#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqj s VAL 2 N 0.00 4.48 0.50 3.15 1.01 -1.26 -1.21 120.40 127.06 2bqj s VAL 2 Ca 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 2bqj s VAL 2 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 2bqj s VAL 2 CO 0.00 -0.31 1.15 -0.36 0.00 0.00 0.00 175.10 175.57 2bqj s PHE 3 N 1.52 2.79 0.21 5.22 0.40 -0.28 -5.00 117.98 122.83 2bqj s PHE 3 Ca 0.02 1.54 -0.16 0.00 -0.60 0.00 0.00 56.93 57.73 2bqj s PHE 3 Cb -0.20 -3.34 -0.08 0.00 0.51 0.00 0.00 43.02 39.91 2bqj s PHE 3 CO 0.05 -1.53 0.64 -1.21 0.70 0.00 0.00 175.22 173.88 2bqj s GLU 4 N -2.96 4.06 0.12 0.44 2.02 -1.26 -4.88 118.70 116.24 2bqj s GLU 4 Ca 0.68 0.63 -0.26 0.00 0.02 0.00 0.00 54.97 56.03 2bqj s GLU 4 Cb -0.26 -2.81 -0.07 0.00 0.10 0.00 0.00 34.13 31.09 2bqj s GLU 4 CO 0.31 0.38 1.44 -0.09 0.02 0.00 0.00 175.26 177.32 2bqj h ARG 5 N 3.20 -0.14 -0.14 1.61 2.43 -1.96 -1.55 114.38 117.83 2bqj h ARG 5 Ca -0.48 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 2bqj h ARG 5 Cb 1.19 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2bqj h ARG 5 CO 0.66 -0.09 -0.20 0.00 -1.51 0.00 0.00 179.97 178.83 2bqj h GLU 7 N 0.22 0.93 -0.42 0.00 4.81 -1.85 -1.23 114.58 117.04 2bqj h GLU 7 Ca 0.04 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2bqj h GLU 7 Cb 0.48 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2bqj h GLU 7 CO 0.03 0.75 -0.12 1.25 -0.73 0.00 0.00 179.01 180.19 2bqj h LEU 8 N 0.89 0.84 -0.63 1.64 5.85 -0.85 -2.18 115.31 120.88 2bqj h LEU 8 Ca 0.22 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2bqj h LEU 8 Cb 0.13 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2bqj h LEU 8 CO -0.03 1.02 0.33 0.00 -0.34 0.00 0.00 178.44 179.42 2bqj h ALA 9 N 0.85 0.84 -0.50 1.25 0.00 -0.75 0.40 119.26 121.35 2bqj h ALA 9 Ca 0.10 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2bqj h ALA 9 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2bqj h ALA 9 CO 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 179.25 179.15 2bqj h ARG 10 N 0.59 0.97 -0.57 0.00 3.08 -1.18 -2.17 114.38 115.10 2bqj h ARG 10 Ca 0.29 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2bqj h ARG 10 Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2bqj h ARG 10 CO -0.21 1.04 0.26 1.15 -1.07 0.00 0.00 179.97 181.14 2bqj h THR 11 N 0.83 1.21 -0.61 2.04 2.02 -0.86 -1.40 112.91 116.14 2bqj h THR 11 Ca 0.13 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 2bqj h THR 11 Cb 0.68 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2bqj h THR 11 CO 0.05 0.25 0.03 -0.07 0.37 0.00 0.00 175.52 176.15 2bqj h LEU 12 N 0.78 1.00 -0.32 2.58 3.38 -0.78 -1.76 115.31 120.19 2bqj h LEU 12 Ca 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2bqj h LEU 12 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2bqj h LEU 12 CO -0.02 1.03 0.13 0.50 0.09 0.00 0.00 178.44 180.18 2bqj h LYS 13 N 0.95 0.47 -0.41 1.13 3.64 -1.16 -2.15 116.57 119.04 2bqj h LYS 13 Ca 0.18 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2bqj h LYS 13 Cb 0.50 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2bqj h LYS 13 CO 0.02 0.47 0.27 -0.09 -2.27 0.00 0.00 179.45 177.86 2bqj h ARG 14 N 0.37 0.44 -0.11 1.90 2.43 -1.04 -1.70 114.38 116.67 2bqj h ARG 14 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2bqj h ARG 14 Cb 0.17 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2bqj h ARG 14 CO -0.01 0.29 0.00 1.28 -1.51 0.00 0.00 179.97 180.02 2bqj n LEU 15 N -4.48 0.80 -0.25 3.80 4.77 -0.68 -4.92 117.00 116.04 2bqj n LEU 15 Ca 0.04 -0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 55.64 2bqj n LEU 15 Cb 0.14 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2bqj n LEU 15 CO 0.35 0.18 -0.03 0.61 -1.33 0.00 0.00 177.39 177.17 2bqj n GLY 16 N 0.87 0.31 0.12 -0.72 0.00 -0.64 -4.97 105.19 100.16 2bqj n GLY 16 Ca 0.11 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.37 2bqj n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqj h MET 17 N 0.00 0.00 -6.22 1.61 2.86 -1.59 -3.41 114.93 108.18 2bqj h MET 17 Ca -0.05 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.01 2bqj h MET 17 Cb 0.94 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 2bqj h MET 17 CO 0.07 0.21 1.31 0.34 1.06 0.00 0.00 176.91 179.89 2bqj s ASP 18 N -5.78 5.85 0.00 1.22 2.15 -1.26 -1.55 116.67 117.29 2bqj s ASP 18 Ca -0.00 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.42 2bqj s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2bqj s ASP 18 CO 0.78 -1.72 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2bqj n GLY 19 N 5.44 0.64 3.67 2.66 0.00 0.27 -4.91 105.19 112.96 2bqj n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2bqj n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqj s TYR 20 N -2.18 1.82 -1.41 1.61 5.04 -0.60 -1.74 117.35 119.89 2bqj s TYR 20 Ca 0.00 -0.00 -0.09 0.00 -2.44 0.00 0.00 57.07 54.54 2bqj s TYR 20 Cb 0.00 -4.03 0.05 0.00 0.35 0.00 0.00 41.96 38.33 2bqj s TYR 20 CO 0.00 -4.43 0.62 0.54 -1.34 0.00 0.00 175.55 170.93 2bqj n ARG 21 N 7.00 -4.25 -1.00 4.97 5.12 -1.26 -1.07 116.66 126.17 2bqj n ARG 21 Ca 0.18 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 2bqj n ARG 21 Cb 0.42 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.30 2bqj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqj n GLY 22 N -1.37 0.54 3.54 -0.13 0.00 -0.71 -5.02 105.19 102.03 2bqj n GLY 22 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2bqj n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqj s ILE 23 N -2.19 5.28 0.68 -0.61 1.01 -0.23 -4.91 121.20 120.23 2bqj s ILE 23 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 2bqj s ILE 23 Cb 0.00 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.77 2bqj s ILE 23 CO 0.00 0.01 1.15 -0.94 0.00 0.00 0.00 174.94 175.16 2bqj s SER 24 N 1.73 4.79 0.24 3.58 1.04 -1.26 -0.56 113.70 123.25 2bqj s SER 24 Ca 0.07 2.16 -0.05 0.00 0.48 0.00 0.00 55.95 58.60 2bqj s SER 24 Cb -0.17 -2.57 0.34 0.00 0.10 0.00 0.00 66.02 63.72 2bqj s SER 24 CO 0.11 -1.85 1.84 0.25 0.98 0.00 0.00 173.24 174.56 2bqj h LEU 25 N -0.00 0.78 -1.71 2.42 5.85 -1.91 -1.31 115.31 119.43 2bqj h LEU 25 Ca -0.47 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.36 2bqj h LEU 25 Cb 1.27 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2bqj h LEU 25 CO 0.52 0.49 0.35 0.00 -0.34 0.00 0.00 178.44 179.46 2bqj h ALA 26 N 1.41 2.04 -0.08 1.25 0.00 -1.91 -0.25 119.26 121.72 2bqj h ALA 26 Ca 0.38 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 2bqj h ALA 26 Cb 0.22 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bqj h ALA 26 CO -0.19 -0.15 -0.84 -0.91 0.00 0.00 0.00 179.25 177.16 2bqj h ASN 27 N 0.34 0.73 -0.34 0.00 2.35 -1.56 -1.35 115.58 115.75 2bqj h ASN 27 Ca 0.23 -0.52 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 2bqj h ASN 27 Cb 0.49 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2bqj h ASN 27 CO -0.06 1.30 -0.04 -0.50 -1.65 0.00 0.00 177.43 176.49 2bqj h TRP 28 N 0.38 0.78 -0.38 1.19 4.06 -1.02 -0.83 115.95 120.14 2bqj h TRP 28 Ca -0.06 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.70 2bqj h TRP 28 Cb 1.46 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 2bqj h TRP 28 CO 0.07 0.75 -0.02 0.52 -3.56 0.00 0.00 178.44 176.20 2bqj h MET 29 N 0.68 0.69 -0.78 0.49 2.86 -0.97 -1.15 114.93 116.76 2bqj h MET 29 Ca 0.13 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2bqj h MET 29 Cb 0.47 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2bqj h MET 29 CO 0.02 0.80 0.41 0.00 1.06 0.00 0.00 176.91 179.21 2bqj h LEU 31 N 1.08 -0.35 -1.18 0.00 5.85 -0.93 -2.58 115.31 117.21 2bqj h LEU 31 Ca 0.27 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 2bqj h LEU 31 Cb 0.06 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2bqj h LEU 31 CO -0.04 -0.20 0.48 0.00 -0.34 0.00 0.00 178.44 178.34 2bqj h ALA 32 N 0.19 1.39 0.08 1.25 0.00 -1.04 -0.15 119.26 120.98 2bqj h ALA 32 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2bqj h ALA 32 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bqj h ALA 32 CO 0.07 0.54 -0.11 -0.22 0.00 0.00 0.00 179.25 179.53 2bqj h LYS 33 N 1.06 -0.22 0.00 0.00 1.63 -1.05 -1.36 116.57 116.63 2bqj h LYS 33 Ca 0.28 0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.93 2bqj h LYS 33 Cb -0.07 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2bqj h LYS 33 CO -0.06 -0.15 -0.78 -1.49 -3.45 0.00 0.00 179.45 173.53 2bqj h TRP 34 N -0.23 0.00 0.08 1.91 4.06 -1.23 -0.71 115.95 119.84 2bqj h TRP 34 Ca 0.01 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.70 2bqj h TRP 34 Cb 0.24 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.42 2bqj h TRP 34 CO -0.13 0.78 -1.08 0.93 -3.56 0.00 0.00 178.44 175.37 2bqj h GLU 35 N 0.00 0.58 0.00 0.49 4.39 -1.00 -3.42 114.58 115.62 2bqj h GLU 35 Ca -0.01 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.95 2bqj h GLU 35 Cb 1.57 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.46 2bqj h GLU 35 CO 0.10 1.32 0.00 -1.13 -1.16 0.00 0.00 179.01 178.14 2bqj n SER 36 N -3.90 0.01 -1.17 1.42 3.41 -0.57 -4.82 113.62 108.00 2bqj n SER 36 Ca -0.13 -0.18 -0.08 0.00 -0.26 0.00 0.00 58.87 58.22 2bqj n SER 36 Cb 0.91 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.89 2bqj n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqj n GLY 37 N 0.02 0.16 2.62 5.00 0.00 -0.27 -2.95 105.19 109.77 2bqj n GLY 37 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2bqj n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqj n TYR 38 N -3.82 -1.33 -3.75 1.61 4.01 -1.13 -4.78 117.16 107.97 2bqj n TYR 38 Ca -0.06 0.21 -0.37 0.00 -0.16 0.00 0.00 57.90 57.52 2bqj n TYR 38 Cb 0.56 -4.04 -0.13 0.00 -0.31 0.00 0.00 39.34 35.42 2bqj n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqj s ASN 39 N -2.37 5.15 0.42 7.72 3.84 -1.15 -1.13 114.94 127.42 2bqj s ASN 39 Ca 0.12 -0.22 0.22 0.00 0.21 0.00 0.00 52.86 53.19 2bqj s ASN 39 Cb -0.05 -1.93 0.83 0.00 -0.55 0.00 0.00 41.25 39.55 2bqj s ASN 39 CO 0.15 -0.04 1.79 0.71 -2.79 0.00 0.00 177.10 176.92 2bqj h THR 40 N 5.55 0.68 -0.40 -5.21 1.35 -1.48 -3.08 112.91 110.31 2bqj h THR 40 Ca -0.38 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 2bqj h THR 40 Cb 1.17 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2bqj h THR 40 CO 0.58 0.27 0.00 -2.11 -0.25 0.00 0.00 175.52 174.01 2bqj n ARG 41 N -3.45 2.17 -1.86 4.72 1.85 -1.26 -3.97 116.66 114.86 2bqj n ARG 41 Ca -0.00 -1.79 -0.42 0.00 -1.00 0.00 0.00 57.85 54.64 2bqj n ARG 41 Cb 0.46 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 2bqj n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqj s ALA 42 N -1.47 3.83 0.04 2.89 0.00 -1.18 -4.78 121.76 121.08 2bqj s ALA 42 Ca 0.35 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.81 2bqj s ALA 42 Cb 0.19 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2bqj s ALA 42 CO 0.26 -0.84 -0.11 0.95 0.00 0.00 0.00 175.76 176.03 2bqj s THR 43 N 1.07 0.87 -0.19 0.00 -4.23 -1.26 -0.52 115.64 111.38 2bqj s THR 43 Ca 0.71 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 60.22 2bqj s THR 43 Cb -0.46 -0.83 0.09 0.00 1.34 0.00 0.00 72.50 72.64 2bqj s THR 43 CO 0.33 -0.12 0.21 0.21 -0.54 0.00 0.00 174.62 174.71 2bqj s ASN 44 N -1.21 1.40 0.03 3.99 2.47 -0.23 -4.96 114.94 116.43 2bqj s ASN 44 Ca -0.02 -0.21 -0.27 0.00 0.42 0.00 0.00 52.86 52.78 2bqj s ASN 44 Cb -0.08 0.33 -0.05 0.00 -1.45 0.00 0.00 41.25 40.00 2bqj s ASN 44 CO 0.01 -0.32 0.85 -0.47 -3.72 0.00 0.00 177.10 173.45 2bqj s TYR 45 N 2.31 3.71 -0.52 0.43 5.04 -1.26 -0.45 117.35 126.61 2bqj s TYR 45 Ca 0.06 1.57 -0.13 0.00 -2.44 0.00 0.00 57.07 56.13 2bqj s TYR 45 Cb -0.15 -2.94 0.13 0.00 0.35 0.00 0.00 41.96 39.34 2bqj s TYR 45 CO -0.11 0.17 0.43 -0.80 -1.34 0.00 0.00 175.55 173.90 2bqj s ASN 46 N 0.32 5.97 0.45 4.32 0.01 -0.00 -4.94 114.94 121.07 2bqj s ASN 46 Ca 0.43 -1.88 0.18 0.00 -0.71 0.00 0.00 52.86 50.88 2bqj s ASN 46 Cb -0.21 -2.12 1.13 0.00 0.41 0.00 0.00 41.25 40.47 2bqj s ASN 46 CO 0.25 -0.77 1.95 0.00 -1.51 0.00 0.00 177.10 177.02 2bqj h ALA 47 N 8.65 2.19 0.30 0.60 0.00 -1.95 -0.76 119.26 128.29 2bqj h ALA 47 Ca -0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2bqj h ALA 47 Cb 1.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2bqj h ALA 47 CO 0.95 -0.36 -0.18 0.78 0.00 0.00 0.00 179.25 180.44 2bqj h GLY 48 N 0.31 -0.47 -1.19 0.00 0.00 -1.95 -3.29 103.07 96.48 2bqj h GLY 48 Ca 0.32 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2bqj h GLY 48 CO -0.08 -0.18 0.00 2.09 0.00 0.00 0.00 176.54 178.36 2bqj n ASP 49 N -5.30 2.38 -0.97 0.19 5.68 -1.18 -5.00 116.55 112.34 2bqj n ASP 49 Ca -0.10 -1.67 -0.11 0.00 -0.50 0.00 0.00 54.79 52.41 2bqj n ASP 49 Cb 0.22 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 2bqj n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bqj n ARG 50 N 0.74 -0.80 -3.91 0.11 1.74 -0.30 -4.75 116.66 109.50 2bqj n ARG 50 Ca 0.09 0.78 -0.21 0.00 -0.77 0.00 0.00 57.85 57.74 2bqj n ARG 50 Cb 0.37 -4.79 -0.03 0.00 -1.02 0.00 0.00 32.46 26.99 2bqj n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqj s SER 51 N -2.77 5.74 0.02 0.55 1.04 -1.22 -4.56 113.70 112.50 2bqj s SER 51 Ca 0.00 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.27 2bqj s SER 51 Cb 0.00 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 2bqj s SER 51 CO 0.00 -0.18 -0.17 -0.89 0.98 0.00 0.00 173.24 172.98 2bqj s THR 52 N -2.14 1.38 -0.21 2.02 2.01 -1.26 -0.82 115.64 116.62 2bqj s THR 52 Ca 0.37 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 2bqj s THR 52 Cb -0.08 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 2bqj s THR 52 CO 0.27 0.22 0.13 -1.81 -0.69 0.00 0.00 174.62 172.74 2bqj s ASP 53 N -0.84 6.02 -0.08 3.53 1.01 0.40 -1.36 116.67 125.35 2bqj s ASP 53 Ca 0.06 0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.48 2bqj s ASP 53 Cb -0.08 -2.07 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 2bqj s ASP 53 CO 0.01 0.13 -0.17 -0.31 0.21 0.00 0.00 175.17 175.04 2bqj s TYR 54 N 0.69 2.67 0.00 4.23 1.51 0.10 -1.07 117.35 125.48 2bqj s TYR 54 Ca 0.07 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2bqj s TYR 54 Cb -0.12 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 2bqj s TYR 54 CO 0.01 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.81 2bqj n GLY 55 N 2.88 -1.87 0.28 0.71 0.00 0.33 -1.43 105.19 106.08 2bqj n GLY 55 Ca -0.18 -1.37 0.06 0.00 0.00 0.00 0.00 46.02 44.54 2bqj n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqj h ILE 56 N 0.00 1.05 -0.47 -0.61 2.10 -1.67 -1.58 117.51 116.34 2bqj h ILE 56 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 2bqj h ILE 56 Cb 0.00 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 2bqj h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 2bqj n PHE 57 N -4.50 0.61 -3.75 2.19 3.72 -1.26 -4.09 117.46 110.38 2bqj n PHE 57 Ca -0.01 -0.39 -0.28 0.00 -0.05 0.00 0.00 57.45 56.72 2bqj n PHE 57 Cb 0.09 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 2bqj n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqj n GLN 58 N 1.17 -1.14 -3.07 -1.08 1.13 -0.60 -4.91 117.38 108.88 2bqj n GLN 58 Ca 0.18 0.63 -0.39 0.00 -1.94 0.00 0.00 57.00 55.47 2bqj n GLN 58 Cb 0.53 -3.09 -0.05 0.00 0.11 0.00 0.00 30.24 27.74 2bqj n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqj s ILE 59 N -3.20 4.96 0.13 5.09 1.01 -0.51 -4.51 121.20 124.17 2bqj s ILE 59 Ca 0.21 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.98 2bqj s ILE 59 Cb -0.10 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2bqj s ILE 59 CO 0.89 0.31 1.01 0.21 0.00 0.00 0.00 174.94 177.36 2bqj s ASN 60 N 0.42 7.42 0.09 3.58 3.84 -1.26 -0.72 114.94 128.31 2bqj s ASN 60 Ca 0.36 1.89 0.18 0.00 0.21 0.00 0.00 52.86 55.50 2bqj s ASN 60 Cb -0.18 -2.59 0.76 0.00 -0.55 0.00 0.00 41.25 38.68 2bqj s ASN 60 CO 0.19 -0.12 1.56 -1.54 -2.79 0.00 0.00 177.10 174.39 2bqj n SER 61 N 2.69 0.24 0.08 -4.21 3.41 -0.46 -2.08 113.62 113.29 2bqj n SER 61 Ca 0.03 0.56 -0.13 0.00 -0.26 0.00 0.00 58.87 59.06 2bqj n SER 61 Cb 0.48 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2bqj n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqj h ARG 62 N 0.00 0.33 0.00 4.33 2.43 -1.85 -3.41 114.38 116.21 2bqj h ARG 62 Ca 0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2bqj h ARG 62 Cb 0.30 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2bqj h ARG 62 CO 0.00 1.11 -0.83 0.66 -1.51 0.00 0.00 179.97 179.40 2bqj n TYR 63 N -3.67 0.00 -0.06 2.20 4.01 -1.20 -0.32 117.16 118.12 2bqj n TYR 63 Ca -0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.64 2bqj n TYR 63 Cb 0.88 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.78 2bqj n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqj n TRP 64 N -1.58 0.00 -4.06 -0.72 7.02 -0.88 -0.08 117.44 117.14 2bqj n TRP 64 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2bqj n TRP 64 Cb 0.28 -0.69 -0.09 0.00 -2.42 0.00 0.00 31.31 28.38 2bqj n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqj s ASN 66 N -2.97 4.55 0.00 0.00 2.47 0.17 -4.44 114.94 114.72 2bqj s ASN 66 Ca 0.15 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.18 2bqj s ASN 66 Cb 0.07 -1.76 0.00 0.00 -1.45 0.00 0.00 41.25 38.11 2bqj s ASN 66 CO -0.04 0.09 0.92 -0.90 -3.72 0.00 0.00 177.10 173.45 2bqj n ASP 67 N 4.07 1.76 0.00 -4.21 5.75 -1.26 -1.51 116.55 121.14 2bqj n ASP 67 Ca -0.18 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 2bqj n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqj n GLY 68 N -0.42 1.33 1.34 6.12 0.00 -1.26 -4.70 105.19 107.59 2bqj n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2bqj n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqj n LYS 69 N 0.00 3.20 -3.57 1.61 2.85 -1.26 -4.92 118.16 116.07 2bqj n LYS 69 Ca 0.00 -2.69 -0.38 0.00 -1.05 0.00 0.00 58.31 54.19 2bqj n LYS 69 Cb 0.00 -1.68 -0.11 0.00 -0.65 0.00 0.00 35.03 32.59 2bqj n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqj s THR 70 N -1.45 5.30 0.69 0.58 2.01 -1.26 -4.96 115.64 116.54 2bqj s THR 70 Ca 0.46 0.23 -0.16 0.00 0.31 0.00 0.00 61.69 62.53 2bqj s THR 70 Cb 0.27 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 69.25 2bqj s THR 70 CO 0.26 0.25 1.22 -2.84 -0.69 0.00 0.00 174.62 172.82 2bqj s PRO 71 N 1.72 2.37 -1.68 4.92 0.02 -1.26 -3.36 135.00 137.73 2bqj s PRO 71 Ca 0.08 1.82 -0.15 0.00 0.02 0.00 0.00 61.00 62.78 2bqj s PRO 71 Cb -0.16 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.64 2bqj s PRO 71 CO 0.10 -1.68 0.60 0.41 -0.33 0.00 0.00 177.00 176.11 2bqj n GLY 72 N 0.49 -0.36 3.90 0.52 0.00 -1.26 -4.93 105.19 103.55 2bqj n GLY 72 Ca 0.14 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2bqj n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqj s ALA 73 N -3.52 3.83 0.27 4.61 0.00 -1.21 -4.94 121.76 120.80 2bqj s ALA 73 Ca 0.56 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.93 2bqj s ALA 73 Cb -0.31 -2.07 -0.06 0.00 0.00 0.00 0.00 23.12 20.69 2bqj s ALA 73 CO 0.95 0.70 0.06 0.08 0.00 0.00 0.00 175.76 177.55 2bqj s VAL 74 N -1.63 0.88 -0.47 0.00 1.01 0.57 -5.03 120.40 115.73 2bqj s VAL 74 Ca 0.40 -2.01 0.03 0.00 0.00 0.00 0.00 61.98 60.40 2bqj s VAL 74 Cb -0.12 -2.61 0.15 0.00 0.00 0.00 0.00 36.38 33.81 2bqj s VAL 74 CO 0.25 -0.09 0.32 0.21 0.00 0.00 0.00 175.10 175.79 2bqj s ASN 75 N -3.36 2.99 0.00 3.32 2.47 -1.26 -3.91 114.94 115.20 2bqj s ASN 75 Ca 0.35 -2.95 -0.25 0.00 0.42 0.00 0.00 52.86 50.43 2bqj s ASN 75 Cb 0.08 -0.85 -0.16 0.00 -1.45 0.00 0.00 41.25 38.87 2bqj s ASN 75 CO 0.13 -0.20 1.16 0.00 -3.72 0.00 0.00 177.10 174.46 2bqj h ALA 76 N 6.14 -0.55 0.00 1.71 0.00 -0.71 -3.12 119.26 122.72 2bqj h ALA 76 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bqj h ALA 76 Cb 0.89 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2bqj h ALA 76 CO 0.46 -0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 2bqj h ALA 77 N -0.53 1.03 -5.30 0.00 0.00 -1.71 -3.47 119.26 109.29 2bqj h ALA 77 Ca -0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 2bqj h ALA 77 Cb 0.56 -0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.49 2bqj h ALA 77 CO 0.09 0.02 -0.68 0.72 0.00 0.00 0.00 179.25 179.41 2bqj n HIS 78 N -3.16 -2.10 -4.33 0.00 -0.00 -1.18 -4.99 115.22 99.45 2bqj n HIS 78 Ca -0.01 0.86 -0.17 0.00 -0.00 0.00 0.00 57.72 58.39 2bqj n HIS 78 Cb 0.21 -4.75 -0.10 0.00 -0.00 0.00 0.00 29.99 25.35 2bqj n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqj s LEU 79 N -6.08 2.45 0.09 2.41 1.43 -1.26 -5.04 118.68 112.68 2bqj s LEU 79 Ca 0.11 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 51.90 2bqj s LEU 79 Cb -0.05 -0.49 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 2bqj s LEU 79 CO 0.66 -0.32 0.65 -0.55 0.23 0.00 0.00 176.35 177.01 2bqj s SER 80 N -3.30 7.16 0.65 2.29 0.15 -1.26 -0.66 113.70 118.73 2bqj s SER 80 Ca 0.24 1.38 0.43 0.00 0.70 0.00 0.00 55.95 58.69 2bqj s SER 80 Cb 0.02 -2.41 2.28 0.00 -1.71 0.00 0.00 66.02 64.20 2bqj s SER 80 CO 0.06 0.21 2.32 0.00 1.20 0.00 0.00 173.24 177.04 2bqj h SER 82 N 0.00 0.65 0.10 0.00 0.87 -1.92 -1.99 113.55 111.26 2bqj h SER 82 Ca -0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2bqj h SER 82 Cb 0.08 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2bqj h SER 82 CO 0.00 0.47 -0.03 0.00 -0.53 0.00 0.00 176.83 176.74 2bqj h ALA 83 N 1.65 1.41 -0.23 6.23 0.00 -1.77 -2.06 119.26 124.48 2bqj h ALA 83 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bqj h ALA 83 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bqj h ALA 83 CO -0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.52 2bqj n LEU 84 N -3.71 1.36 -0.32 0.00 4.77 -0.75 -3.46 117.00 114.90 2bqj n LEU 84 Ca -0.03 -0.66 0.05 0.00 -0.03 0.00 0.00 56.01 55.35 2bqj n LEU 84 Cb 0.12 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 2bqj n LEU 84 CO 0.27 0.33 0.58 0.18 -1.33 0.00 0.00 177.39 177.42 2bqj n LEU 85 N 0.21 2.61 -4.90 2.23 4.77 -0.78 -3.35 117.00 117.80 2bqj n LEU 85 Ca 0.11 -2.41 -0.28 0.00 -0.03 0.00 0.00 56.01 53.39 2bqj n LEU 85 Cb 0.23 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2bqj n LEU 85 CO 0.08 0.63 0.60 -1.10 -1.33 0.00 0.00 177.39 176.26 2bqj s GLN 86 N -1.72 3.13 0.17 3.23 -0.21 -1.22 -4.61 119.66 118.42 2bqj s GLN 86 Ca 0.20 0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.86 2bqj s GLN 86 Cb 0.15 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.98 2bqj s GLN 86 CO 0.06 -0.66 1.40 -0.44 -2.12 0.00 0.00 175.29 173.52 2bqj h ASP 87 N -0.23 0.26 -3.23 5.90 5.19 -1.93 -3.42 116.42 118.96 2bqj h ASP 87 Ca -0.45 -0.21 -0.58 0.00 -0.62 0.00 0.00 57.03 55.17 2bqj h ASP 87 Cb 1.24 -0.08 -0.07 0.00 0.18 0.00 0.00 39.33 40.59 2bqj h ASP 87 CO 0.62 0.99 0.68 0.21 -3.12 0.00 0.00 179.24 178.62 2bqj s ASN 88 N -6.93 6.94 -0.05 6.45 3.84 -1.26 -4.94 114.94 118.99 2bqj s ASN 88 Ca -0.03 1.12 0.08 0.00 0.21 0.00 0.00 52.86 54.24 2bqj s ASN 88 Cb 0.10 -2.50 0.33 0.00 -0.55 0.00 0.00 41.25 38.63 2bqj s ASN 88 CO 0.82 -0.68 1.16 2.30 -2.79 0.00 0.00 177.10 177.92 2bqj n ILE 89 N 5.48 0.80 -0.17 -5.21 -5.35 -1.26 -4.44 119.36 109.21 2bqj n ILE 89 Ca 0.09 -0.53 -0.02 0.00 -0.27 0.00 0.00 62.75 62.02 2bqj n ILE 89 Cb 0.47 -0.06 0.07 0.00 -1.74 0.00 0.00 39.64 38.38 2bqj n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqj h ALA 90 N 3.29 0.61 -0.33 -1.28 0.00 -1.95 0.15 119.26 119.76 2bqj h ALA 90 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2bqj h ALA 90 Cb 0.77 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2bqj h ALA 90 CO 0.10 -0.25 -0.34 -0.44 0.00 0.00 0.00 179.25 178.31 2bqj h ASP 91 N 0.31 0.78 -0.72 0.00 3.32 -1.87 -1.47 116.42 116.78 2bqj h ASP 91 Ca 0.25 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2bqj h ASP 91 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2bqj h ASP 91 CO -0.29 1.05 0.26 0.00 -1.72 0.00 0.00 179.24 178.54 2bqj h ALA 92 N 0.99 1.08 -0.27 3.45 0.00 -1.71 -0.42 119.26 122.38 2bqj h ALA 92 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2bqj h ALA 92 Cb 0.88 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bqj h ALA 92 CO 0.08 0.64 -0.05 0.28 0.00 0.00 0.00 179.25 180.19 2bqj h VAL 93 N 1.07 1.28 -0.95 0.00 2.07 -0.76 -0.35 116.25 118.60 2bqj h VAL 93 Ca 0.24 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2bqj h VAL 93 Cb 0.25 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2bqj h VAL 93 CO -0.01 0.33 0.63 0.00 0.02 0.00 0.00 177.57 178.54 2bqj h ALA 94 N 0.78 1.32 -0.17 1.67 0.00 -0.96 -0.94 119.26 120.96 2bqj h ALA 94 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2bqj h ALA 94 Cb 0.52 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2bqj h ALA 94 CO 0.02 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 179.90 2bqj h ALA 95 N 1.41 0.23 -0.70 0.00 0.00 -0.89 -2.42 119.26 116.89 2bqj h ALA 95 Ca 0.35 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2bqj h ALA 95 Cb -0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2bqj h ALA 95 CO -0.08 -0.06 0.46 0.00 0.00 0.00 0.00 179.25 179.58 2bqj h ALA 96 N 0.77 1.63 -0.49 0.00 0.00 -0.73 -0.72 119.26 119.72 2bqj h ALA 96 Ca 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2bqj h ALA 96 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2bqj h ALA 96 CO 0.01 0.29 0.02 0.87 0.00 0.00 0.00 179.25 180.44 2bqj h LYS 97 N 0.81 0.86 -0.43 0.00 1.57 -1.05 -2.65 116.57 115.70 2bqj h LYS 97 Ca 0.28 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2bqj h LYS 97 Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2bqj h LYS 97 CO -0.08 0.89 0.27 -0.09 -0.57 0.00 0.00 179.45 179.87 2bqj h ARG 98 N 0.72 0.57 -0.22 3.15 9.65 -0.82 -2.57 114.38 124.86 2bqj h ARG 98 Ca 0.14 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2bqj h ARG 98 Cb 0.49 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 2bqj h ARG 98 CO 0.02 0.39 -0.06 0.28 2.80 0.00 0.00 179.97 183.41 2bqj h VAL 99 N 0.57 0.77 0.00 0.20 2.07 -1.00 -2.18 116.25 116.69 2bqj h VAL 99 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2bqj h VAL 99 Cb -0.04 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2bqj h VAL 99 CO -0.03 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.89 2bqj n VAL 100 N -5.21 0.00 0.83 2.57 0.24 -1.01 -2.69 118.33 113.06 2bqj n VAL 100 Ca -0.02 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.42 2bqj n VAL 100 Cb 0.14 -0.56 0.49 0.00 -1.47 0.00 0.00 33.84 32.44 2bqj n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2bqj n ARG 101 N -0.97 0.12 -2.77 7.34 0.63 -0.82 -4.32 116.66 115.87 2bqj n ARG 101 Ca 0.18 0.09 -0.32 0.00 -0.92 0.00 0.00 57.85 56.88 2bqj n ARG 101 Cb 0.08 -1.63 -0.04 0.00 0.45 0.00 0.00 32.46 31.32 2bqj n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2bqj s ASP 102 N -3.67 6.67 0.58 6.15 1.11 -1.09 -4.97 116.67 121.44 2bqj s ASP 102 Ca 0.12 1.38 0.32 0.00 0.18 0.00 0.00 52.55 54.55 2bqj s ASP 102 Cb 0.16 -2.42 1.39 0.00 1.07 0.00 0.00 42.92 43.12 2bqj s ASP 102 CO 0.58 -0.41 1.73 1.55 1.18 0.00 0.00 175.17 179.80 2bqj h PRO 103 N 1.47 0.00 0.00 8.23 0.13 -1.89 -0.08 132.00 139.86 2bqj h PRO 103 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2bqj h PRO 103 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2bqj h PRO 103 CO 0.63 0.00 -0.54 0.37 -0.23 0.00 0.00 178.00 178.23 2bqj h GLN 104 N 0.00 0.00 0.00 0.86 4.15 -1.90 -3.49 115.11 114.73 2bqj h GLN 104 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.83 2bqj h GLN 104 Cb 1.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.67 2bqj h GLN 104 CO -0.00 0.54 0.00 0.41 -1.93 0.00 0.00 178.83 177.85 2bqj n GLY 105 N 0.50 2.12 0.32 2.39 0.00 -0.05 -2.53 105.19 107.94 2bqj n GLY 105 Ca -0.00 -0.53 0.21 0.00 0.00 0.00 0.00 46.02 45.69 2bqj n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqj h ILE 106 N 0.00 0.09 0.00 -0.61 6.09 -1.90 -1.88 117.51 119.29 2bqj h ILE 106 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 2bqj h ILE 106 Cb 0.00 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.40 2bqj h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 2bqj n ARG 107 N -3.19 0.05 0.20 2.19 1.74 -1.05 -2.57 116.66 114.04 2bqj n ARG 107 Ca -0.02 0.42 0.16 0.00 -0.77 0.00 0.00 57.85 57.64 2bqj n ARG 107 Cb 0.12 -1.63 0.81 0.00 -1.02 0.00 0.00 32.46 30.74 2bqj n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqj h ALA 108 N 2.22 1.86 -2.63 7.54 0.00 -1.50 -3.36 119.26 123.38 2bqj h ALA 108 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 2bqj h ALA 108 Cb 0.15 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.75 2bqj h ALA 108 CO 0.00 -0.26 -0.46 -1.58 0.00 0.00 0.00 179.25 176.95 2bqj s TRP 109 N -4.72 3.23 0.39 0.00 0.51 -1.06 -4.95 118.94 112.34 2bqj s TRP 109 Ca -0.05 -0.40 0.07 0.00 -2.12 0.00 0.00 56.10 53.60 2bqj s TRP 109 Cb 0.16 -2.52 0.81 0.00 -0.81 0.00 0.00 33.47 31.11 2bqj s TRP 109 CO 0.58 -0.47 2.01 0.28 -0.51 0.00 0.00 176.95 178.84 2bqj h VAL 110 N 5.56 1.05 -0.71 4.03 2.07 -1.89 -0.50 116.25 125.87 2bqj h VAL 110 Ca -0.29 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.07 2bqj h VAL 110 Cb 1.14 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2bqj h VAL 110 CO 0.67 0.12 0.47 0.00 0.02 0.00 0.00 177.57 178.85 2bqj h ALA 111 N 1.67 1.71 -0.81 1.67 0.00 -1.93 -1.08 119.26 120.50 2bqj h ALA 111 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2bqj h ALA 111 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2bqj h ALA 111 CO -0.06 0.18 0.40 2.35 0.00 0.00 0.00 179.25 182.11 2bqj h TRP 112 N 0.74 1.15 -0.52 0.00 7.01 -1.40 -0.12 115.95 122.81 2bqj h TRP 112 Ca 0.31 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.20 2bqj h TRP 112 Cb 0.26 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 2bqj h TRP 112 CO -0.00 0.83 0.12 0.00 -2.79 0.00 0.00 178.44 176.59 2bqj h ARG 113 N 1.14 0.83 -0.16 2.65 -0.00 -1.22 0.20 114.38 117.82 2bqj h ARG 113 Ca 0.28 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.98 59.50 2bqj h ARG 113 Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 29.96 2bqj h ARG 113 CO -0.04 0.80 -0.09 -0.91 0.00 0.00 0.00 179.97 179.74 2bqj h ASN 114 N 0.72 0.36 0.00 7.04 2.35 -1.05 -3.37 115.58 121.63 2bqj h ASN 114 Ca 0.16 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2bqj h ASN 114 Cb 0.35 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2bqj h ASN 114 CO 0.00 0.70 -0.79 -2.11 -1.65 0.00 0.00 177.43 173.58 2bqj n ARG 115 N -4.61 2.16 0.00 0.81 0.00 -0.08 -4.87 116.66 110.06 2bqj n ARG 115 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2bqj n ARG 115 Cb 0.31 -1.18 0.00 0.00 -0.00 0.00 0.00 32.46 31.59 2bqj n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqj n GLN 117 N -2.80 1.60 -2.11 0.00 7.27 -0.14 -2.17 117.38 119.03 2bqj n GLN 117 Ca 0.00 0.56 -0.20 0.00 0.07 0.00 0.00 57.00 57.44 2bqj n GLN 117 Cb 0.49 -2.08 -0.04 0.00 2.41 0.00 0.00 30.24 31.02 2bqj n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqj n ASN 118 N 1.63 -5.51 -4.49 1.69 5.03 -1.26 -4.96 115.26 107.39 2bqj n ASN 118 Ca 0.11 0.18 -0.23 0.00 0.87 0.00 0.00 54.58 55.51 2bqj n ASN 118 Cb 0.30 -4.69 -0.11 0.00 -1.02 0.00 0.00 39.78 34.27 2bqj n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqj s ARG 119 N -4.56 1.71 -0.71 3.52 0.52 -0.92 -5.08 118.95 113.42 2bqj s ARG 119 Ca 0.00 -1.93 -0.27 0.00 -0.52 0.00 0.00 55.73 53.01 2bqj s ARG 119 Cb 0.00 -1.13 0.03 0.00 0.52 0.00 0.00 34.95 34.37 2bqj s ARG 119 CO 0.00 -0.10 1.26 0.34 0.02 0.00 0.00 175.30 176.82 2bqj s ASP 120 N -3.53 6.20 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.37 2bqj s ASP 120 Ca 0.35 -0.38 0.21 0.00 -0.52 0.00 0.00 52.55 52.20 2bqj s ASP 120 Cb 0.08 -2.55 0.56 0.00 -1.46 0.00 0.00 42.92 39.54 2bqj s ASP 120 CO 0.15 -1.77 1.47 1.33 0.52 0.00 0.00 175.17 176.87 2bqj n VAL 121 N 6.41 0.88 -0.36 1.11 0.24 -1.26 -4.59 118.33 120.76 2bqj n VAL 121 Ca 0.04 -0.94 0.06 0.00 -2.04 0.00 0.00 64.34 61.46 2bqj n VAL 121 Cb 0.49 0.61 0.23 0.00 -1.47 0.00 0.00 33.84 33.70 2bqj n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqj h ARG 122 N 4.05 0.97 -0.97 7.34 3.08 -1.91 -2.46 114.38 124.47 2bqj h ARG 122 Ca 0.00 -0.06 0.27 0.00 0.07 0.00 0.00 59.98 60.26 2bqj h ARG 122 Cb 0.95 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 2bqj h ARG 122 CO 0.00 0.64 0.69 -0.56 -1.07 0.00 0.00 179.97 179.66 2bqj h GLN 123 N 1.00 0.09 0.00 0.04 3.07 -1.95 -0.58 115.11 116.79 2bqj h GLN 123 Ca 0.49 -0.01 -0.08 0.00 0.09 0.00 0.00 58.65 59.15 2bqj h GLN 123 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.98 2bqj h GLN 123 CO -0.26 0.06 -0.36 1.88 0.09 0.00 0.00 178.83 180.25 2bqj h TYR 124 N 0.10 0.00 0.00 0.06 0.05 -1.77 -3.30 116.97 112.11 2bqj h TYR 124 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 2bqj h TYR 124 Cb 1.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.48 2bqj h TYR 124 CO -0.00 0.36 0.00 0.00 -1.05 0.00 0.00 178.16 177.47 2bqj n ALA 125 N -2.37 1.97 -2.12 3.88 0.00 -0.70 -4.88 120.51 116.28 2bqj n ALA 125 Ca -0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 2bqj n ALA 125 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2bqj n ALA 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2bqj s GLN 126 N -0.36 4.47 0.00 0.00 2.00 -0.31 -3.54 119.66 121.93 2bqj s GLN 126 Ca 0.00 1.86 0.00 0.00 -2.00 0.00 0.00 55.36 55.22 2bqj s GLN 126 Cb 0.00 -3.26 0.00 0.00 0.80 0.00 0.00 33.01 30.55 2bqj s GLN 126 CO 0.00 -0.13 0.00 0.41 -0.50 0.00 0.00 175.29 175.07 2bqj n GLY 127 N 2.43 0.50 0.47 2.59 0.00 -1.26 -4.93 105.19 105.00 2bqj n GLY 127 Ca 0.05 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2bqj n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqj n GLY 129 N 1.41 0.44 0.15 0.00 0.00 -1.26 -4.83 105.19 101.09 2bqj n GLY 129 Ca 0.10 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.14 2bqj n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65