#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc s LYS 2 N 0.00 0.50 -0.29 0.00 0.00 -1.26 -5.13 119.74 113.56 2qbc s LYS 2 Ca 0.00 1.10 0.05 0.00 0.00 0.00 0.00 55.97 57.12 2qbc s LYS 2 Cb 0.00 0.28 0.19 0.00 0.00 0.00 0.00 37.83 38.30 2qbc s LYS 2 CO 0.00 -0.19 0.53 0.15 0.00 0.00 0.00 175.35 175.85 2qbc s LYS 3 N 2.04 0.52 0.01 1.78 3.01 -1.26 -5.16 119.74 120.69 2qbc s LYS 3 Ca -0.07 0.39 -0.07 0.00 -1.01 0.00 0.00 55.97 55.21 2qbc s LYS 3 Cb -0.09 0.07 -0.00 0.00 -1.01 0.00 0.00 37.83 36.80 2qbc s LYS 3 CO -0.16 -1.05 0.13 0.54 0.51 0.00 0.00 175.35 175.32 2qbc s VAL 4 N 2.72 0.09 0.81 3.17 0.11 -1.26 -5.17 120.40 120.87 2qbc s VAL 4 Ca 0.10 -0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 58.16 2qbc s VAL 4 Cb -0.11 -0.53 -0.16 0.00 -1.53 0.00 0.00 36.38 34.05 2qbc s VAL 4 CO -0.27 -0.42 -1.20 0.00 -3.33 0.00 0.00 175.10 169.87 2qbc n GLN 5 N 1.29 0.00 0.00 1.54 10.64 -1.26 -4.93 117.38 124.67 2qbc n GLN 5 Ca -0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.95 2qbc n GLN 5 Cb 0.56 -0.81 0.00 0.00 -0.86 0.00 0.00 30.24 29.14 2qbc n GLN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qbc n ALA 6 N -2.74 -1.00 -2.97 2.61 0.00 -1.26 -5.02 120.51 110.13 2qbc n ALA 6 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2qbc n ALA 6 Cb 0.60 -0.31 0.01 0.00 0.00 0.00 0.00 19.45 19.75 2qbc n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qbc n TYR 7 N 0.22 -3.30 -2.85 0.00 4.19 -1.26 -5.00 117.16 109.16 2qbc n TYR 7 Ca 0.00 1.36 -0.25 0.00 3.31 0.00 0.00 57.90 62.32 2qbc n TYR 7 Cb 0.00 -3.56 0.01 0.00 0.49 0.00 0.00 39.34 36.28 2qbc n TYR 7 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2qbc s VAL 8 N -2.25 4.38 -0.01 2.97 -7.23 0.72 -4.94 120.40 114.04 2qbc s VAL 8 Ca 0.24 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2qbc s VAL 8 Cb -0.06 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.24 2qbc s VAL 8 CO 0.77 -0.54 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.47 2qbc s LYS 9 N -4.65 0.13 0.02 4.82 1.02 -1.26 -0.85 119.74 118.98 2qbc s LYS 9 Ca 0.48 -0.02 -0.25 0.00 0.02 0.00 0.00 55.97 56.19 2qbc s LYS 9 Cb -0.10 -0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.09 2qbc s LYS 9 CO 0.41 -0.01 0.58 -0.48 -0.92 0.00 0.00 175.35 174.94 2qbc s LEU 10 N 0.20 -0.34 -0.49 3.17 0.05 -0.64 -5.00 118.68 115.63 2qbc s LEU 10 Ca -0.02 0.36 -0.07 0.00 0.05 0.00 0.00 54.13 54.45 2qbc s LEU 10 Cb -0.03 2.32 0.13 0.00 -2.05 0.00 0.00 46.19 46.55 2qbc s LEU 10 CO -0.01 -0.70 0.34 -1.10 -0.55 0.00 0.00 176.35 174.34 2qbc s GLN 11 N -2.10 2.42 0.09 1.48 -0.21 -1.26 -0.42 119.66 119.65 2qbc s GLN 11 Ca -0.07 -1.92 0.06 0.00 0.02 0.00 0.00 55.36 53.44 2qbc s GLN 11 Cb -0.01 -3.83 -0.04 0.00 1.00 0.00 0.00 33.01 30.13 2qbc s GLN 11 CO 0.01 -1.17 -0.05 0.54 -2.12 0.00 0.00 175.29 172.51 2qbc s VAL 12 N 1.04 3.70 1.03 1.09 0.11 -1.21 -4.92 120.40 121.25 2qbc s VAL 12 Ca 0.09 -1.08 -0.16 0.00 -2.93 0.00 0.00 61.98 57.89 2qbc s VAL 12 Cb -0.24 -2.73 0.05 0.00 -1.53 0.00 0.00 36.38 31.93 2qbc s VAL 12 CO -0.02 0.15 0.09 0.00 -3.33 0.00 0.00 175.10 171.99 2qbc n ALA 13 N 0.74 -3.58 -0.82 1.54 0.00 -1.26 -2.81 120.51 114.31 2qbc n ALA 13 Ca -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.36 2qbc n ALA 13 Cb 0.52 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2qbc n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc n ALA 14 N -3.93 -0.08 -3.07 0.00 0.00 -1.20 -4.24 120.51 107.99 2qbc n ALA 14 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2qbc n ALA 14 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 2qbc n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 15 N -0.45 5.03 3.65 0.00 0.00 -1.26 -4.56 105.19 107.59 2qbc n GLY 15 Ca 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 46.02 43.35 2qbc n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qbc s MET 16 N -2.57 0.13 0.03 1.61 -2.45 -1.26 -5.03 119.30 109.76 2qbc s MET 16 Ca 0.31 0.19 -0.29 0.00 -1.25 0.00 0.00 55.69 54.66 2qbc s MET 16 Cb 0.03 0.05 0.10 0.00 1.25 0.00 0.00 34.83 36.26 2qbc s MET 16 CO 0.08 -0.02 1.15 0.00 1.05 0.00 0.00 175.02 177.27 2qbc s ALA 17 N 0.64 -2.00 0.00 4.11 0.00 -1.26 -4.38 121.76 118.86 2qbc s ALA 17 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2qbc s ALA 17 Cb -0.04 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2qbc s ALA 17 CO -0.12 -1.00 0.00 -1.71 0.00 0.00 0.00 175.76 172.93 2qbc n ASN 18 N -0.44 0.00 -4.54 0.00 2.85 -1.26 -4.98 115.26 106.89 2qbc n ASN 18 Ca -0.07 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.97 2qbc n ASN 18 Cb 0.62 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.63 2qbc n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qbc n PRO 19 N -0.17 1.00 0.31 1.20 -0.02 -1.26 -4.27 135.00 131.79 2qbc n PRO 19 Ca 0.00 0.36 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 2qbc n PRO 19 Cb 0.00 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 2qbc n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbc h SER 20 N 1.45 -0.68 0.13 2.55 0.87 -1.97 -0.73 113.55 115.18 2qbc h SER 20 Ca -0.40 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2qbc h SER 20 Cb 1.37 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 2qbc h SER 20 CO 0.57 -0.32 -0.32 -0.65 -0.53 0.00 0.00 176.83 175.58 2qbc h PRO 21 N -1.07 -0.53 0.51 2.24 0.11 -1.99 -3.19 132.00 128.08 2qbc h PRO 21 Ca -0.08 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2qbc h PRO 21 Cb 0.67 0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.90 2qbc h PRO 21 CO 0.13 -0.35 -0.25 -1.35 -0.21 0.00 0.00 178.00 175.97 2qbc h PRO 22 N -0.55 -0.67 0.00 1.05 0.11 -1.96 -3.46 132.00 126.53 2qbc h PRO 22 Ca 0.03 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2qbc h PRO 22 Cb 0.57 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qbc h PRO 22 CO -0.18 -0.39 0.00 0.28 -0.21 0.00 0.00 178.00 177.50 2qbc n VAL 23 N -5.34 0.00 0.00 3.15 0.31 -0.32 -4.80 118.33 111.33 2qbc n VAL 23 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2qbc n VAL 23 Cb 0.31 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 2qbc n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qbc n GLY 24 N 5.00 1.89 0.49 2.92 0.00 -0.93 -1.58 105.19 112.97 2qbc n GLY 24 Ca 0.00 0.53 0.36 0.00 0.00 0.00 0.00 46.02 46.91 2qbc n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qbc h PRO 25 N 0.00 0.12 -0.09 1.61 0.11 -1.87 0.17 132.00 132.04 2qbc h PRO 25 Ca 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.11 2qbc h PRO 25 Cb 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 2qbc h PRO 25 CO 0.00 0.08 -0.09 0.00 -0.21 0.00 0.00 178.00 177.78 2qbc h ALA 26 N 1.53 -0.29 0.00 -0.75 0.00 -1.54 -2.62 119.26 115.59 2qbc h ALA 26 Ca 0.77 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.69 2qbc h ALA 26 Cb 2.49 0.86 0.00 0.00 0.00 0.00 0.00 17.79 21.14 2qbc h ALA 26 CO -0.32 -0.34 -0.85 1.47 0.00 0.00 0.00 179.25 179.21 2qbc n LEU 27 N -3.19 0.64 0.03 0.00 -0.00 -1.06 -4.08 117.00 109.33 2qbc n LEU 27 Ca -0.00 0.08 0.13 0.00 -0.00 0.00 0.00 56.01 56.22 2qbc n LEU 27 Cb 0.05 -0.14 0.59 0.00 -0.00 0.00 0.00 43.42 43.92 2qbc n LEU 27 CO -0.01 0.01 1.16 1.23 -0.00 0.00 0.00 177.39 179.78 2qbc h GLY 28 N 4.54 0.26 0.96 1.47 0.00 -0.36 -1.31 103.07 108.63 2qbc h GLY 28 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2qbc h GLY 28 CO 0.00 0.05 0.19 1.46 0.00 0.00 0.00 176.54 178.25 2qbc h GLN 29 N 0.19 0.51 -0.14 4.80 4.20 -1.62 -2.14 115.11 120.92 2qbc h GLN 29 Ca 0.20 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.88 2qbc h GLN 29 Cb 0.53 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2qbc h GLN 29 CO -0.03 0.43 0.12 1.96 -0.67 0.00 0.00 178.83 180.64 2qbc h GLN 30 N 0.46 0.00 0.00 1.46 1.08 -1.49 -3.45 115.11 113.17 2qbc h GLN 30 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2qbc h GLN 30 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2qbc h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qbc n GLY 31 N -1.48 1.64 3.82 3.46 0.00 -0.80 -5.03 105.19 106.80 2qbc n GLY 31 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2qbc n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbc s VAL 32 N -2.00 4.16 -0.74 1.61 1.01 -1.16 -4.83 120.40 118.44 2qbc s VAL 32 Ca 0.00 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 2qbc s VAL 32 Cb 0.00 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.94 2qbc s VAL 32 CO 0.00 -0.46 0.92 0.20 0.00 0.00 0.00 175.10 175.76 2qbc s ASN 33 N -2.56 6.38 0.07 3.32 0.02 -1.26 -4.67 114.94 116.23 2qbc s ASN 33 Ca 0.63 -1.63 -0.14 0.00 -1.02 0.00 0.00 52.86 50.70 2qbc s ASN 33 Cb -0.13 -2.36 -0.04 0.00 0.02 0.00 0.00 41.25 38.75 2qbc s ASN 33 CO 0.26 -1.14 1.24 0.40 0.02 0.00 0.00 177.10 177.88 2qbc h ILE 34 N 5.81 0.00 -0.59 0.60 1.08 -1.94 -2.34 117.51 120.13 2qbc h ILE 34 Ca -0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.45 2qbc h ILE 34 Cb 1.06 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.70 2qbc h ILE 34 CO 1.10 0.00 -0.45 -0.03 -0.69 0.00 0.00 178.15 178.08 2qbc h MET 35 N -0.07 -0.22 -0.25 2.37 4.05 -1.97 -0.30 114.93 118.54 2qbc h MET 35 Ca 0.05 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 2qbc h MET 35 Cb 0.21 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 30.99 2qbc h MET 35 CO -0.35 -0.15 -0.27 1.49 0.23 0.00 0.00 176.91 177.86 2qbc h GLU 36 N -0.23 -0.27 -0.54 0.39 4.81 -1.90 -2.19 114.58 114.64 2qbc h GLU 36 Ca 0.17 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2qbc h GLU 36 Cb 0.56 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2qbc h GLU 36 CO -0.69 -0.18 0.36 0.35 -0.73 0.00 0.00 179.01 178.12 2qbc h PHE 37 N -0.28 0.68 -0.35 0.92 3.57 -0.89 0.17 116.94 120.77 2qbc h PHE 37 Ca 0.14 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.72 2qbc h PHE 37 Cb 0.49 -0.23 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 2qbc h PHE 37 CO -0.43 0.43 -0.41 0.00 -2.23 0.00 0.00 178.31 175.68 2qbc h LYS 39 N -0.34 0.76 0.02 0.00 1.79 -1.34 -2.72 116.57 114.73 2qbc h LYS 39 Ca 0.13 -0.49 0.01 0.00 -2.18 0.00 0.00 60.65 58.12 2qbc h LYS 39 Cb 0.58 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 2qbc h LYS 39 CO -0.53 1.11 -0.07 0.00 -1.08 0.00 0.00 179.45 178.88 2qbc h ALA 40 N 0.64 -0.09 0.36 3.86 0.00 -0.01 -0.84 119.26 123.18 2qbc h ALA 40 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qbc h ALA 40 Cb 1.09 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qbc h ALA 40 CO 0.11 -0.57 -0.18 0.35 0.00 0.00 0.00 179.25 178.96 2qbc h PHE 41 N -0.13 -0.46 0.00 0.00 3.57 0.64 -2.69 116.94 117.87 2qbc h PHE 41 Ca 0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qbc h PHE 41 Cb 0.16 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2qbc h PHE 41 CO -0.13 -0.28 0.30 -0.91 -2.23 0.00 0.00 178.31 175.06 2qbc h ASN 42 N -0.49 0.00 0.31 0.41 2.35 -1.52 -1.42 115.58 115.22 2qbc h ASN 42 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2qbc h ASN 42 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2qbc h ASN 42 CO 0.08 0.00 -0.15 0.00 -1.65 0.00 0.00 177.43 175.71 2qbc h ALA 43 N 1.26 -0.42 0.00 -0.83 0.00 -0.79 -3.09 119.26 115.38 2qbc h ALA 43 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2qbc h ALA 43 Cb 0.61 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2qbc h ALA 43 CO 0.00 -0.59 -0.45 0.87 0.00 0.00 0.00 179.25 179.08 2qbc h LYS 44 N -0.71 0.00 0.00 0.00 1.57 -1.31 -3.19 116.57 112.94 2qbc h LYS 44 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qbc h LYS 44 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2qbc h LYS 44 CO 0.07 0.45 0.00 1.79 -0.57 0.00 0.00 179.45 181.19 2qbc h THR 45 N 0.00 0.00 -0.29 -0.16 1.35 -1.33 -1.89 112.91 110.58 2qbc h THR 45 Ca -0.00 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.69 2qbc h THR 45 Cb 1.31 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2qbc h THR 45 CO 0.06 0.00 0.03 0.44 -0.25 0.00 0.00 175.52 175.79 2qbc h ASP 46 N 0.00 0.48 -0.25 5.36 3.32 -1.52 -3.05 116.42 120.76 2qbc h ASP 46 Ca 0.00 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 2qbc h ASP 46 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qbc h ASP 46 CO 0.00 0.65 -0.06 0.28 -1.72 0.00 0.00 179.24 178.38 2qbc h SER 47 N 0.31 0.49 -4.29 6.45 0.02 -1.56 -3.43 113.55 111.53 2qbc h SER 47 Ca 0.09 -0.37 -0.51 0.00 -0.84 0.00 0.00 61.79 60.15 2qbc h SER 47 Cb 0.38 -0.13 0.13 0.00 0.14 0.00 0.00 62.40 62.92 2qbc h SER 47 CO 0.01 0.74 0.32 -0.51 -1.14 0.00 0.00 176.83 176.26 2qbc s ILE 48 N -4.75 3.20 -0.40 3.27 2.07 -1.04 -4.83 121.20 118.72 2qbc s ILE 48 Ca -0.13 0.42 -0.42 0.00 -1.41 0.00 0.00 60.65 59.11 2qbc s ILE 48 Cb 0.07 -2.89 -0.17 0.00 0.13 0.00 0.00 42.46 39.61 2qbc s ILE 48 CO 0.76 -0.48 1.87 -0.62 -1.91 0.00 0.00 174.94 174.56 2qbc n GLU 49 N -3.35 0.57 -2.87 3.50 -0.58 -1.26 -4.86 120.64 111.79 2qbc n GLU 49 Ca 0.10 0.19 -0.38 0.00 -0.42 0.00 0.00 57.16 56.65 2qbc n GLU 49 Cb 0.53 -1.86 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 2qbc n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2qbc s LYS 50 N 4.38 4.61 0.00 3.49 1.02 -1.26 -3.54 119.74 128.44 2qbc s LYS 50 Ca 1.07 1.26 0.00 0.00 0.02 0.00 0.00 55.97 58.32 2qbc s LYS 50 Cb -1.25 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.00 2qbc s LYS 50 CO 0.68 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.95 2qbc n GLY 51 N 1.10 1.19 3.46 -3.33 0.00 -1.26 -5.02 105.19 101.33 2qbc n GLY 51 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qbc n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbc s LEU 52 N 0.00 3.32 -0.28 0.99 1.43 -1.23 -4.85 118.68 118.06 2qbc s LEU 52 Ca 0.00 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 2qbc s LEU 52 Cb 0.00 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2qbc s LEU 52 CO 0.00 0.07 1.96 -2.16 0.23 0.00 0.00 176.35 176.45 2qbc s PRO 53 N 1.00 3.28 -0.19 1.29 0.04 -1.26 -3.24 135.00 135.91 2qbc s PRO 53 Ca 0.02 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 2qbc s PRO 53 Cb -0.14 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.12 2qbc s PRO 53 CO 0.02 -1.93 -0.05 -1.50 0.04 0.00 0.00 177.00 173.58 2qbc s ILE 54 N 7.38 3.52 -0.16 0.56 -1.16 -1.12 -4.20 121.20 126.01 2qbc s ILE 54 Ca 0.88 -0.47 -0.29 0.00 -0.51 0.00 0.00 60.65 60.26 2qbc s ILE 54 Cb -0.27 -2.56 -0.01 0.00 0.61 0.00 0.00 42.46 40.22 2qbc s ILE 54 CO 0.34 0.46 1.20 -2.16 -2.81 0.00 0.00 174.94 171.97 2qbc s PRO 55 N 0.97 4.26 0.00 3.50 0.04 -1.26 -3.36 135.00 139.15 2qbc s PRO 55 Ca -0.00 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.68 2qbc s PRO 55 Cb -0.15 -3.70 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 2qbc s PRO 55 CO 0.01 -0.64 -0.14 0.54 0.04 0.00 0.00 177.00 176.80 2qbc s VAL 56 N 3.19 3.07 -0.28 -0.36 0.11 0.44 -3.54 120.40 123.03 2qbc s VAL 56 Ca 0.53 -0.93 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 2qbc s VAL 56 Cb -0.21 -2.27 0.03 0.00 -1.53 0.00 0.00 36.38 32.40 2qbc s VAL 56 CO 0.14 0.44 0.01 -0.69 -3.33 0.00 0.00 175.10 171.67 2qbc s VAL 57 N -0.87 3.31 -0.10 2.04 1.01 -1.23 -1.62 120.40 122.94 2qbc s VAL 57 Ca 0.14 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 2qbc s VAL 57 Cb -0.11 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2qbc s VAL 57 CO 0.04 0.08 0.30 -0.63 0.00 0.00 0.00 175.10 174.89 2qbc s ILE 58 N 1.37 5.26 -0.21 2.22 1.01 -0.03 -2.97 121.20 127.86 2qbc s ILE 58 Ca -0.00 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.24 2qbc s ILE 58 Cb -0.18 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.72 2qbc s ILE 58 CO -0.01 0.49 -0.12 0.28 0.00 0.00 0.00 174.94 175.58 2qbc s THR 59 N -0.29 1.79 0.14 2.92 -1.32 -0.26 -0.20 115.64 118.42 2qbc s THR 59 Ca 0.19 -1.10 -0.08 0.00 -1.21 0.00 0.00 61.69 59.48 2qbc s THR 59 Cb -0.14 -1.83 -0.06 0.00 -1.51 0.00 0.00 72.50 68.96 2qbc s THR 59 CO 0.07 0.19 0.43 -0.69 -2.21 0.00 0.00 174.62 172.42 2qbc s VAL 60 N 1.33 5.07 0.55 5.08 1.01 -1.26 -2.41 120.40 129.77 2qbc s VAL 60 Ca -0.02 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2qbc s VAL 60 Cb -0.16 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2qbc s VAL 60 CO -0.08 0.11 0.41 -0.31 0.00 0.00 0.00 175.10 175.23 2qbc s TYR 61 N -1.59 1.59 0.49 5.22 2.02 -0.80 -4.68 117.35 119.59 2qbc s TYR 61 Ca 0.40 -0.85 0.21 0.00 -0.37 0.00 0.00 57.07 56.46 2qbc s TYR 61 Cb -0.13 -1.91 1.33 0.00 -0.40 0.00 0.00 41.96 40.85 2qbc s TYR 61 CO 0.21 -0.50 2.10 0.00 -1.57 0.00 0.00 175.55 175.79 2qbc h ALA 62 N 0.73 1.63 0.00 3.71 0.00 -1.99 0.29 119.26 123.62 2qbc h ALA 62 Ca -0.36 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qbc h ALA 62 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qbc h ALA 62 CO 0.57 0.12 0.00 -3.47 0.00 0.00 0.00 179.25 176.46 2qbc n ASP 63 N -4.11 0.00 0.00 0.00 -0.08 -1.26 -4.80 116.55 106.30 2qbc n ASP 63 Ca -0.03 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.67 2qbc n ASP 63 Cb 0.18 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.18 2qbc n ASP 63 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2qbc n ARG 64 N -1.45 0.00 -1.20 -0.67 1.74 0.10 -4.98 116.66 110.20 2qbc n ARG 64 Ca 0.03 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 2qbc n ARG 64 Cb 0.12 -2.43 0.20 0.00 -1.02 0.00 0.00 32.46 29.33 2qbc n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbc n SER 65 N 0.00 -1.12 -3.53 0.55 2.88 -1.26 -4.57 113.62 106.56 2qbc n SER 65 Ca 0.00 -1.21 -0.08 0.00 -1.33 0.00 0.00 58.87 56.25 2qbc n SER 65 Cb 0.00 -0.87 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 2qbc n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2qbc s PHE 66 N -3.03 -0.33 0.09 0.66 -0.71 -1.26 -1.90 117.98 111.50 2qbc s PHE 66 Ca 0.63 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.70 2qbc s PHE 66 Cb -0.04 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 2qbc s PHE 66 CO 0.46 -0.61 -0.07 0.95 -1.34 0.00 0.00 175.22 174.61 2qbc s THR 67 N -3.19 0.69 -0.06 -4.49 -4.23 -1.01 -4.97 115.64 98.37 2qbc s THR 67 Ca 0.06 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 2qbc s THR 67 Cb -0.01 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.41 2qbc s THR 67 CO -0.08 -0.75 0.27 0.72 -0.54 0.00 0.00 174.62 174.24 2qbc s PHE 68 N -3.07 -0.21 -0.27 3.99 -0.71 -1.26 -1.10 117.98 115.33 2qbc s PHE 68 Ca 0.07 0.46 -0.05 0.00 -1.04 0.00 0.00 56.93 56.38 2qbc s PHE 68 Cb 0.01 0.08 0.01 0.00 -1.21 0.00 0.00 43.02 41.92 2qbc s PHE 68 CO -0.03 -0.25 0.02 0.14 -1.34 0.00 0.00 175.22 173.76 2qbc s VAL 69 N -0.56 3.55 -0.35 -2.49 -7.23 -1.16 -4.96 120.40 107.21 2qbc s VAL 69 Ca -0.07 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 2qbc s VAL 69 Cb -0.04 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.10 2qbc s VAL 69 CO 0.02 0.14 0.92 0.28 -0.31 0.00 0.00 175.10 176.15 2qbc s THR 70 N 1.44 4.61 0.00 5.32 -1.32 -1.26 -3.50 115.64 120.92 2qbc s THR 70 Ca 0.02 1.26 0.00 0.00 -1.21 0.00 0.00 61.69 61.76 2qbc s THR 70 Cb -0.17 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.51 2qbc s THR 70 CO -0.00 -0.48 0.00 0.29 -2.21 0.00 0.00 174.62 172.22 2qbc n LYS 71 N 6.69 3.73 -4.10 7.08 5.02 -1.23 -5.08 118.16 130.26 2qbc n LYS 71 Ca 0.07 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 2qbc n LYS 71 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 2qbc n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2qbc s THR 72 N 2.25 4.61 0.58 -0.18 -1.32 -1.26 -4.82 115.64 115.50 2qbc s THR 72 Ca 0.00 -0.54 -0.19 0.00 -1.21 0.00 0.00 61.69 59.75 2qbc s THR 72 Cb 0.00 -3.14 -0.05 0.00 -1.51 0.00 0.00 72.50 67.80 2qbc s THR 72 CO 0.00 0.28 1.00 -0.81 -2.21 0.00 0.00 174.62 172.88 2qbc n PRO 73 N 0.97 1.01 -1.46 7.08 -0.04 -1.26 -4.53 135.00 136.76 2qbc n PRO 73 Ca -0.12 0.38 -0.39 0.00 -0.04 0.00 0.00 63.50 63.34 2qbc n PRO 73 Cb 0.52 -2.19 0.03 0.00 -0.04 0.00 0.00 33.50 31.82 2qbc n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2qbc n PRO 74 N -0.89 0.56 -0.20 0.54 -0.02 -1.26 -4.75 135.00 128.98 2qbc n PRO 74 Ca 0.13 0.21 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 2qbc n PRO 74 Cb 0.46 -1.64 0.13 0.00 -0.02 0.00 0.00 33.50 32.43 2qbc n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbc h ALA 75 N 0.45 1.11 -0.27 3.55 0.00 -1.98 -1.32 119.26 120.80 2qbc h ALA 75 Ca -0.44 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.29 2qbc h ALA 75 Cb 1.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2qbc h ALA 75 CO 0.49 0.61 0.09 0.00 0.00 0.00 0.00 179.25 180.43 2qbc h ALA 76 N 1.24 0.30 -0.08 0.00 0.00 -1.92 0.53 119.26 119.33 2qbc h ALA 76 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qbc h ALA 76 Cb 0.30 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qbc h ALA 76 CO -0.00 -0.32 0.04 0.28 0.00 0.00 0.00 179.25 179.24 2qbc h VAL 77 N 0.21 1.12 -0.85 0.00 2.07 -1.84 -1.92 116.25 115.03 2qbc h VAL 77 Ca 0.12 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.40 2qbc h VAL 77 Cb 0.10 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2qbc h VAL 77 CO -0.13 0.10 0.55 -0.07 0.02 0.00 0.00 177.57 178.04 2qbc h LEU 78 N -0.00 0.72 -0.68 2.57 3.38 -0.91 -0.64 115.31 119.74 2qbc h LEU 78 Ca 0.03 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2qbc h LEU 78 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qbc h LEU 78 CO -0.00 0.42 -0.35 -0.07 0.09 0.00 0.00 178.44 178.53 2qbc h LEU 79 N 0.79 0.65 -0.66 1.67 3.38 -0.58 -1.82 115.31 118.75 2qbc h LEU 79 Ca 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qbc h LEU 79 Cb 0.46 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2qbc h LEU 79 CO -0.16 0.95 0.37 0.11 0.09 0.00 0.00 178.44 179.80 2qbc h LYS 80 N 0.52 0.92 0.28 1.13 1.57 -0.34 0.14 116.57 120.79 2qbc h LYS 80 Ca 0.05 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2qbc h LYS 80 Cb 0.85 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2qbc h LYS 80 CO 0.07 0.69 -0.13 0.87 -0.57 0.00 0.00 179.45 180.37 2qbc h LYS 81 N 0.91 -0.36 -0.70 3.15 1.57 -1.25 0.39 116.57 120.28 2qbc h LYS 81 Ca 0.23 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.14 2qbc h LYS 81 Cb 0.03 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 2qbc h LYS 81 CO -0.04 -0.07 0.31 0.00 -0.57 0.00 0.00 179.45 179.08 2qbc h ALA 82 N -0.03 0.95 0.00 3.86 0.00 -1.20 0.25 119.26 123.10 2qbc h ALA 82 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qbc h ALA 82 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qbc h ALA 82 CO 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2qbc h ALA 83 N 1.46 1.00 -0.23 0.00 0.00 -0.65 -3.47 119.26 117.37 2qbc h ALA 83 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2qbc h ALA 83 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2qbc h ALA 83 CO -0.31 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.26 2qbc n GLY 84 N 0.63 0.75 4.01 0.00 0.00 0.11 -4.69 105.19 105.99 2qbc n GLY 84 Ca 0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 2qbc n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qbc s ILE 85 N -2.16 2.86 -0.19 -0.61 -4.36 0.54 -4.98 121.20 112.29 2qbc s ILE 85 Ca 0.00 -0.95 0.03 0.00 -0.26 0.00 0.00 60.65 59.46 2qbc s ILE 85 Cb 0.00 -2.91 -0.14 0.00 1.25 0.00 0.00 42.46 40.67 2qbc s ILE 85 CO 0.00 0.00 -0.15 0.29 0.24 0.00 0.00 174.94 175.32 2qbc n LYS 86 N -1.96 0.60 -4.42 0.37 5.02 -1.26 -4.45 118.16 112.06 2qbc n LYS 86 Ca 0.09 0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 56.25 2qbc n LYS 86 Cb 0.59 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 34.13 2qbc n LYS 86 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qbc s SER 87 N -5.81 2.29 0.00 4.39 0.15 -1.26 -5.06 113.70 108.40 2qbc s SER 87 Ca -0.25 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 54.70 2qbc s SER 87 Cb 0.07 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2qbc s SER 87 CO 0.48 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2qbc n GLY 88 N -0.79 -1.29 0.00 9.45 0.00 -1.26 -5.00 105.19 106.30 2qbc n GLY 88 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2qbc n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbc n SER 89 N 0.00 0.94 0.00 1.61 3.41 -1.17 -4.82 113.62 113.58 2qbc n SER 89 Ca 0.00 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 2qbc n SER 89 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbc n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbc n GLY 90 N -0.01 1.26 2.62 5.00 0.00 -1.26 -4.43 105.19 108.37 2qbc n GLY 90 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2qbc n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbc n LYS 91 N 0.00 2.70 -1.26 1.61 4.01 -1.26 -5.09 118.16 118.86 2qbc n LYS 91 Ca 0.00 -4.62 -0.38 0.00 -0.51 0.00 0.00 58.31 52.80 2qbc n LYS 91 Cb 0.00 -2.31 0.04 0.00 -0.51 0.00 0.00 35.03 32.25 2qbc n LYS 91 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2qbc n PRO 92 N 1.17 0.18 0.00 1.97 -0.02 -1.26 -2.12 135.00 134.93 2qbc n PRO 92 Ca 0.27 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2qbc n PRO 92 Cb 0.39 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2qbc n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qbc n ASN 93 N 1.48 0.00 -0.04 2.55 5.03 -1.26 -4.56 115.26 118.46 2qbc n ASN 93 Ca 0.08 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.39 2qbc n ASN 93 Cb 0.49 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.14 2qbc n ASN 93 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2qbc h LYS 94 N 0.00 0.04 -4.23 3.52 3.64 -1.83 -3.44 116.57 114.27 2qbc h LYS 94 Ca 0.00 -0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.83 2qbc h LYS 94 Cb 0.00 0.01 -0.37 0.00 -0.41 0.00 0.00 32.23 31.46 2qbc h LYS 94 CO 0.00 0.75 -0.80 0.34 -2.27 0.00 0.00 179.45 177.47 2qbc s ASP 95 N -5.99 2.08 -0.07 4.20 2.15 -1.09 -5.12 116.67 112.83 2qbc s ASP 95 Ca -0.17 -0.29 -0.22 0.00 0.43 0.00 0.00 52.55 52.30 2qbc s ASP 95 Cb -0.00 -0.81 -0.04 0.00 -0.30 0.00 0.00 42.92 41.77 2qbc s ASP 95 CO 0.69 -0.11 0.65 -1.59 -0.17 0.00 0.00 175.17 174.64 2qbc s LYS 96 N 1.60 4.41 0.00 4.34 -2.85 -1.26 -4.64 119.74 121.34 2qbc s LYS 96 Ca 0.03 0.79 0.22 0.00 -1.00 0.00 0.00 55.97 56.00 2qbc s LYS 96 Cb -0.13 -3.43 -0.28 0.00 -2.06 0.00 0.00 37.83 31.93 2qbc s LYS 96 CO -0.07 0.12 0.60 1.33 0.10 0.00 0.00 175.35 177.43 2qbc n VAL 97 N 3.64 0.07 -3.83 1.79 0.24 -1.05 -5.03 118.33 114.16 2qbc n VAL 97 Ca -0.03 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.34 61.74 2qbc n VAL 97 Cb 0.51 0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.96 2qbc n VAL 97 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qbc s GLY 98 N -4.33 0.27 0.03 7.63 0.00 -1.26 -4.99 107.32 104.68 2qbc s GLY 98 Ca -0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 2qbc s GLY 98 CO 0.89 -0.27 -0.01 -1.59 0.00 0.00 0.00 173.10 172.12 2qbc s LYS 99 N -2.79 0.43 -0.02 2.90 0.00 -1.26 -1.87 119.74 117.13 2qbc s LYS 99 Ca 0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 55.97 55.30 2qbc s LYS 99 Cb -0.05 0.15 0.02 0.00 0.00 0.00 0.00 37.83 37.96 2qbc s LYS 99 CO 0.10 -0.08 0.04 0.42 0.00 0.00 0.00 175.35 175.84 2qbc s ILE 100 N -2.32 -0.04 0.50 3.79 1.01 0.99 -4.44 121.20 120.69 2qbc s ILE 100 Ca -0.08 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 2qbc s ILE 100 Cb -0.04 -0.09 -0.07 0.00 0.01 0.00 0.00 42.46 42.28 2qbc s ILE 100 CO -0.04 0.06 1.13 -0.94 0.00 0.00 0.00 174.94 175.15 2qbc s SER 101 N 0.75 5.98 0.58 3.58 1.04 -1.26 -2.43 113.70 121.93 2qbc s SER 101 Ca -0.06 2.19 0.28 0.00 0.48 0.00 0.00 55.95 58.84 2qbc s SER 101 Cb -0.09 -2.59 1.58 0.00 0.10 0.00 0.00 66.02 65.02 2qbc s SER 101 CO -0.02 -1.04 2.04 0.03 0.98 0.00 0.00 173.24 175.22 2qbc h ARG 102 N 1.58 0.00 -0.26 4.02 2.47 -1.73 -0.54 114.38 119.91 2qbc h ARG 102 Ca -0.50 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.13 2qbc h ARG 102 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2qbc h ARG 102 CO 0.58 0.00 -0.22 0.00 0.56 0.00 0.00 179.97 180.90 2qbc h ALA 103 N 1.68 0.37 -0.44 0.04 0.00 -1.89 -2.99 119.26 116.04 2qbc h ALA 103 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qbc h ALA 103 Cb 0.71 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2qbc h ALA 103 CO -0.00 0.32 0.28 1.96 0.00 0.00 0.00 179.25 181.82 2qbc h GLN 104 N 0.32 0.58 -0.94 0.00 4.20 -1.47 -2.23 115.11 115.57 2qbc h GLN 104 Ca 0.05 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.82 2qbc h GLN 104 Cb 0.76 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 2qbc h GLN 104 CO 0.06 0.40 0.60 -0.07 -0.67 0.00 0.00 178.83 179.15 2qbc h LEU 105 N 0.59 0.86 -0.99 1.46 3.38 -1.50 0.24 115.31 119.35 2qbc h LEU 105 Ca 0.16 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2qbc h LEU 105 Cb -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2qbc h LEU 105 CO -0.03 0.49 -0.01 1.56 0.09 0.00 0.00 178.44 180.54 2qbc h GLN 106 N 0.95 0.71 -0.34 1.13 4.20 -1.27 0.45 115.11 120.93 2qbc h GLN 106 Ca 0.45 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.85 2qbc h GLN 106 Cb 0.43 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2qbc h GLN 106 CO -0.21 0.73 -0.24 0.93 -0.67 0.00 0.00 178.83 179.38 2qbc h GLU 107 N 0.67 0.77 -0.23 1.46 5.08 -0.23 -0.31 114.58 121.78 2qbc h GLU 107 Ca 0.13 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 2qbc h GLU 107 Cb 0.43 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2qbc h GLU 107 CO 0.02 0.99 -0.39 0.82 -1.00 0.00 0.00 179.01 179.45 2qbc h ILE 108 N 0.55 1.30 0.00 3.13 2.04 -0.29 -1.52 117.51 122.72 2qbc h ILE 108 Ca 0.07 -1.54 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 2qbc h ILE 108 Cb 0.80 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 2qbc h ILE 108 CO 0.07 0.48 -0.41 0.00 0.00 0.00 0.00 178.15 178.29 2qbc h ALA 109 N 1.13 1.30 -0.00 1.87 0.00 0.06 -0.02 119.26 123.60 2qbc h ALA 109 Ca 0.04 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2qbc h ALA 109 Cb 0.88 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2qbc h ALA 109 CO 0.07 0.52 -0.76 0.37 0.00 0.00 0.00 179.25 179.45 2qbc h GLN 110 N 0.00 0.02 0.04 0.00 5.75 -0.57 0.55 115.11 120.91 2qbc h GLN 110 Ca -0.00 -0.02 -0.21 0.00 -0.15 0.00 0.00 58.65 58.26 2qbc h GLN 110 Cb 0.74 0.01 0.02 0.00 1.07 0.00 0.00 27.48 29.32 2qbc h GLN 110 CO 0.05 0.78 -0.86 1.15 -2.65 0.00 0.00 178.83 177.30 2qbc h THR 111 N 0.02 1.37 0.00 2.39 2.02 -0.69 -3.23 112.91 114.79 2qbc h THR 111 Ca -0.01 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.92 2qbc h THR 111 Cb 1.35 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 2qbc h THR 111 CO 0.10 0.67 -0.04 0.29 0.37 0.00 0.00 175.52 176.91 2qbc n LYS 112 N -4.04 0.22 -0.31 6.66 4.76 -0.07 -4.14 118.16 121.23 2qbc n LYS 112 Ca -0.12 0.17 0.17 0.00 -2.87 0.00 0.00 58.31 55.66 2qbc n LYS 112 Cb 0.80 -1.75 0.33 0.00 -1.84 0.00 0.00 35.03 32.57 2qbc n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbc n ALA 113 N -1.74 0.57 -0.34 7.82 0.00 0.18 0.09 120.51 127.08 2qbc n ALA 113 Ca 0.06 0.98 0.04 0.00 0.00 0.00 0.00 53.44 54.51 2qbc n ALA 113 Cb 0.42 -0.76 0.21 0.00 0.00 0.00 0.00 19.45 19.31 2qbc n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc h ALA 114 N 1.84 1.47 -0.01 0.00 0.00 -1.80 -2.53 119.26 118.22 2qbc h ALA 114 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2qbc h ALA 114 Cb 1.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qbc h ALA 114 CO -0.83 0.37 -0.64 -0.25 0.00 0.00 0.00 179.25 177.90 2qbc n ASP 115 N -4.51 1.21 -4.88 0.00 8.00 0.11 -4.94 116.55 111.54 2qbc n ASP 115 Ca 0.15 -1.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.33 2qbc n ASP 115 Cb 0.22 0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 41.84 2qbc n ASP 115 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2qbc s MET 116 N -2.77 3.72 0.00 -1.24 -1.94 -0.16 -4.99 119.30 111.92 2qbc s MET 116 Ca 0.14 0.10 0.26 0.00 -1.71 0.00 0.00 55.69 54.49 2qbc s MET 116 Cb 0.17 -2.83 0.78 0.00 2.01 0.00 0.00 34.83 34.97 2qbc s MET 116 CO 0.70 0.44 1.60 -2.37 -0.01 0.00 0.00 175.02 175.39 2qbc n THR 117 N 0.24 0.00 -1.55 2.05 5.66 -1.26 -4.88 114.28 114.54 2qbc n THR 117 Ca -0.03 -0.01 -0.61 0.00 -3.05 0.00 0.00 64.05 60.36 2qbc n THR 117 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.22 2qbc n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbc n GLY 118 N 1.48 -0.09 0.18 1.09 0.00 -1.26 -4.86 105.19 101.73 2qbc n GLY 118 Ca 0.07 0.83 -0.15 0.00 0.00 0.00 0.00 46.02 46.76 2qbc n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc h ALA 119 N 3.67 0.25 -1.95 4.61 0.00 -1.95 -3.46 119.26 120.43 2qbc h ALA 119 Ca -0.47 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.42 2qbc h ALA 119 Cb 1.36 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 2qbc h ALA 119 CO 0.75 0.41 -0.63 0.16 0.00 0.00 0.00 179.25 179.95 2qbc s ASP 120 N -6.68 2.97 0.36 0.00 1.47 -1.26 -5.04 116.67 108.49 2qbc s ASP 120 Ca -0.12 -1.30 0.05 0.00 1.18 0.00 0.00 52.55 52.35 2qbc s ASP 120 Cb 0.06 -0.21 0.72 0.00 -0.34 0.00 0.00 42.92 43.15 2qbc s ASP 120 CO 0.83 -0.46 1.99 0.16 0.68 0.00 0.00 175.17 178.37 2qbc h ILE 121 N 2.07 1.08 -0.23 2.11 -2.65 -2.00 -2.30 117.51 115.59 2qbc h ILE 121 Ca -0.41 -0.26 0.03 0.00 1.03 0.00 0.00 64.86 65.24 2qbc h ILE 121 Cb 1.24 0.24 -0.03 0.00 -2.05 0.00 0.00 36.82 36.22 2qbc h ILE 121 CO 0.72 0.14 0.06 -0.33 0.03 0.00 0.00 178.15 178.77 2qbc h GLU 122 N 0.77 0.15 0.10 0.16 3.07 -1.99 0.97 114.58 117.82 2qbc h GLU 122 Ca 0.27 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.12 2qbc h GLU 122 Cb 0.10 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2qbc h GLU 122 CO -0.08 0.10 -0.11 0.00 -1.40 0.00 0.00 179.01 177.52 2qbc h ALA 123 N 1.16 -0.21 -0.72 3.43 0.00 -1.83 -1.13 119.26 119.95 2qbc h ALA 123 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qbc h ALA 123 Cb 0.09 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2qbc h ALA 123 CO -0.13 -0.64 0.47 0.52 0.00 0.00 0.00 179.25 179.48 2qbc h MET 124 N -0.25 0.92 -0.58 0.00 2.86 -1.25 -0.04 114.93 116.60 2qbc h MET 124 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qbc h MET 124 Cb 0.24 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2qbc h MET 124 CO -0.04 0.61 0.38 1.15 1.06 0.00 0.00 176.91 180.07 2qbc h THR 125 N 0.95 1.16 -0.34 2.22 2.02 -0.55 -2.58 112.91 115.79 2qbc h THR 125 Ca 0.27 -0.30 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 2qbc h THR 125 Cb -0.07 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2qbc h THR 125 CO -0.07 0.15 -0.34 -0.09 0.37 0.00 0.00 175.52 175.54 2qbc h ARG 126 N 0.79 0.76 -0.95 6.66 2.43 -0.83 -1.94 114.38 121.30 2qbc h ARG 126 Ca 0.21 -0.36 0.16 0.00 -0.81 0.00 0.00 59.98 59.18 2qbc h ARG 126 Cb -0.07 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.39 2qbc h ARG 126 CO -0.04 0.98 0.60 0.77 -1.51 0.00 0.00 179.97 180.77 2qbc h SER 127 N 0.64 0.70 0.76 -3.80 0.02 -0.62 0.93 113.55 112.18 2qbc h SER 127 Ca 0.07 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.82 2qbc h SER 127 Cb 0.88 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2qbc h SER 127 CO 0.08 0.32 -1.18 0.40 -1.14 0.00 0.00 176.83 175.31 2qbc h ILE 128 N 0.72 1.55 -0.57 3.27 2.04 -1.29 -3.21 117.51 120.02 2qbc h ILE 128 Ca 0.50 -3.18 0.03 0.00 1.00 0.00 0.00 64.86 63.20 2qbc h ILE 128 Cb 0.81 2.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.74 2qbc h ILE 128 CO -0.26 0.91 0.38 -0.33 0.00 0.00 0.00 178.15 178.85 2qbc h GLU 129 N 0.04 0.65 0.00 2.37 5.08 -0.09 0.23 114.58 122.86 2qbc h GLU 129 Ca -0.10 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2qbc h GLU 129 Cb 1.90 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 2qbc h GLU 129 CO 0.17 0.43 -0.30 0.78 -1.00 0.00 0.00 179.01 179.09 2qbc h GLY 130 N 0.67 0.00 1.60 -3.84 0.00 -1.10 -0.54 103.07 99.86 2qbc h GLY 130 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.30 2qbc h GLY 130 CO -0.06 0.00 -1.12 -0.91 0.00 0.00 0.00 176.54 174.45 2qbc h THR 131 N 0.00 1.46 -0.19 4.70 1.35 -0.71 -3.03 112.91 116.48 2qbc h THR 131 Ca -0.00 -2.80 -0.04 0.00 -0.55 0.00 0.00 66.41 63.01 2qbc h THR 131 Cb 0.65 2.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 2qbc h THR 131 CO 0.04 0.82 -0.04 0.00 -0.25 0.00 0.00 175.52 176.09 2qbc h ALA 132 N 0.65 0.26 0.00 6.62 0.00 -0.34 -2.14 119.26 124.32 2qbc h ALA 132 Ca -0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qbc h ALA 132 Cb 1.80 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 2qbc h ALA 132 CO 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.45 2qbc h ARG 133 N 0.09 0.00 0.00 0.00 3.08 -1.19 0.14 114.38 116.50 2qbc h ARG 133 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qbc h ARG 133 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2qbc h ARG 133 CO 0.02 0.02 -0.52 0.43 -1.07 0.00 0.00 179.97 178.85 2qbc n SER 134 N -3.26 0.66 -0.54 7.04 7.64 -0.96 -3.54 113.62 120.65 2qbc n SER 134 Ca -0.02 0.14 0.10 0.00 1.01 0.00 0.00 58.87 60.10 2qbc n SER 134 Cb 0.14 0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 2qbc n SER 134 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2qbc n MET 135 N -2.03 1.46 -1.54 1.43 2.81 0.35 -4.71 117.12 114.88 2qbc n MET 135 Ca 0.04 -1.11 -0.02 0.00 -1.81 0.00 0.00 57.70 54.80 2qbc n MET 135 Cb 0.42 -1.43 -0.00 0.00 -0.71 0.00 0.00 33.22 31.50 2qbc n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbc n GLY 136 N 1.34 0.41 3.39 3.03 0.00 -0.65 -3.07 105.19 109.64 2qbc n GLY 136 Ca 0.09 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2qbc n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbc s LEU 137 N -0.46 4.45 0.62 0.99 1.43 -0.38 -2.53 118.68 122.80 2qbc s LEU 137 Ca 0.00 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 2qbc s LEU 137 Cb 0.00 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2qbc s LEU 137 CO 0.00 -0.31 1.04 -0.69 0.23 0.00 0.00 176.35 176.62 2qbc s VAL 138 N 1.57 4.12 -0.15 -1.59 1.01 -0.78 -4.08 120.40 120.49 2qbc s VAL 138 Ca 0.03 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 2qbc s VAL 138 Cb -0.18 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2qbc s VAL 138 CO 0.06 -0.74 -0.06 -0.69 0.00 0.00 0.00 175.10 173.68 2qbc s VAL 139 N -2.77 1.08 -0.25 2.92 1.01 -1.26 -0.01 120.40 121.12 2qbc s VAL 139 Ca 0.60 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2qbc s VAL 139 Cb -0.14 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qbc s VAL 139 CO 0.44 0.18 0.13 -1.83 0.00 0.00 0.00 175.10 174.03 2qbc s GLU 140 N 1.66 3.90 0.00 2.72 1.03 -1.02 -4.86 118.70 122.13 2qbc s GLU 140 Ca 0.02 -0.35 0.28 0.00 0.03 0.00 0.00 54.97 54.94 2qbc s GLU 140 Cb -0.15 -3.47 1.67 0.00 -0.80 0.00 0.00 34.13 31.39 2qbc s GLU 140 CO -0.08 -0.05 2.02 -3.47 -1.33 0.00 0.00 175.26 172.34