1.02 -0.11 3.13 2.04 -0.74 0.95 117.51 123.32 2qba h ILE 108 Ca 0.05 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2qba h ILE 108 Cb 0.54 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2qba h ILE 108 CO -0.22 0.11 -0.31 0.00 0.00 0.00 0.00 178.15 177.73 2qba h ALA 109 N 1.67 1.26 -0.15 1.87 0.00 0.37 -1.75 119.26 122.53 2qba h ALA 109 Ca 0.25 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2qba h ALA 109 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qba h ALA 109 CO -0.07 0.50 -0.21 1.96 0.00 0.00 0.00 179.25 181.43 2qba h GLN 110 N 0.19 0.40 -0.26 0.00 4.20 0.17 -0.41 115.11 119.41 2qba h GLN 110 Ca 0.03 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.51 2qba h GLN 110 Cb 0.66 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2qba h GLN 110 CO 0.05 0.82 0.16 1.15 -0.67 0.00 0.00 178.83 180.34 2qba h THR 111 N 0.02 1.05 -0.00 -0.54 2.02 -1.01 -2.41 112.91 112.03 2qba h THR 111 Ca 0.02 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2qba h THR 111 Cb 0.77 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2qba h THR 111 CO 0.05 0.06 -0.05 0.29 0.37 0.00 0.00 175.52 176.24 2qba n LYS 112 N -4.93 0.93 -0.36 6.66 5.02 -0.68 -4.12 118.16 120.69 2qba n LYS 112 Ca -0.02 -0.28 0.31 0.00 -2.02 0.00 0.00 58.31 56.30 2qba n LYS 112 Cb 0.03 -1.49 0.63 0.00 -0.02 0.00 0.00 35.03 34.18 2qba n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qba h ALA 113 N 3.84 2.70 -0.52 7.82 0.00 -0.53 0.20 119.26 132.78 2qba h ALA 113 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qba h ALA 113 Cb 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2qba h ALA 113 CO 0.00 -1.14 0.23 0.00 0.00 0.00 0.00 179.25 178.35 2qba h ALA 114 N 1.52 0.67 0.00 0.00 0.00 -1.78 -2.99 119.26 116.68 2qba h ALA 114 Ca 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2qba h ALA 114 Cb 2.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2qba h ALA 114 CO -0.21 0.26 -0.70 -0.44 0.00 0.00 0.00 179.25 178.16 2qba h ASP 115 N 0.70 0.00 -4.06 0.00 3.32 -1.06 -3.47 116.42 111.84 2qba h ASP 115 Ca 0.18 -0.06 -0.44 0.00 0.02 0.00 0.00 57.03 56.72 2qba h ASP 115 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2qba h ASP 115 CO -0.02 0.03 0.35 -0.04 -1.72 0.00 0.00 179.24 177.84 2qba s MET 116 N -3.28 4.17 0.00 3.56 -1.94 0.39 -4.97 119.30 117.24 2qba s MET 116 Ca 0.03 1.15 0.24 0.00 -1.71 0.00 0.00 55.69 55.40 2qba s MET 116 Cb 0.10 -2.17 0.27 0.00 2.01 0.00 0.00 34.83 35.05 2qba s MET 116 CO 0.75 -0.09 1.27 0.25 -0.01 0.00 0.00 175.02 177.19 2qba n THR 117 N -0.69 0.00 -1.58 2.05 -2.24 -1.26 -4.90 114.28 105.66 2qba n THR 117 Ca 0.07 -0.23 -0.52 0.00 -2.27 0.00 0.00 64.05 61.10 2qba n THR 117 Cb 0.54 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 2qba n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qba n GLY 118 N 1.38 0.33 0.19 3.38 0.00 -1.26 -4.87 105.19 104.33 2qba n GLY 118 Ca 0.11 0.68 -0.12 0.00 0.00 0.00 0.00 46.02 46.69 2qba n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba h ALA 119 N 4.23 0.51 -2.01 4.61 0.00 -1.95 -3.46 119.26 121.18 2qba h ALA 119 Ca -0.47 -0.61 -0.48 0.00 0.00 0.00 0.00 54.91 53.34 2qba h ALA 119 Cb 1.35 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 2qba h ALA 119 CO 0.75 0.75 -0.61 -0.51 0.00 0.00 0.00 179.25 179.63 2qba s ASP 120 N -7.02 2.43 0.23 0.00 1.01 -1.26 -5.05 116.67 107.02 2qba s ASP 120 Ca -0.07 -1.38 -0.06 0.00 0.71 0.00 0.00 52.55 51.74 2qba s ASP 120 Cb 0.10 -0.08 0.22 0.00 1.01 0.00 0.00 42.92 44.17 2qba s ASP 120 CO 0.86 -0.61 1.83 0.40 0.21 0.00 0.00 175.17 177.86 2qba h ILE 121 N 2.09 1.26 -0.67 0.77 2.04 -2.00 -2.38 117.51 118.63 2qba h ILE 121 Ca -0.41 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 64.75 2qba h ILE 121 Cb 1.24 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2qba h ILE 121 CO 0.70 0.31 0.43 -0.33 0.00 0.00 0.00 178.15 179.26 2qba h GLU 122 N 1.19 0.85 0.70 2.37 3.07 -1.99 -1.99 114.58 118.77 2qba h GLU 122 Ca 0.29 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 2qba h GLU 122 Cb 0.11 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2qba h GLU 122 CO -0.04 0.56 -0.51 0.00 -1.40 0.00 0.00 179.01 177.63 2qba h ALA 123 N 1.26 -1.24 -0.90 3.43 0.00 -1.84 -1.64 119.26 118.33 2qba h ALA 123 Ca 0.25 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.08 2qba h ALA 123 Cb -0.07 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2qba h ALA 123 CO -0.07 -1.22 0.58 0.00 0.00 0.00 0.00 179.25 178.54 2qba h MET 124 N -1.15 0.65 -0.42 0.00 -0.00 -1.38 -0.71 114.93 111.92 2qba h MET 124 Ca -0.09 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.55 2qba h MET 124 Cb 0.95 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 32.38 2qba h MET 124 CO 0.05 0.43 0.17 1.15 -0.00 0.00 0.00 176.91 178.71 2qba h THR 125 N 0.67 1.20 -0.92 -0.10 2.02 -1.04 -1.26 112.91 113.47 2qba h THR 125 Ca 0.46 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 67.08 2qba h THR 125 Cb 0.78 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 2qba h THR 125 CO -0.22 0.22 0.61 0.03 0.37 0.00 0.00 175.52 176.53 2qba h ARG 126 N 0.54 1.12 -0.52 6.66 3.08 -0.18 -1.25 114.38 123.82 2qba h ARG 126 Ca 0.14 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2qba h ARG 126 Cb 0.18 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2qba h ARG 126 CO -0.01 0.74 0.09 0.77 -1.07 0.00 0.00 179.97 180.49 2qba h SER 127 N 1.15 0.82 -0.13 7.04 0.02 -0.88 -2.34 113.55 119.23 2qba h SER 127 Ca 0.37 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2qba h SER 127 Cb 0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2qba h SER 127 CO -0.11 0.87 0.02 0.40 -1.14 0.00 0.00 176.83 176.86 2qba h ILE 128 N 0.74 1.13 -0.84 3.27 1.08 -0.41 -1.96 117.51 120.50 2qba h ILE 128 Ca 0.16 -0.47 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 2qba h ILE 128 Cb 0.39 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2qba h ILE 128 CO 0.01 0.16 0.42 -0.33 -0.69 0.00 0.00 178.15 177.72 2qba h GLU 129 N 0.30 1.20 -0.38 2.37 5.08 -0.71 -2.26 114.58 120.18 2qba h GLU 129 Ca 0.07 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2qba h GLU 129 Cb 0.17 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2qba h GLU 129 CO 0.00 0.91 0.25 0.78 -1.00 0.00 0.00 179.01 179.95 2qba h GLY 130 N 1.20 0.53 1.20 -3.84 0.00 -1.12 -0.84 103.07 100.20 2qba h GLY 130 Ca 0.29 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 2qba h GLY 130 CO -0.04 0.19 -0.49 -0.91 0.00 0.00 0.00 176.54 175.29 2qba h THR 131 N 0.50 1.28 -0.16 4.70 1.35 -1.39 -2.94 112.91 116.25 2qba h THR 131 Ca 0.14 -1.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.31 2qba h THR 131 Cb -0.05 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 2qba h THR 131 CO -0.03 0.55 0.03 0.00 -0.25 0.00 0.00 175.52 175.82 2qba h ALA 132 N 0.76 0.21 -0.29 6.62 0.00 -0.99 -2.60 119.26 122.97 2qba h ALA 132 Ca 0.03 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2qba h ALA 132 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2qba h ALA 132 CO 0.11 -0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.43 2qba h ARG 133 N 0.05 0.00 0.00 0.00 3.08 -1.20 -0.53 114.38 115.79 2qba h ARG 133 Ca 0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qba h ARG 133 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2qba h ARG 133 CO 0.00 0.00 -0.30 0.77 -1.07 0.00 0.00 179.97 179.38 2qba h SER 134 N 0.00 0.00 -0.36 7.04 0.02 -1.31 -3.30 113.55 115.65 2qba h SER 134 Ca 0.14 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2qba h SER 134 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2qba h SER 134 CO -0.00 0.03 0.00 1.15 -1.14 0.00 0.00 176.83 176.87 2qba n MET 135 N -2.45 2.90 -2.21 3.45 0.00 -0.34 -4.73 117.12 113.74 2qba n MET 135 Ca 0.04 -2.19 -0.09 0.00 0.00 0.00 0.00 57.70 55.46 2qba n MET 135 Cb 0.47 -1.37 -0.00 0.00 0.00 0.00 0.00 33.22 32.32 2qba n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qba n GLY 136 N 0.43 0.04 3.17 3.17 0.00 -0.81 -2.19 105.19 109.01 2qba n GLY 136 Ca 0.14 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2qba n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qba s LEU 137 N -2.50 4.12 0.55 0.99 1.43 -0.41 -2.60 118.68 120.27 2qba s LEU 137 Ca 0.01 -1.38 -0.15 0.00 -1.03 0.00 0.00 54.13 51.58 2qba s LEU 137 Cb -0.01 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2qba s LEU 137 CO 0.02 -0.30 1.01 -0.69 0.23 0.00 0.00 176.35 176.61 2qba s VAL 138 N 1.24 4.45 -0.09 -1.59 1.01 -1.06 -4.10 120.40 120.25 2qba s VAL 138 Ca -0.03 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2qba s VAL 138 Cb -0.20 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2qba s VAL 138 CO -0.01 -0.77 -0.18 0.68 0.00 0.00 0.00 175.10 174.82 2qba s VAL 139 N -2.74 2.65 -0.36 2.92 -7.23 -1.26 -0.00 120.40 114.38 2qba s VAL 139 Ca 0.59 -0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 59.79 2qba s VAL 139 Cb -0.11 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2qba s VAL 139 CO 0.38 0.55 0.29 -0.70 -0.31 0.00 0.00 175.10 175.31 2qba s GLU 140 N 0.04 3.35 0.00 4.82 2.56 -0.02 -4.90 118.70 124.55 2qba s GLU 140 Ca -0.07 -0.71 0.28 0.00 0.00 0.00 0.00 54.97 54.47 2qba s GLU 140 Cb -0.15 -3.86 1.06 0.00 2.00 0.00 0.00 34.13 33.18 2qba s GLU 140 CO 0.05 -0.56 1.75 -0.25 -0.56 0.00 0.00 175.26 175.69