#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao s LYS 2 N 0.00 0.63 -0.31 0.00 0.00 -1.26 -5.13 119.74 113.67 2qao s LYS 2 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 55.97 57.33 2qao s LYS 2 Cb 0.00 0.51 0.18 0.00 0.00 0.00 0.00 37.83 38.51 2qao s LYS 2 CO 0.00 -0.17 0.50 0.15 0.00 0.00 0.00 175.35 175.83 2qao s LYS 3 N 2.26 0.53 0.05 1.78 3.01 -1.26 -5.16 119.74 120.95 2qao s LYS 3 Ca -0.08 0.20 -0.03 0.00 -1.01 0.00 0.00 55.97 55.06 2qao s LYS 3 Cb -0.08 -0.06 -0.03 0.00 -1.01 0.00 0.00 37.83 36.65 2qao s LYS 3 CO -0.19 -1.07 0.02 0.54 0.51 0.00 0.00 175.35 175.16 2qao s VAL 4 N 2.53 0.17 1.01 3.17 0.11 -1.26 -5.17 120.40 120.97 2qao s VAL 4 Ca 0.11 -1.43 -0.27 0.00 -2.93 0.00 0.00 61.98 57.46 2qao s VAL 4 Cb -0.11 -1.15 -0.16 0.00 -1.53 0.00 0.00 36.38 33.43 2qao s VAL 4 CO -0.25 -0.79 -1.39 0.00 -3.33 0.00 0.00 175.10 169.34 2qao n GLN 5 N 0.49 -0.19 0.00 1.54 10.64 -1.26 -4.92 117.38 123.68 2qao n GLN 5 Ca -0.17 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 54.95 2qao n GLN 5 Cb 0.60 -1.08 0.00 0.00 -0.86 0.00 0.00 30.24 28.90 2qao n GLN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qao n ALA 6 N -3.61 -1.34 -2.99 2.61 0.00 -1.26 -5.01 120.51 108.92 2qao n ALA 6 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2qao n ALA 6 Cb 0.74 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.85 2qao n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qao n TYR 7 N -0.04 -3.31 -2.93 0.00 4.19 -1.26 -4.99 117.16 108.82 2qao n TYR 7 Ca 0.00 1.35 -0.25 0.00 3.31 0.00 0.00 57.90 62.31 2qao n TYR 7 Cb 0.00 -3.56 0.00 0.00 0.49 0.00 0.00 39.34 36.27 2qao n TYR 7 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2qao s VAL 8 N -2.30 4.68 -0.00 2.97 -7.23 0.10 -4.94 120.40 113.69 2qao s VAL 8 Ca 0.26 -0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2qao s VAL 8 Cb -0.06 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 2qao s VAL 8 CO 0.78 -0.62 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.36 2qao s LYS 9 N -4.59 0.44 -0.06 4.82 1.02 -1.26 -0.69 119.74 119.43 2qao s LYS 9 Ca 0.46 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.91 2qao s LYS 9 Cb -0.10 -0.41 0.08 0.00 -0.52 0.00 0.00 37.83 36.88 2qao s LYS 9 CO 0.41 0.11 0.73 -0.48 -0.92 0.00 0.00 175.35 175.20 2qao s LEU 10 N -0.24 -0.60 -0.48 3.17 0.05 -0.67 -5.00 118.68 114.91 2qao s LEU 10 Ca 0.01 0.62 -0.09 0.00 0.05 0.00 0.00 54.13 54.72 2qao s LEU 10 Cb -0.03 2.42 0.12 0.00 -2.05 0.00 0.00 46.19 46.66 2qao s LEU 10 CO -0.00 -0.59 0.35 -1.10 -0.55 0.00 0.00 176.35 174.47 2qao s GLN 11 N -1.35 2.48 0.08 1.48 -0.21 -1.26 -0.44 119.66 120.44 2qao s GLN 11 Ca -0.09 -1.82 0.06 0.00 0.02 0.00 0.00 55.36 53.53 2qao s GLN 11 Cb -0.00 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 2qao s GLN 11 CO 0.07 -1.19 -0.06 0.54 -2.12 0.00 0.00 175.29 172.53 2qao s VAL 12 N 1.27 3.63 1.02 1.09 0.11 -1.21 -4.91 120.40 121.39 2qao s VAL 12 Ca 0.07 -1.09 -0.16 0.00 -2.93 0.00 0.00 61.98 57.87 2qao s VAL 12 Cb -0.25 -2.69 0.04 0.00 -1.53 0.00 0.00 36.38 31.94 2qao s VAL 12 CO -0.01 0.16 0.08 0.00 -3.33 0.00 0.00 175.10 172.00 2qao n ALA 13 N 0.80 -3.53 -0.81 1.54 0.00 -1.26 -2.77 120.51 114.47 2qao n ALA 13 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2qao n ALA 13 Cb 0.52 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2qao n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qao n ALA 14 N -3.81 -0.09 -3.10 0.00 0.00 -1.20 -4.22 120.51 108.09 2qao n ALA 14 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2qao n ALA 14 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qao n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qao n GLY 15 N -0.60 4.98 3.65 0.00 0.00 -1.26 -4.56 105.19 107.40 2qao n GLY 15 Ca 0.00 -2.66 -0.02 0.00 0.00 0.00 0.00 46.02 43.34 2qao n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qao s MET 16 N -2.50 0.14 0.04 1.61 -2.45 -1.26 -5.03 119.30 109.84 2qao s MET 16 Ca 0.31 0.20 -0.29 0.00 -1.25 0.00 0.00 55.69 54.66 2qao s MET 16 Cb 0.03 0.05 0.10 0.00 1.25 0.00 0.00 34.83 36.26 2qao s MET 16 CO 0.06 -0.02 1.17 0.00 1.05 0.00 0.00 175.02 177.28 2qao s ALA 17 N 0.53 -2.03 0.00 4.11 0.00 -1.26 -4.39 121.76 118.72 2qao s ALA 17 Ca -0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2qao s ALA 17 Cb -0.04 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.52 2qao s ALA 17 CO -0.13 -1.03 0.00 -1.71 0.00 0.00 0.00 175.76 172.89 2qao n ASN 18 N -0.47 0.00 -4.56 0.00 2.85 -1.26 -4.99 115.26 106.83 2qao n ASN 18 Ca -0.07 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.97 2qao n ASN 18 Cb 0.62 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.64 2qao n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qao n PRO 19 N -0.46 1.15 0.33 1.20 -0.02 -1.26 -4.31 135.00 131.64 2qao n PRO 19 Ca 0.00 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 2qao n PRO 19 Cb 0.00 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 2qao n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qao h SER 20 N 1.54 -0.73 0.12 2.55 0.87 -1.97 -0.74 113.55 115.19 2qao h SER 20 Ca -0.41 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2qao h SER 20 Cb 1.35 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 2qao h SER 20 CO 0.57 -0.38 -0.32 -0.65 -0.53 0.00 0.00 176.83 175.52 2qao h PRO 21 N -1.11 -0.53 0.46 2.24 0.11 -1.99 -3.18 132.00 128.00 2qao h PRO 21 Ca -0.09 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2qao h PRO 21 Cb 0.70 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2qao h PRO 21 CO 0.14 -0.35 -0.22 -1.35 -0.21 0.00 0.00 178.00 176.01 2qao h PRO 22 N -0.55 -0.59 0.00 1.05 0.11 -1.96 -3.46 132.00 126.60 2qao h PRO 22 Ca 0.03 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2qao h PRO 22 Cb 0.58 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2qao h PRO 22 CO -0.19 -0.33 0.00 0.28 -0.21 0.00 0.00 178.00 177.55 2qao n VAL 23 N -5.30 0.00 0.00 3.15 0.31 -0.32 -4.80 118.33 111.36 2qao n VAL 23 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2qao n VAL 23 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2qao n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qao n GLY 24 N 5.00 1.87 0.47 2.92 0.00 -0.97 -1.62 105.19 112.87 2qao n GLY 24 Ca 0.00 0.54 0.36 0.00 0.00 0.00 0.00 46.02 46.92 2qao n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qao h PRO 25 N 0.00 0.12 -0.02 1.61 0.11 -1.87 0.20 132.00 132.14 2qao h PRO 25 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qao h PRO 25 Cb 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2qao h PRO 25 CO 0.00 0.08 -0.02 0.00 -0.21 0.00 0.00 178.00 177.84 2qao h ALA 26 N 1.57 -0.22 0.00 -0.75 0.00 -1.55 -2.60 119.26 115.71 2qao h ALA 26 Ca 0.79 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.70 2qao h ALA 26 Cb 2.47 0.81 0.00 0.00 0.00 0.00 0.00 17.79 21.07 2qao h ALA 26 CO -0.37 -0.24 -0.74 1.47 0.00 0.00 0.00 179.25 179.37 2qao n LEU 27 N -2.90 0.66 0.02 0.00 -0.00 -1.07 -4.04 117.00 109.68 2qao n LEU 27 Ca -0.00 0.15 0.13 0.00 -0.00 0.00 0.00 56.01 56.28 2qao n LEU 27 Cb 0.01 -0.16 0.58 0.00 -0.00 0.00 0.00 43.42 43.85 2qao n LEU 27 CO -0.00 -0.02 1.16 1.23 -0.00 0.00 0.00 177.39 179.76 2qao h GLY 28 N 4.54 0.29 0.96 1.47 0.00 -0.30 -1.38 103.07 108.65 2qao h GLY 28 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2qao h GLY 28 CO 0.00 0.06 0.19 1.46 0.00 0.00 0.00 176.54 178.25 2qao h GLN 29 N 0.22 0.51 -0.20 4.80 4.20 -1.61 -2.26 115.11 120.78 2qao h GLN 29 Ca 0.20 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.90 2qao h GLN 29 Cb 0.49 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2qao h GLN 29 CO -0.04 0.44 0.16 1.96 -0.67 0.00 0.00 178.83 180.69 2qao h GLN 30 N 0.45 0.00 0.00 1.46 1.08 -1.50 -3.45 115.11 113.16 2qao h GLN 30 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2qao h GLN 30 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2qao h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qao n GLY 31 N -1.51 1.59 3.81 3.46 0.00 -0.85 -5.01 105.19 106.68 2qao n GLY 31 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2qao n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qao s VAL 32 N -2.00 4.03 -0.74 1.61 1.01 -1.16 -4.83 120.40 118.32 2qao s VAL 32 Ca 0.00 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.86 2qao s VAL 32 Cb 0.00 -3.50 0.12 0.00 0.00 0.00 0.00 36.38 33.00 2qao s VAL 32 CO 0.00 -0.46 0.89 0.20 0.00 0.00 0.00 175.10 175.73 2qao s ASN 33 N -2.57 6.39 0.05 3.32 0.02 -1.26 -4.68 114.94 116.22 2qao s ASN 33 Ca 0.63 -1.70 -0.11 0.00 -1.02 0.00 0.00 52.86 50.66 2qao s ASN 33 Cb -0.14 -2.34 -0.03 0.00 0.02 0.00 0.00 41.25 38.76 2qao s ASN 33 CO 0.29 -1.09 1.19 0.40 0.02 0.00 0.00 177.10 177.91 2qao h ILE 34 N 5.76 0.00 -0.56 0.60 1.08 -1.94 -2.35 117.51 120.10 2qao h ILE 34 Ca -0.11 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2qao h ILE 34 Cb 1.06 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.71 2qao h ILE 34 CO 1.08 0.00 -0.46 -0.03 -0.69 0.00 0.00 178.15 178.05 2qao h MET 35 N -0.04 -0.24 -0.35 2.37 4.05 -1.97 -0.34 114.93 118.41 2qao h MET 35 Ca 0.05 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.56 2qao h MET 35 Cb 0.16 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 30.94 2qao h MET 35 CO -0.31 -0.16 -0.24 1.49 0.23 0.00 0.00 176.91 177.93 2qao h GLU 36 N -0.25 -0.18 -0.45 0.39 4.81 -1.91 -2.06 114.58 114.93 2qao h GLU 36 Ca 0.16 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2qao h GLU 36 Cb 0.56 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2qao h GLU 36 CO -0.68 -0.12 0.26 0.35 -0.73 0.00 0.00 179.01 178.09 2qao h PHE 37 N -0.19 0.60 -0.37 0.92 3.57 -0.89 0.16 116.94 120.74 2qao h PHE 37 Ca 0.17 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 2qao h PHE 37 Cb 0.46 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 2qao h PHE 37 CO -0.44 0.44 -0.41 0.00 -2.23 0.00 0.00 178.31 175.67 2qao h LYS 39 N -0.33 0.79 0.05 0.00 1.79 -1.36 -2.72 116.57 114.78 2qao h LYS 39 Ca 0.14 -0.48 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2qao h LYS 39 Cb 0.58 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2qao h LYS 39 CO -0.54 1.11 -0.06 0.00 -1.08 0.00 0.00 179.45 178.88 2qao h ALA 40 N 0.67 -0.10 0.35 3.86 0.00 0.02 -1.13 119.26 122.93 2qao h ALA 40 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qao h ALA 40 Cb 1.05 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qao h ALA 40 CO 0.10 -0.57 -0.18 0.35 0.00 0.00 0.00 179.25 178.95 2qao h PHE 41 N -0.13 -0.47 0.00 0.00 3.57 0.77 -2.67 116.94 118.02 2qao h PHE 41 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2qao h PHE 41 Cb 0.13 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2qao h PHE 41 CO -0.11 -0.28 0.30 -0.91 -2.23 0.00 0.00 178.31 175.08 2qao h ASN 42 N -0.48 0.00 0.41 0.41 2.35 -1.53 -1.52 115.58 115.22 2qao h ASN 42 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2qao h ASN 42 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2qao h ASN 42 CO 0.07 0.00 -0.20 0.00 -1.65 0.00 0.00 177.43 175.65 2qao h ALA 43 N 1.27 -0.55 0.00 -0.83 0.00 -0.83 -3.08 119.26 115.24 2qao h ALA 43 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2qao h ALA 43 Cb 0.60 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2qao h ALA 43 CO 0.00 -0.67 -0.51 0.87 0.00 0.00 0.00 179.25 178.94 2qao h LYS 44 N -0.82 0.00 0.00 0.00 1.57 -1.33 -3.16 116.57 112.84 2qao h LYS 44 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qao h LYS 44 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2qao h LYS 44 CO 0.09 0.51 0.00 1.79 -0.57 0.00 0.00 179.45 181.27 2qao h THR 45 N 0.00 0.00 -0.21 -0.16 1.35 -1.33 -1.79 112.91 110.77 2qao h THR 45 Ca -0.01 -0.09 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 2qao h THR 45 Cb 1.29 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2qao h THR 45 CO 0.07 0.00 -0.01 0.44 -0.25 0.00 0.00 175.52 175.77 2qao h ASP 46 N 0.00 0.37 -0.25 5.36 3.32 -1.49 -3.08 116.42 120.64 2qao h ASP 46 Ca 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 2qao h ASP 46 Cb 0.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qao h ASP 46 CO 0.00 0.59 -0.02 0.28 -1.72 0.00 0.00 179.24 178.38 2qao h SER 47 N 0.13 0.46 -4.26 6.45 0.02 -1.54 -3.43 113.55 111.38 2qao h SER 47 Ca 0.06 -0.33 -0.51 0.00 -0.84 0.00 0.00 61.79 60.17 2qao h SER 47 Cb 0.41 -0.12 0.13 0.00 0.14 0.00 0.00 62.40 62.96 2qao h SER 47 CO 0.01 0.67 0.34 -0.51 -1.14 0.00 0.00 176.83 176.20 2qao s ILE 48 N -4.92 3.08 -0.41 3.27 2.07 -1.01 -4.83 121.20 118.46 2qao s ILE 48 Ca -0.14 0.42 -0.42 0.00 -1.41 0.00 0.00 60.65 59.10 2qao s ILE 48 Cb 0.07 -2.88 -0.17 0.00 0.13 0.00 0.00 42.46 39.62 2qao s ILE 48 CO 0.75 -0.39 1.86 -0.62 -1.91 0.00 0.00 174.94 174.63 2qao n GLU 49 N -3.13 0.54 -2.85 3.50 -0.58 -1.26 -4.85 120.64 112.01 2qao n GLU 49 Ca 0.10 0.18 -0.39 0.00 -0.42 0.00 0.00 57.16 56.64 2qao n GLU 49 Cb 0.52 -1.84 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 2qao n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2qao s LYS 50 N 4.38 4.65 0.00 3.49 1.02 -1.26 -3.49 119.74 128.53 2qao s LYS 50 Ca 1.07 1.30 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2qao s LYS 50 Cb -1.26 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 32.95 2qao s LYS 50 CO 0.68 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.97 2qao n GLY 51 N 1.16 1.14 3.45 -3.33 0.00 -1.26 -5.02 105.19 101.33 2qao n GLY 51 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qao n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qao s LEU 52 N 0.00 3.29 -0.25 0.99 1.43 -1.23 -4.86 118.68 118.06 2qao s LEU 52 Ca 0.00 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 2qao s LEU 52 Cb 0.00 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2qao s LEU 52 CO 0.00 0.05 1.96 -2.16 0.23 0.00 0.00 176.35 176.43 2qao s PRO 53 N 1.07 3.36 -0.18 1.29 0.04 -1.26 -3.20 135.00 136.11 2qao s PRO 53 Ca 0.02 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 2qao s PRO 53 Cb -0.14 -4.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 2qao s PRO 53 CO 0.02 -1.84 -0.07 -1.50 0.04 0.00 0.00 177.00 173.65 2qao s ILE 54 N 7.11 3.31 -0.13 0.56 -1.16 -1.12 -4.21 121.20 125.56 2qao s ILE 54 Ca 0.88 -0.54 -0.29 0.00 -0.51 0.00 0.00 60.65 60.19 2qao s ILE 54 Cb -0.28 -2.46 -0.02 0.00 0.61 0.00 0.00 42.46 40.31 2qao s ILE 54 CO 0.34 0.47 1.20 -2.16 -2.81 0.00 0.00 174.94 171.98 2qao s PRO 55 N 0.99 4.29 0.01 3.50 0.04 -1.26 -3.30 135.00 139.27 2qao s PRO 55 Ca -0.00 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.71 2qao s PRO 55 Cb -0.15 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 2qao s PRO 55 CO -0.00 -0.58 -0.17 0.54 0.04 0.00 0.00 177.00 176.82 2qao s VAL 56 N 2.93 2.85 -0.29 -0.36 0.11 0.42 -3.51 120.40 122.55 2qao s VAL 56 Ca 0.53 -1.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2qao s VAL 56 Cb -0.22 -2.17 0.03 0.00 -1.53 0.00 0.00 36.38 32.50 2qao s VAL 56 CO 0.16 0.43 0.02 -0.69 -3.33 0.00 0.00 175.10 171.69 2qao s VAL 57 N -0.85 3.30 -0.09 2.04 1.01 -1.22 -1.67 120.40 122.92 2qao s VAL 57 Ca 0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 2qao s VAL 57 Cb -0.11 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2qao s VAL 57 CO 0.04 0.00 0.36 -0.63 0.00 0.00 0.00 175.10 174.87 2qao s ILE 58 N 1.35 5.19 -0.21 2.22 1.01 0.14 -2.98 121.20 127.92 2qao s ILE 58 Ca -0.02 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.36 2qao s ILE 58 Cb -0.18 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.65 2qao s ILE 58 CO -0.01 0.47 -0.12 0.28 0.00 0.00 0.00 174.94 175.57 2qao s THR 59 N -0.23 1.81 0.15 2.92 -1.32 -0.22 0.01 115.64 118.75 2qao s THR 59 Ca 0.21 -1.11 -0.08 0.00 -1.21 0.00 0.00 61.69 59.50 2qao s THR 59 Cb -0.15 -1.84 -0.06 0.00 -1.51 0.00 0.00 72.50 68.94 2qao s THR 59 CO 0.09 0.19 0.44 -0.69 -2.21 0.00 0.00 174.62 172.44 2qao s VAL 60 N 1.32 5.07 0.54 5.08 1.01 -1.26 -2.41 120.40 129.76 2qao s VAL 60 Ca -0.02 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.32 2qao s VAL 60 Cb -0.16 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2qao s VAL 60 CO -0.08 0.09 0.40 -0.31 0.00 0.00 0.00 175.10 175.20 2qao s TYR 61 N -1.62 1.63 0.50 5.22 2.02 -0.73 -4.67 117.35 119.70 2qao s TYR 61 Ca 0.40 -0.84 0.21 0.00 -0.37 0.00 0.00 57.07 56.47 2qao s TYR 61 Cb -0.12 -1.92 1.35 0.00 -0.40 0.00 0.00 41.96 40.87 2qao s TYR 61 CO 0.22 -0.48 2.11 0.00 -1.57 0.00 0.00 175.55 175.83 2qao h ALA 62 N 0.75 1.67 0.00 3.71 0.00 -1.99 0.34 119.26 123.74 2qao h ALA 62 Ca -0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qao h ALA 62 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qao h ALA 62 CO 0.57 0.10 0.00 -3.47 0.00 0.00 0.00 179.25 176.45 2qao n ASP 63 N -4.15 0.05 0.00 0.00 -0.08 -1.26 -4.79 116.55 106.31 2qao n ASP 63 Ca -0.03 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 2qao n ASP 63 Cb 0.16 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2qao n ASP 63 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2qao n ARG 64 N -1.55 0.00 -1.38 -0.67 1.74 0.12 -4.98 116.66 109.94 2qao n ARG 64 Ca 0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 2qao n ARG 64 Cb 0.12 -2.35 0.24 0.00 -1.02 0.00 0.00 32.46 29.44 2qao n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qao s SER 65 N -3.29 1.32 0.06 0.55 0.15 -1.26 -4.57 113.70 106.66 2qao s SER 65 Ca 0.00 0.36 -0.27 0.00 0.70 0.00 0.00 55.95 56.74 2qao s SER 65 Cb 0.00 -0.41 0.09 0.00 -1.71 0.00 0.00 66.02 63.98 2qao s SER 65 CO 0.00 -3.85 0.84 0.72 1.20 0.00 0.00 173.24 172.15 2qao s PHE 66 N -3.36 -0.34 0.10 3.44 -0.71 -1.26 -1.78 117.98 114.06 2qao s PHE 66 Ca 0.74 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.81 2qao s PHE 66 Cb -0.05 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2qao s PHE 66 CO 0.55 -0.66 -0.07 0.95 -1.34 0.00 0.00 175.22 174.65 2qao s THR 67 N -3.28 0.72 -0.08 -4.49 -4.23 -1.01 -4.98 115.64 98.30 2qao s THR 67 Ca 0.06 -1.88 -0.13 0.00 -1.18 0.00 0.00 61.69 58.55 2qao s THR 67 Cb -0.01 -1.61 0.03 0.00 1.34 0.00 0.00 72.50 72.24 2qao s THR 67 CO -0.07 -0.82 0.33 0.72 -0.54 0.00 0.00 174.62 174.23 2qao s PHE 68 N -3.42 -0.30 -0.27 3.99 -0.71 -1.26 -1.06 117.98 114.95 2qao s PHE 68 Ca 0.11 0.64 -0.05 0.00 -1.04 0.00 0.00 56.93 56.59 2qao s PHE 68 Cb 0.04 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2qao s PHE 68 CO -0.04 -0.28 0.03 0.14 -1.34 0.00 0.00 175.22 173.73 2qao s VAL 69 N -0.49 3.64 -0.34 -2.49 -7.23 -1.16 -4.96 120.40 107.38 2qao s VAL 69 Ca -0.06 -0.70 -0.25 0.00 -1.81 0.00 0.00 61.98 59.17 2qao s VAL 69 Cb -0.04 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.09 2qao s VAL 69 CO 0.02 0.18 0.85 0.28 -0.31 0.00 0.00 175.10 176.13 2qao s THR 70 N 1.46 4.70 0.00 5.32 -1.32 -1.26 -3.44 115.64 121.10 2qao s THR 70 Ca 0.03 1.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.68 2qao s THR 70 Cb -0.16 -4.24 0.00 0.00 -1.51 0.00 0.00 72.50 66.59 2qao s THR 70 CO -0.00 -0.39 0.00 0.29 -2.21 0.00 0.00 174.62 172.31 2qao n LYS 71 N 6.47 3.75 -4.09 7.08 5.02 -1.23 -5.08 118.16 130.07 2qao n LYS 71 Ca 0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 2qao n LYS 71 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 2qao n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2qao s THR 72 N 2.37 4.66 0.59 -0.18 -1.32 -1.26 -4.82 115.64 115.67 2qao s THR 72 Ca 0.00 -0.52 -0.19 0.00 -1.21 0.00 0.00 61.69 59.77 2qao s THR 72 Cb 0.00 -3.16 -0.05 0.00 -1.51 0.00 0.00 72.50 67.78 2qao s THR 72 CO 0.00 0.29 0.98 -0.81 -2.21 0.00 0.00 174.62 172.87 2qao n PRO 73 N 0.98 0.95 -1.48 7.08 -0.04 -1.26 -4.54 135.00 136.69 2qao n PRO 73 Ca -0.12 0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 63.32 2qao n PRO 73 Cb 0.52 -2.18 0.03 0.00 -0.04 0.00 0.00 33.50 31.83 2qao n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2qao n PRO 74 N -0.95 0.61 -0.15 0.54 -0.02 -1.26 -4.75 135.00 129.02 2qao n PRO 74 Ca 0.13 0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.80 2qao n PRO 74 Cb 0.47 -1.69 0.14 0.00 -0.02 0.00 0.00 33.50 32.40 2qao n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qao h ALA 75 N 0.51 1.10 -0.31 3.55 0.00 -1.98 -1.24 119.26 120.90 2qao h ALA 75 Ca -0.44 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.26 2qao h ALA 75 Cb 1.39 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2qao h ALA 75 CO 0.49 0.59 0.12 0.00 0.00 0.00 0.00 179.25 180.45 2qao h ALA 76 N 1.25 0.36 -0.04 0.00 0.00 -1.93 0.13 119.26 119.04 2qao h ALA 76 Ca 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qao h ALA 76 Cb 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qao h ALA 76 CO 0.01 -0.27 0.02 0.28 0.00 0.00 0.00 179.25 179.28 2qao h VAL 77 N 0.27 1.11 -0.88 0.00 2.07 -1.84 -1.77 116.25 115.21 2qao h VAL 77 Ca 0.14 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.43 2qao h VAL 77 Cb 0.09 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2qao h VAL 77 CO -0.13 0.09 0.57 -0.07 0.02 0.00 0.00 177.57 178.05 2qao h LEU 78 N -0.07 0.75 -0.71 2.57 3.38 -0.87 -0.39 115.31 119.97 2qao h LEU 78 Ca 0.01 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2qao h LEU 78 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2qao h LEU 78 CO -0.00 0.43 -0.34 -0.07 0.09 0.00 0.00 178.44 178.55 2qao h LEU 79 N 0.82 0.64 -0.57 1.67 3.38 -0.44 -1.69 115.31 119.11 2qao h LEU 79 Ca 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2qao h LEU 79 Cb 0.49 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qao h LEU 79 CO -0.18 0.93 0.32 0.11 0.09 0.00 0.00 178.44 179.70 2qao h LYS 80 N 0.52 0.79 0.32 1.13 1.57 -0.20 0.14 116.57 120.85 2qao h LYS 80 Ca 0.06 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2qao h LYS 80 Cb 0.83 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2qao h LYS 80 CO 0.07 0.60 -0.16 0.87 -0.57 0.00 0.00 179.45 180.27 2qao h LYS 81 N 0.77 -0.42 -0.68 3.15 1.57 -1.23 0.41 116.57 120.14 2qao h LYS 81 Ca 0.20 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 2qao h LYS 81 Cb 0.04 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 2qao h LYS 81 CO -0.03 -0.15 0.27 0.00 -0.57 0.00 0.00 179.45 178.97 2qao h ALA 82 N -0.07 0.91 0.00 3.86 0.00 -1.18 0.30 119.26 123.08 2qao h ALA 82 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qao h ALA 82 Cb 0.47 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qao h ALA 82 CO 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2qao h ALA 83 N 1.47 1.00 -0.21 0.00 0.00 -0.62 -3.47 119.26 117.44 2qao h ALA 83 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 2qao h ALA 83 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2qao h ALA 83 CO -0.34 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.24 2qao n GLY 84 N 0.56 0.71 4.00 0.00 0.00 0.11 -4.70 105.19 105.88 2qao n GLY 84 Ca 0.03 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 2qao n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qao s ILE 85 N -2.14 3.24 -0.22 -0.61 -4.36 0.47 -4.98 121.20 112.59 2qao s ILE 85 Ca 0.00 -0.97 0.04 0.00 -0.26 0.00 0.00 60.65 59.45 2qao s ILE 85 Cb 0.00 -3.10 -0.16 0.00 1.25 0.00 0.00 42.46 40.45 2qao s ILE 85 CO 0.00 -0.04 -0.17 0.29 0.24 0.00 0.00 174.94 175.26 2qao n LYS 86 N -1.83 0.64 -4.39 0.37 5.02 -1.26 -4.43 118.16 112.28 2qao n LYS 86 Ca 0.06 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 2qao n LYS 86 Cb 0.59 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 34.05 2qao n LYS 86 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qao s SER 87 N -6.09 2.09 0.00 4.39 0.15 -1.26 -5.06 113.70 107.91 2qao s SER 87 Ca -0.28 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.70 2qao s SER 87 Cb 0.08 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2qao s SER 87 CO 0.56 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2qao n GLY 88 N -0.73 -0.99 0.08 9.45 0.00 -1.26 -5.00 105.19 106.73 2qao n GLY 88 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 46.02 44.82 2qao n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qao n SER 89 N 0.00 0.97 0.00 1.61 3.41 -1.14 -4.81 113.62 113.66 2qao n SER 89 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2qao n SER 89 Cb 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2qao n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qao n GLY 90 N 0.34 1.56 2.54 5.00 0.00 -1.26 -4.46 105.19 108.91 2qao n GLY 90 Ca 0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2qao n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qao n LYS 91 N 0.00 2.64 -1.32 1.61 4.01 -1.26 -5.09 118.16 118.75 2qao n LYS 91 Ca 0.00 -4.64 -0.38 0.00 -0.51 0.00 0.00 58.31 52.77 2qao n LYS 91 Cb 0.00 -2.29 0.02 0.00 -0.51 0.00 0.00 35.03 32.25 2qao n LYS 91 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2qao n PRO 92 N 1.05 0.19 0.00 1.97 -0.02 -1.26 -1.94 135.00 134.98 2qao n PRO 92 Ca 0.28 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2qao n PRO 92 Cb 0.40 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 2qao n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qao n ASN 93 N 1.71 0.00 -0.04 2.55 5.03 -1.26 -4.58 115.26 118.68 2qao n ASN 93 Ca 0.09 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.40 2qao n ASN 93 Cb 0.48 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.12 2qao n ASN 93 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2qao h LYS 94 N 0.00 0.08 -4.22 3.52 3.64 -1.79 -3.44 116.57 114.36 2qao h LYS 94 Ca 0.00 -0.08 -0.52 0.00 -1.27 0.00 0.00 60.65 58.79 2qao h LYS 94 Cb 0.00 0.02 -0.37 0.00 -0.41 0.00 0.00 32.23 31.47 2qao h LYS 94 CO 0.00 0.81 -0.80 0.34 -2.27 0.00 0.00 179.45 177.53 2qao s ASP 95 N -6.09 2.07 -0.08 4.20 2.15 -1.08 -5.12 116.67 112.71 2qao s ASP 95 Ca -0.17 -0.28 -0.22 0.00 0.43 0.00 0.00 52.55 52.31 2qao s ASP 95 Cb 0.00 -0.80 -0.04 0.00 -0.30 0.00 0.00 42.92 41.78 2qao s ASP 95 CO 0.71 -0.11 0.66 -1.59 -0.17 0.00 0.00 175.17 174.66 2qao s LYS 96 N 1.60 4.41 0.03 4.34 -2.85 -1.26 -4.64 119.74 121.38 2qao s LYS 96 Ca 0.03 0.79 0.22 0.00 -1.00 0.00 0.00 55.97 56.01 2qao s LYS 96 Cb -0.13 -3.45 -0.24 0.00 -2.06 0.00 0.00 37.83 31.95 2qao s LYS 96 CO -0.07 0.07 0.64 1.33 0.10 0.00 0.00 175.35 177.43 2qao n VAL 97 N 3.78 0.16 -3.83 1.79 0.24 -1.03 -5.03 118.33 114.42 2qao n VAL 97 Ca -0.02 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.69 2qao n VAL 97 Cb 0.51 -0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.84 2qao n VAL 97 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qao s GLY 98 N -4.43 0.32 0.03 7.63 0.00 -1.26 -4.99 107.32 104.63 2qao s GLY 98 Ca -0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 2qao s GLY 98 CO 0.88 -0.30 -0.00 -1.59 0.00 0.00 0.00 173.10 172.09 2qao s LYS 99 N -2.68 0.48 -0.04 2.90 0.00 -1.26 -1.79 119.74 117.35 2qao s LYS 99 Ca 0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 55.97 55.24 2qao s LYS 99 Cb -0.05 0.17 0.02 0.00 0.00 0.00 0.00 37.83 37.98 2qao s LYS 99 CO 0.11 -0.09 0.09 0.42 0.00 0.00 0.00 175.35 175.87 2qao s ILE 100 N -2.59 -0.03 0.51 3.79 1.01 0.11 -4.44 121.20 119.56 2qao s ILE 100 Ca -0.05 0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 2qao s ILE 100 Cb -0.02 -0.15 -0.07 0.00 0.01 0.00 0.00 42.46 42.24 2qao s ILE 100 CO -0.05 0.05 1.12 -0.94 0.00 0.00 0.00 174.94 175.12 2qao s SER 101 N 0.72 5.94 0.58 3.58 1.04 -1.26 -2.25 113.70 122.04 2qao s SER 101 Ca -0.06 2.17 0.28 0.00 0.48 0.00 0.00 55.95 58.82 2qao s SER 101 Cb -0.08 -2.58 1.59 0.00 0.10 0.00 0.00 66.02 65.05 2qao s SER 101 CO -0.03 -1.07 2.07 0.03 0.98 0.00 0.00 173.24 175.22 2qao h ARG 102 N 1.47 0.00 -0.26 4.02 2.47 -1.73 -0.69 114.38 119.66 2qao h ARG 102 Ca -0.50 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.15 2qao h ARG 102 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.57 2qao h ARG 102 CO 0.58 0.00 -0.13 0.00 0.56 0.00 0.00 179.97 180.98 2qao h ALA 103 N 1.74 0.37 -0.39 0.04 0.00 -1.89 -2.94 119.26 116.19 2qao h ALA 103 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qao h ALA 103 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2qao h ALA 103 CO -0.00 0.24 0.24 1.96 0.00 0.00 0.00 179.25 181.69 2qao h GLN 104 N 0.28 0.48 -0.94 0.00 4.20 -1.50 -2.17 115.11 115.47 2qao h GLN 104 Ca 0.06 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.85 2qao h GLN 104 Cb 0.63 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.23 2qao h GLN 104 CO 0.04 0.32 0.60 -0.07 -0.67 0.00 0.00 178.83 179.04 2qao h LEU 105 N 0.49 0.83 -0.97 1.46 3.38 -1.48 0.24 115.31 119.26 2qao h LEU 105 Ca 0.15 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2qao h LEU 105 Cb -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2qao h LEU 105 CO -0.05 0.47 0.00 1.56 0.09 0.00 0.00 178.44 180.51 2qao h GLN 106 N 0.91 0.75 -0.36 1.13 4.20 -1.23 0.45 115.11 120.95 2qao h GLN 106 Ca 0.45 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.86 2qao h GLN 106 Cb 0.47 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2qao h GLN 106 CO -0.21 0.75 -0.21 0.93 -0.67 0.00 0.00 178.83 179.42 2qao h GLU 107 N 0.70 0.78 -0.25 1.46 5.08 -0.14 -0.09 114.58 122.13 2qao h GLU 107 Ca 0.14 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 2qao h GLU 107 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2qao h GLU 107 CO 0.02 0.98 -0.39 0.82 -1.00 0.00 0.00 179.01 179.43 2qao h ILE 108 N 0.57 1.30 -0.03 3.13 2.04 -0.30 -1.40 117.51 122.82 2qao h ILE 108 Ca 0.08 -1.55 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 2qao h ILE 108 Cb 0.77 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2qao h ILE 108 CO 0.06 0.49 -0.37 0.00 0.00 0.00 0.00 178.15 178.33 2qao h ALA 109 N 1.09 1.33 -0.01 1.87 0.00 0.06 0.20 119.26 123.81 2qao h ALA 109 Ca 0.04 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2qao h ALA 109 Cb 0.89 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2qao h ALA 109 CO 0.08 0.49 -0.75 0.37 0.00 0.00 0.00 179.25 179.44 2qao h GLN 110 N 0.04 0.12 -0.02 0.00 5.75 -0.54 0.57 115.11 121.03 2qao h GLN 110 Ca 0.00 -0.11 -0.17 0.00 -0.15 0.00 0.00 58.65 58.22 2qao h GLN 110 Cb 0.68 0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.27 2qao h GLN 110 CO 0.05 0.81 -0.64 1.15 -2.65 0.00 0.00 178.83 177.55 2qao h THR 111 N 0.08 1.39 0.00 2.39 2.02 -0.64 -3.20 112.91 114.96 2qao h THR 111 Ca -0.02 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.11 2qao h THR 111 Cb 1.32 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 2qao h THR 111 CO 0.11 0.61 0.00 0.29 0.37 0.00 0.00 175.52 176.89 2qao n LYS 112 N -4.17 0.20 -0.31 6.66 4.76 0.00 -4.14 118.16 121.17 2qao n LYS 112 Ca -0.10 0.18 0.12 0.00 -2.87 0.00 0.00 58.31 55.64 2qao n LYS 112 Cb 0.69 -1.74 0.24 0.00 -1.84 0.00 0.00 35.03 32.38 2qao n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qao n ALA 113 N -1.72 0.42 -0.36 7.82 0.00 0.19 0.05 120.51 126.91 2qao n ALA 113 Ca 0.06 0.94 0.05 0.00 0.00 0.00 0.00 53.44 54.49 2qao n ALA 113 Cb 0.40 -0.68 0.20 0.00 0.00 0.00 0.00 19.45 19.38 2qao n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qao h ALA 114 N 1.76 1.44 -0.00 0.00 0.00 -1.80 -2.48 119.26 118.18 2qao h ALA 114 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2qao h ALA 114 Cb 1.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qao h ALA 114 CO -0.84 0.33 -0.69 -0.25 0.00 0.00 0.00 179.25 177.80 2qao n ASP 115 N -4.56 0.86 -4.88 0.00 8.00 0.11 -4.94 116.55 111.13 2qao n ASP 115 Ca 0.17 -0.71 -0.32 0.00 0.71 0.00 0.00 54.79 54.64 2qao n ASP 115 Cb 0.27 0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 41.89 2qao n ASP 115 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2qao s MET 116 N -2.93 3.74 0.07 -1.24 -1.94 -0.21 -4.99 119.30 111.80 2qao s MET 116 Ca 0.11 0.14 0.26 0.00 -1.71 0.00 0.00 55.69 54.49 2qao s MET 116 Cb 0.17 -2.75 0.64 0.00 2.01 0.00 0.00 34.83 34.90 2qao s MET 116 CO 0.75 0.39 1.53 -2.37 -0.01 0.00 0.00 175.02 175.31 2qao n THR 117 N 0.02 0.19 -1.30 2.05 5.66 -1.26 -4.89 114.28 114.76 2qao n THR 117 Ca -0.01 -0.13 -0.51 0.00 -3.05 0.00 0.00 64.05 60.35 2qao n THR 117 Cb 0.52 -0.13 -0.07 0.00 -1.55 0.00 0.00 70.33 69.10 2qao n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qao n GLY 118 N 1.42 -0.09 0.18 1.09 0.00 -1.26 -4.86 105.19 101.67 2qao n GLY 118 Ca 0.05 0.69 -0.16 0.00 0.00 0.00 0.00 46.02 46.60 2qao n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qao h ALA 119 N 3.04 0.21 -1.96 4.61 0.00 -1.95 -3.46 119.26 119.76 2qao h ALA 119 Ca -0.40 -0.53 -0.52 0.00 0.00 0.00 0.00 54.91 53.46 2qao h ALA 119 Cb 1.15 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 2qao h ALA 119 CO 0.63 0.44 -0.63 0.16 0.00 0.00 0.00 179.25 179.85 2qao s ASP 120 N -6.78 2.91 0.34 0.00 1.47 -1.26 -5.05 116.67 108.30 2qao s ASP 120 Ca -0.12 -1.31 0.02 0.00 1.18 0.00 0.00 52.55 52.32 2qao s ASP 120 Cb 0.06 -0.20 0.62 0.00 -0.34 0.00 0.00 42.92 43.06 2qao s ASP 120 CO 0.84 -0.47 1.97 0.16 0.68 0.00 0.00 175.17 178.35 2qao h ILE 121 N 2.08 1.11 -0.26 2.11 -2.65 -2.00 -2.32 117.51 115.58 2qao h ILE 121 Ca -0.41 -0.31 0.03 0.00 1.03 0.00 0.00 64.86 65.20 2qao h ILE 121 Cb 1.24 0.13 -0.03 0.00 -2.05 0.00 0.00 36.82 36.11 2qao h ILE 121 CO 0.72 0.16 0.06 -0.33 0.03 0.00 0.00 178.15 178.79 2qao h GLU 122 N 0.90 0.16 0.02 0.16 3.07 -1.99 0.14 114.58 117.04 2qao h GLU 122 Ca 0.30 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.16 2qao h GLU 122 Cb 0.05 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2qao h GLU 122 CO -0.08 0.10 -0.08 0.00 -1.40 0.00 0.00 179.01 177.54 2qao h ALA 123 N 1.19 -0.11 -0.58 3.43 0.00 -1.83 -0.99 119.26 120.38 2qao h ALA 123 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qao h ALA 123 Cb 0.12 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2qao h ALA 123 CO -0.16 -0.58 0.38 0.52 0.00 0.00 0.00 179.25 179.41 2qao h MET 124 N -0.15 0.76 -0.70 0.00 2.86 -1.17 -0.32 114.93 116.21 2qao h MET 124 Ca 0.03 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2qao h MET 124 Cb 0.19 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2qao h MET 124 CO -0.07 0.51 0.45 1.15 1.06 0.00 0.00 176.91 180.01 2qao h THR 125 N 0.78 1.12 -0.32 2.22 2.02 -0.46 -2.44 112.91 115.84 2qao h THR 125 Ca 0.21 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.94 2qao h THR 125 Cb -0.08 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2qao h THR 125 CO -0.04 0.16 -0.39 -0.09 0.37 0.00 0.00 175.52 175.52 2qao h ARG 126 N 0.89 0.76 -0.96 6.66 2.43 -0.82 -1.91 114.38 121.41 2qao h ARG 126 Ca 0.27 -0.39 0.16 0.00 -0.81 0.00 0.00 59.98 59.21 2qao h ARG 126 Cb -0.02 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.45 2qao h ARG 126 CO -0.09 1.02 0.61 0.77 -1.51 0.00 0.00 179.97 180.76 2qao h SER 127 N 0.62 0.76 0.72 -3.80 0.02 -0.59 0.81 113.55 112.09 2qao h SER 127 Ca 0.05 0.06 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 2qao h SER 127 Cb 0.94 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2qao h SER 127 CO 0.09 0.35 -1.09 0.40 -1.14 0.00 0.00 176.83 175.44 2qao h ILE 128 N 0.78 1.56 -0.60 3.27 2.04 -1.29 -3.19 117.51 120.10 2qao h ILE 128 Ca 0.51 -3.07 0.02 0.00 1.00 0.00 0.00 64.86 63.32 2qao h ILE 128 Cb 0.75 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 2qao h ILE 128 CO -0.28 0.89 0.40 -0.33 0.00 0.00 0.00 178.15 178.83 2qao h GLU 129 N 0.06 0.73 0.00 2.37 5.08 -0.10 0.21 114.58 122.93 2qao h GLU 129 Ca -0.08 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2qao h GLU 129 Cb 1.81 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 2qao h GLU 129 CO 0.17 0.48 -0.28 0.78 -1.00 0.00 0.00 179.01 179.15 2qao h GLY 130 N 0.75 0.00 1.40 -3.84 0.00 -1.09 -0.18 103.07 100.10 2qao h GLY 130 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.30 2qao h GLY 130 CO -0.06 0.00 -1.09 -0.91 0.00 0.00 0.00 176.54 174.48 2qao h THR 131 N 0.00 1.35 -0.18 4.70 1.35 -0.73 -3.01 112.91 116.39 2qao h THR 131 Ca -0.00 -2.48 -0.03 0.00 -0.55 0.00 0.00 66.41 63.35 2qao h THR 131 Cb 0.61 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 2qao h THR 131 CO 0.04 0.75 0.00 0.00 -0.25 0.00 0.00 175.52 176.06 2qao h ALA 132 N 0.52 0.24 0.00 6.62 0.00 -0.31 -1.81 119.26 124.52 2qao h ALA 132 Ca -0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2qao h ALA 132 Cb 1.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2qao h ALA 132 CO 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 2qao h ARG 133 N 0.07 0.00 0.00 0.00 3.08 -1.12 0.19 114.38 116.60 2qao h ARG 133 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qao h ARG 133 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2qao h ARG 133 CO 0.01 0.02 -0.55 0.77 -1.07 0.00 0.00 179.97 179.14 2qao h SER 134 N 0.00 0.00 0.11 7.04 0.02 -1.29 -3.27 113.55 116.16 2qao h SER 134 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2qao h SER 134 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2qao h SER 134 CO 0.00 0.03 -0.45 0.23 -1.14 0.00 0.00 176.83 175.50 2qao n MET 135 N -2.57 0.88 -1.50 3.45 2.81 0.54 -4.68 117.12 116.04 2qao n MET 135 Ca 0.02 -0.65 -0.01 0.00 -1.81 0.00 0.00 57.70 55.26 2qao n MET 135 Cb 0.50 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.52 2qao n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qao n GLY 136 N 1.40 0.39 3.39 3.03 0.00 -0.63 -2.87 105.19 109.90 2qao n GLY 136 Ca 0.10 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 2qao n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qao s LEU 137 N -0.22 4.38 0.62 0.99 1.43 -0.40 -2.46 118.68 123.02 2qao s LEU 137 Ca 0.00 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.17 2qao s LEU 137 Cb 0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2qao s LEU 137 CO 0.00 -0.29 1.04 -0.69 0.23 0.00 0.00 176.35 176.64 2qao s VAL 138 N 1.56 4.18 -0.15 -1.59 1.01 -0.74 -4.06 120.40 120.61 2qao s VAL 138 Ca 0.03 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 2qao s VAL 138 Cb -0.18 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.70 2qao s VAL 138 CO 0.06 -0.77 -0.06 -0.69 0.00 0.00 0.00 175.10 173.64 2qao s VAL 139 N -2.81 1.09 -0.25 2.92 1.01 -1.26 0.06 120.40 121.17 2qao s VAL 139 Ca 0.59 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2qao s VAL 139 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qao s VAL 139 CO 0.45 0.20 0.13 -1.83 0.00 0.00 0.00 175.10 174.05 2qao s GLU 140 N 1.65 3.90 0.00 2.72 1.03 -0.95 -4.85 118.70 122.19 2qao s GLU 140 Ca 0.02 -0.36 0.28 0.00 0.03 0.00 0.00 54.97 54.94 2qao s GLU 140 Cb -0.14 -3.48 1.66 0.00 -0.80 0.00 0.00 34.13 31.37 2qao s GLU 140 CO -0.08 -0.07 2.01 -3.47 -1.33 0.00 0.00 175.26 172.32