#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqf s VAL 2 N 0.00 4.69 0.54 3.15 1.01 -1.26 -1.25 120.40 127.27 2bqf s VAL 2 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 2bqf s VAL 2 Cb 0.00 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2bqf s VAL 2 CO 0.00 -0.35 1.08 -0.36 0.00 0.00 0.00 175.10 175.48 2bqf s PHE 3 N 1.56 2.83 0.36 5.22 0.40 -0.12 -5.00 117.98 123.23 2bqf s PHE 3 Ca 0.03 1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.77 2bqf s PHE 3 Cb -0.21 -3.16 -0.08 0.00 0.51 0.00 0.00 43.02 40.08 2bqf s PHE 3 CO 0.06 -1.24 0.77 -1.21 0.70 0.00 0.00 175.22 174.31 2bqf s GLU 4 N -3.43 3.96 0.11 0.44 2.02 -1.26 -4.89 118.70 115.65 2bqf s GLU 4 Ca 0.69 0.66 -0.34 0.00 0.02 0.00 0.00 54.97 56.00 2bqf s GLU 4 Cb -0.20 -2.39 -0.13 0.00 0.10 0.00 0.00 34.13 31.51 2bqf s GLU 4 CO 0.27 0.07 1.56 -0.09 0.02 0.00 0.00 175.26 177.08 2bqf h ARG 5 N 1.90 -0.62 -0.19 1.61 2.43 -1.96 -0.87 114.38 116.68 2bqf h ARG 5 Ca -0.48 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 2bqf h ARG 5 Cb 1.18 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 2bqf h ARG 5 CO 0.64 -0.42 -0.35 0.00 -1.51 0.00 0.00 179.97 178.34 2bqf h GLU 7 N 0.35 0.30 -0.50 0.00 4.81 -1.89 -2.04 114.58 115.60 2bqf h GLU 7 Ca 0.04 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2bqf h GLU 7 Cb 0.78 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2bqf h GLU 7 CO 0.06 0.20 0.21 1.25 -0.73 0.00 0.00 179.01 179.99 2bqf h LEU 8 N 0.30 0.69 -0.52 1.64 5.85 -0.86 -2.64 115.31 119.78 2bqf h LEU 8 Ca 0.15 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2bqf h LEU 8 Cb 0.10 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2bqf h LEU 8 CO -0.13 0.67 0.18 0.00 -0.34 0.00 0.00 178.44 178.81 2bqf h ALA 9 N 1.05 0.64 -0.57 1.25 0.00 -0.81 -0.33 119.26 120.49 2bqf h ALA 9 Ca 0.17 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2bqf h ALA 9 Cb 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2bqf h ALA 9 CO -0.01 -0.22 0.05 0.00 0.00 0.00 0.00 179.25 179.06 2bqf h ARG 10 N 0.35 0.94 -0.16 0.00 3.08 -1.34 -1.62 114.38 115.63 2bqf h ARG 10 Ca 0.26 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2bqf h ARG 10 Cb 0.29 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2bqf h ARG 10 CO -0.27 0.90 0.05 1.15 -1.07 0.00 0.00 179.97 180.74 2bqf h THR 11 N 0.88 1.17 -0.22 2.04 2.02 -0.95 -1.22 112.91 116.64 2bqf h THR 11 Ca 0.17 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 2bqf h THR 11 Cb 0.45 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2bqf h THR 11 CO 0.02 0.16 -0.20 -0.07 0.37 0.00 0.00 175.52 175.80 2bqf h LEU 12 N 0.08 0.38 -0.28 2.58 3.38 -0.98 -1.96 115.31 118.50 2bqf h LEU 12 Ca 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2bqf h LEU 12 Cb 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2bqf h LEU 12 CO -0.00 0.59 0.05 0.50 0.09 0.00 0.00 178.44 179.67 2bqf h LYS 13 N 0.35 0.47 -0.12 1.13 3.64 -0.98 -2.00 116.57 119.06 2bqf h LYS 13 Ca 0.06 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2bqf h LYS 13 Cb 0.55 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2bqf h LYS 13 CO 0.04 0.57 0.06 -0.09 -2.27 0.00 0.00 179.45 177.77 2bqf h ARG 14 N 0.29 0.17 -0.16 1.90 2.43 -1.01 -1.32 114.38 116.68 2bqf h ARG 14 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2bqf h ARG 14 Cb 0.33 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2bqf h ARG 14 CO 0.00 0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 2bqf n LEU 15 N -4.50 0.89 -1.02 3.80 4.77 -0.76 -4.91 117.00 115.27 2bqf n LEU 15 Ca -0.01 -0.43 -0.08 0.00 -0.03 0.00 0.00 56.01 55.45 2bqf n LEU 15 Cb 0.09 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2bqf n LEU 15 CO 0.35 0.22 -0.08 0.61 -1.33 0.00 0.00 177.39 177.15 2bqf n GLY 16 N 0.80 0.07 0.13 -0.72 0.00 -0.50 -4.95 105.19 100.02 2bqf n GLY 16 Ca 0.07 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.64 2bqf n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqf h MET 17 N -0.12 0.00 -6.13 1.61 2.86 -1.55 -3.41 114.93 108.20 2bqf h MET 17 Ca -0.20 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.90 2bqf h MET 17 Cb 1.14 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 2bqf h MET 17 CO 0.23 0.17 1.33 0.34 1.06 0.00 0.00 176.91 180.04 2bqf s ASP 18 N -5.80 5.59 0.00 1.22 2.15 -1.26 -1.91 116.67 116.66 2bqf s ASP 18 Ca 0.01 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.04 2bqf s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2bqf s ASP 18 CO 0.77 -1.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.39 2bqf n GLY 19 N 5.56 0.71 3.66 2.66 0.00 0.25 -4.90 105.19 113.13 2bqf n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2bqf n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqf s TYR 20 N -2.26 1.56 -1.39 1.61 5.04 -0.80 -1.92 117.35 119.18 2bqf s TYR 20 Ca 0.00 -0.24 -0.07 0.00 -2.44 0.00 0.00 57.07 54.32 2bqf s TYR 20 Cb 0.00 -4.15 0.04 0.00 0.35 0.00 0.00 41.96 38.20 2bqf s TYR 20 CO 0.00 -5.03 0.52 0.54 -1.34 0.00 0.00 175.55 170.25 2bqf n ARG 21 N 7.25 -4.00 -0.93 4.97 5.12 -1.26 -1.24 116.66 126.57 2bqf n ARG 21 Ca 0.19 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2bqf n ARG 21 Cb 0.41 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.28 2bqf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqf n GLY 22 N -1.31 0.65 3.51 -0.13 0.00 -0.81 -5.01 105.19 102.09 2bqf n GLY 22 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2bqf n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqf s ILE 23 N -2.49 5.27 0.79 -0.61 1.01 -0.37 -4.92 121.20 119.88 2bqf s ILE 23 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 2bqf s ILE 23 Cb 0.00 -3.80 0.07 0.00 0.01 0.00 0.00 42.46 38.75 2bqf s ILE 23 CO 0.00 -0.12 1.14 -0.94 0.00 0.00 0.00 174.94 175.01 2bqf s SER 24 N 1.71 4.01 0.25 3.58 1.04 -1.26 -0.58 113.70 122.45 2bqf s SER 24 Ca 0.06 2.07 -0.05 0.00 0.48 0.00 0.00 55.95 58.52 2bqf s SER 24 Cb -0.18 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.67 2bqf s SER 24 CO 0.10 -2.38 1.85 0.25 0.98 0.00 0.00 173.24 174.05 2bqf h LEU 25 N -1.05 1.02 -1.53 2.42 5.85 -1.91 -2.11 115.31 118.00 2bqf h LEU 25 Ca -0.45 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.26 2bqf h LEU 25 Cb 1.26 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2bqf h LEU 25 CO 0.48 0.86 0.44 0.00 -0.34 0.00 0.00 178.44 179.88 2bqf h ALA 26 N 1.30 1.92 -0.12 1.25 0.00 -1.91 -0.59 119.26 121.11 2bqf h ALA 26 Ca 0.27 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 2bqf h ALA 26 Cb 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2bqf h ALA 26 CO -0.04 -0.06 -0.81 -0.91 0.00 0.00 0.00 179.25 177.44 2bqf h ASN 27 N 0.53 0.86 -0.12 0.00 2.35 -1.71 -1.44 115.58 116.05 2bqf h ASN 27 Ca 0.30 -0.58 -0.07 0.00 -0.55 0.00 0.00 56.30 55.40 2bqf h ASN 27 Cb 0.49 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2bqf h ASN 27 CO -0.10 1.38 -0.14 -0.50 -1.65 0.00 0.00 177.43 176.42 2bqf h TRP 28 N 0.48 0.52 -0.37 1.19 4.06 -1.10 -1.05 115.95 119.68 2bqf h TRP 28 Ca -0.06 -0.08 -0.11 0.00 2.06 0.00 0.00 58.89 60.70 2bqf h TRP 28 Cb 1.43 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 29.45 2bqf h TRP 28 CO 0.08 0.61 -0.19 0.52 -3.56 0.00 0.00 178.44 175.90 2bqf h MET 29 N 0.44 0.79 -0.57 0.49 2.86 -1.07 -1.16 114.93 116.70 2bqf h MET 29 Ca 0.08 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2bqf h MET 29 Cb 0.51 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2bqf h MET 29 CO 0.03 0.97 0.35 0.00 1.06 0.00 0.00 176.91 179.33 2bqf h LEU 31 N 0.77 -0.38 -1.05 0.00 5.85 -1.03 -2.42 115.31 117.05 2bqf h LEU 31 Ca 0.21 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2bqf h LEU 31 Cb -0.04 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2bqf h LEU 31 CO -0.04 -0.27 0.64 0.00 -0.34 0.00 0.00 178.44 178.43 2bqf h ALA 32 N 0.24 1.36 0.14 1.25 0.00 -1.03 -0.17 119.26 121.05 2bqf h ALA 32 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bqf h ALA 32 Cb 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2bqf h ALA 32 CO 0.07 0.55 -0.12 -0.22 0.00 0.00 0.00 179.25 179.53 2bqf h LYS 33 N 1.25 -0.27 0.00 0.00 1.63 -1.00 -1.77 116.57 116.40 2bqf h LYS 33 Ca 0.38 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 60.13 2bqf h LYS 33 Cb -0.02 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2bqf h LYS 33 CO -0.11 -0.18 -0.33 -1.49 -3.45 0.00 0.00 179.45 173.88 2bqf h TRP 34 N -0.28 0.00 0.11 1.91 4.06 -1.25 -1.09 115.95 119.41 2bqf h TRP 34 Ca 0.00 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 2bqf h TRP 34 Cb 0.26 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.44 2bqf h TRP 34 CO -0.12 0.33 -0.72 0.93 -3.56 0.00 0.00 178.44 175.30 2bqf h GLU 35 N 0.00 0.24 0.00 0.49 4.39 -0.97 -3.43 114.58 115.30 2bqf h GLU 35 Ca -0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2bqf h GLU 35 Cb 1.22 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2bqf h GLU 35 CO 0.04 1.19 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 2bqf n SER 36 N -4.20 0.12 -1.15 1.42 3.41 -0.71 -4.86 113.62 107.66 2bqf n SER 36 Ca -0.14 -0.57 -0.10 0.00 -0.26 0.00 0.00 58.87 57.80 2bqf n SER 36 Cb 0.77 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2bqf n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqf n GLY 37 N 0.11 0.01 2.33 5.00 0.00 -0.41 -2.84 105.19 109.39 2bqf n GLY 37 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2bqf n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqf n TYR 38 N -3.98 -0.80 -3.75 1.61 4.01 -1.16 -4.79 117.16 108.31 2bqf n TYR 38 Ca -0.10 0.05 -0.37 0.00 -0.16 0.00 0.00 57.90 57.31 2bqf n TYR 38 Cb 0.58 -3.19 -0.12 0.00 -0.31 0.00 0.00 39.34 36.30 2bqf n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqf s ASN 39 N -2.38 5.19 0.53 7.72 2.47 -1.13 -0.94 114.94 126.40 2bqf s ASN 39 Ca 0.03 -0.75 0.31 0.00 0.42 0.00 0.00 52.86 52.86 2bqf s ASN 39 Cb -0.01 -1.89 1.47 0.00 -1.45 0.00 0.00 41.25 39.37 2bqf s ASN 39 CO 0.03 -0.21 2.05 0.71 -3.72 0.00 0.00 177.10 175.96 2bqf h THR 40 N 5.89 0.35 -0.59 -5.21 1.35 -1.50 -2.90 112.91 110.29 2bqf h THR 40 Ca -0.30 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2bqf h THR 40 Cb 1.12 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2bqf h THR 40 CO 0.61 0.09 0.00 -2.11 -0.25 0.00 0.00 175.52 173.86 2bqf n ARG 41 N -3.38 2.53 -1.90 4.72 1.85 -1.26 -4.05 116.66 115.17 2bqf n ARG 41 Ca -0.01 -2.36 -0.42 0.00 -1.00 0.00 0.00 57.85 54.06 2bqf n ARG 41 Cb 0.27 -1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 2bqf n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqf s ALA 42 N -1.22 3.80 0.02 2.89 0.00 -1.10 -4.81 121.76 121.34 2bqf s ALA 42 Ca 0.43 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.82 2bqf s ALA 42 Cb 0.23 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2bqf s ALA 42 CO 0.31 -0.81 -0.05 0.95 0.00 0.00 0.00 175.76 176.16 2bqf s THR 43 N 1.02 0.36 -0.09 0.00 -4.23 -1.26 -0.52 115.64 110.92 2bqf s THR 43 Ca 0.70 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 2bqf s THR 43 Cb -0.45 -0.40 0.05 0.00 1.34 0.00 0.00 72.50 73.04 2bqf s THR 43 CO 0.33 -0.22 0.15 0.21 -0.54 0.00 0.00 174.62 174.54 2bqf s ASN 44 N -0.97 0.87 0.06 3.99 2.47 -0.54 -4.97 114.94 115.84 2bqf s ASN 44 Ca -0.07 0.26 -0.24 0.00 0.42 0.00 0.00 52.86 53.23 2bqf s ASN 44 Cb -0.07 0.21 -0.06 0.00 -1.45 0.00 0.00 41.25 39.89 2bqf s ASN 44 CO -0.00 -0.25 0.72 -0.47 -3.72 0.00 0.00 177.10 173.38 2bqf s TYR 45 N 2.28 3.76 -0.60 0.43 5.04 -1.26 -0.54 117.35 126.46 2bqf s TYR 45 Ca 0.03 1.43 -0.10 0.00 -2.44 0.00 0.00 57.07 56.00 2bqf s TYR 45 Cb -0.12 -2.75 0.15 0.00 0.35 0.00 0.00 41.96 39.59 2bqf s TYR 45 CO -0.06 0.35 0.48 -0.80 -1.34 0.00 0.00 175.55 174.19 2bqf s ASN 46 N -0.33 5.90 0.38 4.32 0.01 0.19 -4.94 114.94 120.46 2bqf s ASN 46 Ca 0.36 -2.30 0.14 0.00 -0.71 0.00 0.00 52.86 50.34 2bqf s ASN 46 Cb -0.20 -2.04 0.97 0.00 0.41 0.00 0.00 41.25 40.38 2bqf s ASN 46 CO 0.22 -0.61 1.82 0.00 -1.51 0.00 0.00 177.10 177.02 2bqf h ALA 47 N 8.01 2.03 -0.70 0.60 0.00 -1.96 0.47 119.26 127.72 2bqf h ALA 47 Ca -0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2bqf h ALA 47 Cb 1.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2bqf h ALA 47 CO 0.82 -0.36 0.40 0.78 0.00 0.00 0.00 179.25 180.89 2bqf h GLY 48 N 0.53 1.02 -0.14 0.00 0.00 -1.96 -3.31 103.07 99.22 2bqf h GLY 48 Ca 0.52 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2bqf h GLY 48 CO -0.26 0.43 0.00 2.09 0.00 0.00 0.00 176.54 178.80 2bqf n ASP 49 N -4.53 1.39 -1.33 0.19 5.68 -1.07 -5.02 116.55 111.87 2bqf n ASP 49 Ca 0.06 -1.31 -0.14 0.00 -0.50 0.00 0.00 54.79 52.90 2bqf n ASP 49 Cb 0.07 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.01 2bqf n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bqf n ARG 50 N -0.03 -1.03 -3.93 0.11 1.74 0.13 -4.76 116.66 108.90 2bqf n ARG 50 Ca 0.01 0.81 -0.22 0.00 -0.77 0.00 0.00 57.85 57.68 2bqf n ARG 50 Cb 0.10 -4.99 -0.04 0.00 -1.02 0.00 0.00 32.46 26.51 2bqf n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqf s SER 51 N -2.60 5.19 0.00 0.55 1.04 -1.22 -4.52 113.70 112.14 2bqf s SER 51 Ca 0.00 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2bqf s SER 51 Cb 0.00 -0.99 -0.01 0.00 0.10 0.00 0.00 66.02 65.12 2bqf s SER 51 CO 0.00 -0.28 -0.13 -0.89 0.98 0.00 0.00 173.24 172.92 2bqf s THR 52 N -2.30 1.04 -0.19 2.02 2.01 -1.26 -0.64 115.64 116.32 2bqf s THR 52 Ca 0.39 -0.68 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 2bqf s THR 52 Cb -0.06 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 2bqf s THR 52 CO 0.25 0.20 0.20 -1.81 -0.69 0.00 0.00 174.62 172.77 2bqf s ASP 53 N -0.55 6.29 -0.03 3.53 1.01 0.30 -1.40 116.67 125.82 2bqf s ASP 53 Ca 0.04 0.33 0.06 0.00 0.71 0.00 0.00 52.55 53.69 2bqf s ASP 53 Cb -0.06 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 2bqf s ASP 53 CO 0.00 0.14 -0.22 -0.31 0.21 0.00 0.00 175.17 174.99 2bqf s TYR 54 N 0.47 2.46 0.00 4.23 1.51 0.42 -1.46 117.35 124.98 2bqf s TYR 54 Ca 0.11 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2bqf s TYR 54 Cb -0.12 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 2bqf s TYR 54 CO 0.01 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 2bqf n GLY 55 N 2.42 -1.83 0.29 0.71 0.00 0.32 -1.48 105.19 105.62 2bqf n GLY 55 Ca -0.16 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.58 2bqf n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqf h ILE 56 N 0.00 1.02 -0.35 -0.61 2.10 -1.70 -1.90 117.51 116.07 2bqf h ILE 56 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 2bqf h ILE 56 Cb 0.00 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 2bqf h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 2bqf n PHE 57 N -4.50 0.46 -3.66 2.19 3.72 -1.26 -4.02 117.46 110.38 2bqf n PHE 57 Ca 0.01 -0.28 -0.27 0.00 -0.05 0.00 0.00 57.45 56.86 2bqf n PHE 57 Cb 0.12 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 2bqf n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqf n GLN 58 N 1.21 -1.19 -2.88 -1.08 1.13 -0.71 -4.92 117.38 108.93 2bqf n GLN 58 Ca 0.16 0.62 -0.41 0.00 -1.94 0.00 0.00 57.00 55.44 2bqf n GLN 58 Cb 0.53 -3.82 -0.04 0.00 0.11 0.00 0.00 30.24 27.02 2bqf n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqf s ILE 59 N -3.31 4.85 0.02 5.09 1.01 -0.55 -4.54 121.20 123.78 2bqf s ILE 59 Ca 0.32 1.77 -0.27 0.00 0.00 0.00 0.00 60.65 62.47 2bqf s ILE 59 Cb -0.12 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2bqf s ILE 59 CO 0.86 0.26 0.83 0.21 0.00 0.00 0.00 174.94 177.10 2bqf s ASN 60 N 0.57 7.24 0.32 3.58 3.84 -1.26 -0.44 114.94 128.80 2bqf s ASN 60 Ca 0.44 1.49 0.25 0.00 0.21 0.00 0.00 52.86 55.25 2bqf s ASN 60 Cb -0.20 -2.50 1.13 0.00 -0.55 0.00 0.00 41.25 39.13 2bqf s ASN 60 CO 0.24 -0.08 1.75 0.77 -2.79 0.00 0.00 177.10 176.99 2bqf h SER 61 N 6.12 0.00 0.88 -4.21 4.64 -1.44 -1.83 113.55 117.71 2bqf h SER 61 Ca -0.42 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.72 2bqf h SER 61 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 2bqf h SER 61 CO 0.73 0.00 -0.85 -0.09 -0.87 0.00 0.00 176.83 175.75 2bqf h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.85 -3.41 114.38 116.32 2bqf h ARG 62 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2bqf h ARG 62 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2bqf h ARG 62 CO 0.00 0.85 -1.02 0.66 -1.51 0.00 0.00 179.97 178.95 2bqf n TYR 63 N -3.51 0.00 -0.07 2.20 4.01 -1.11 -0.54 117.16 118.14 2bqf n TYR 63 Ca -0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2bqf n TYR 63 Cb 0.82 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.70 2bqf n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqf n TRP 64 N -2.31 0.00 -4.13 -0.72 7.02 -0.70 -0.11 117.44 116.49 2bqf n TRP 64 Ca -0.01 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2bqf n TRP 64 Cb 0.51 -0.73 -0.10 0.00 -2.42 0.00 0.00 31.31 28.57 2bqf n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqf s ASN 66 N -3.00 4.70 0.00 0.00 2.47 0.19 -4.41 114.94 114.89 2bqf s ASN 66 Ca 0.14 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.23 2bqf s ASN 66 Cb 0.07 -1.78 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 2bqf s ASN 66 CO -0.04 0.11 0.71 -0.90 -3.72 0.00 0.00 177.10 173.26 2bqf n ASP 67 N 3.91 1.39 0.00 -4.21 5.75 -1.26 -1.55 116.55 120.58 2bqf n ASP 67 Ca -0.17 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 2bqf n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqf n GLY 68 N -0.22 1.93 1.34 6.12 0.00 -1.26 -4.73 105.19 108.37 2bqf n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2bqf n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqf n LYS 69 N 0.00 2.91 -3.54 1.61 2.85 -1.26 -4.92 118.16 115.81 2bqf n LYS 69 Ca 0.00 -2.66 -0.38 0.00 -1.05 0.00 0.00 58.31 54.22 2bqf n LYS 69 Cb 0.00 -1.60 -0.10 0.00 -0.65 0.00 0.00 35.03 32.68 2bqf n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqf s THR 70 N -1.15 5.28 0.67 0.58 2.01 -1.26 -4.96 115.64 116.81 2bqf s THR 70 Ca 0.47 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.65 2bqf s THR 70 Cb 0.26 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.19 2bqf s THR 70 CO 0.31 0.26 1.22 -2.84 -0.69 0.00 0.00 174.62 172.87 2bqf s PRO 71 N 1.54 2.52 -1.64 4.92 0.02 -1.26 -3.35 135.00 137.75 2bqf s PRO 71 Ca 0.11 1.82 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 2bqf s PRO 71 Cb -0.15 -1.87 0.10 0.00 0.02 0.00 0.00 34.50 32.60 2bqf s PRO 71 CO 0.08 -1.56 0.50 0.41 -0.33 0.00 0.00 177.00 176.10 2bqf n GLY 72 N 0.47 -0.31 3.88 0.52 0.00 -1.26 -4.93 105.19 103.56 2bqf n GLY 72 Ca 0.14 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 2bqf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqf s ALA 73 N -3.67 3.59 0.13 4.61 0.00 -1.21 -4.93 121.76 120.28 2bqf s ALA 73 Ca 0.43 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.07 2bqf s ALA 73 Cb -0.24 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2bqf s ALA 73 CO 0.96 0.46 -0.07 0.08 0.00 0.00 0.00 175.76 177.18 2bqf s VAL 74 N -1.87 0.91 -0.63 0.00 1.01 0.30 -5.03 120.40 115.08 2bqf s VAL 74 Ca 0.46 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 60.50 2bqf s VAL 74 Cb -0.11 -1.83 0.21 0.00 0.00 0.00 0.00 36.38 34.65 2bqf s VAL 74 CO 0.24 -0.75 0.60 -3.20 0.00 0.00 0.00 175.10 171.98 2bqf n ASN 75 N -0.15 2.84 0.11 3.32 2.85 -1.26 -3.90 115.26 119.08 2bqf n ASN 75 Ca -0.10 -3.21 -0.13 0.00 -0.11 0.00 0.00 54.58 51.02 2bqf n ASN 75 Cb 0.61 -0.69 -0.08 0.00 1.24 0.00 0.00 39.78 40.86 2bqf n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bqf h ALA 76 N 4.74 -0.23 0.00 5.20 0.00 -0.72 -2.33 119.26 125.93 2bqf h ALA 76 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bqf h ALA 76 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2bqf h ALA 76 CO 0.72 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2bqf n ALA 77 N -2.25 2.05 -3.79 0.00 0.00 -1.13 -4.93 120.51 110.47 2bqf n ALA 77 Ca -0.09 -0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 2bqf n ALA 77 Cb 0.15 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.26 2bqf n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bqf n HIS 78 N -1.43 -1.82 -4.17 0.00 -0.00 -0.88 -4.97 115.22 101.96 2bqf n HIS 78 Ca 0.07 0.73 -0.11 0.00 -0.00 0.00 0.00 57.72 58.40 2bqf n HIS 78 Cb 0.23 -3.94 -0.10 0.00 -0.00 0.00 0.00 29.99 26.17 2bqf n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqf s LEU 79 N -6.72 2.48 0.18 2.41 1.43 -1.26 -5.05 118.68 112.15 2bqf s LEU 79 Ca 0.10 -0.95 -0.25 0.00 -1.03 0.00 0.00 54.13 52.00 2bqf s LEU 79 Cb -0.03 -0.12 -0.08 0.00 0.03 0.00 0.00 46.19 45.98 2bqf s LEU 79 CO 0.85 -0.42 0.79 -0.55 0.23 0.00 0.00 176.35 177.25 2bqf s SER 80 N -2.89 7.38 0.60 2.29 0.15 -1.26 -0.64 113.70 119.33 2bqf s SER 80 Ca 0.10 1.65 0.34 0.00 0.70 0.00 0.00 55.95 58.74 2bqf s SER 80 Cb 0.03 -2.50 1.94 0.00 -1.71 0.00 0.00 66.02 63.78 2bqf s SER 80 CO -0.03 0.19 2.26 0.00 1.20 0.00 0.00 173.24 176.85 2bqf h SER 82 N 0.00 0.86 0.10 0.00 0.87 -1.92 -1.78 113.55 111.69 2bqf h SER 82 Ca -0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2bqf h SER 82 Cb 0.07 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2bqf h SER 82 CO 0.00 0.48 -0.03 0.00 -0.53 0.00 0.00 176.83 176.75 2bqf h ALA 83 N 1.55 1.38 -0.26 6.23 0.00 -1.80 -2.19 119.26 124.17 2bqf h ALA 83 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2bqf h ALA 83 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bqf h ALA 83 CO -0.22 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.34 2bqf n LEU 84 N -3.67 1.54 -0.33 0.00 4.77 -0.67 -3.37 117.00 115.26 2bqf n LEU 84 Ca -0.03 -0.74 0.03 0.00 -0.03 0.00 0.00 56.01 55.25 2bqf n LEU 84 Cb 0.12 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2bqf n LEU 84 CO 0.27 0.37 0.53 0.18 -1.33 0.00 0.00 177.39 177.41 2bqf n LEU 85 N 0.31 2.34 -4.84 2.23 4.77 -0.82 -3.31 117.00 117.68 2bqf n LEU 85 Ca 0.11 -1.83 -0.31 0.00 -0.03 0.00 0.00 56.01 53.96 2bqf n LEU 85 Cb 0.26 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2bqf n LEU 85 CO 0.08 0.57 0.72 -1.10 -1.33 0.00 0.00 177.39 176.33 2bqf s GLN 86 N -0.92 3.08 0.21 3.23 -0.21 -1.22 -4.55 119.66 119.28 2bqf s GLN 86 Ca 0.12 0.83 0.05 0.00 0.02 0.00 0.00 55.36 56.38 2bqf s GLN 86 Cb 0.06 -2.01 0.15 0.00 1.00 0.00 0.00 33.01 32.21 2bqf s GLN 86 CO 0.09 -0.97 1.49 -0.44 -2.12 0.00 0.00 175.29 173.33 2bqf h ASP 87 N -0.62 0.19 -3.40 5.90 3.32 -1.93 -3.41 116.42 116.47 2bqf h ASP 87 Ca -0.44 -0.13 -0.58 0.00 0.02 0.00 0.00 57.03 55.89 2bqf h ASP 87 Cb 1.21 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.63 2bqf h ASP 87 CO 0.59 0.85 0.73 0.21 -1.72 0.00 0.00 179.24 179.91 2bqf s ASN 88 N -6.89 6.81 0.00 6.45 3.84 -1.26 -4.93 114.94 118.97 2bqf s ASN 88 Ca -0.03 0.84 0.08 0.00 0.21 0.00 0.00 52.86 53.96 2bqf s ASN 88 Cb 0.11 -2.51 0.37 0.00 -0.55 0.00 0.00 41.25 38.68 2bqf s ASN 88 CO 0.80 -0.87 1.25 1.33 -2.79 0.00 0.00 177.10 176.83 2bqf n VAL 89 N 5.93 0.09 -0.14 -5.21 0.24 -1.26 -4.35 118.33 113.63 2bqf n VAL 89 Ca 0.10 -0.10 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 2bqf n VAL 89 Cb 0.48 -0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.89 2bqf n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bqf h ALA 90 N 3.32 0.45 -0.48 2.33 0.00 -1.95 -0.26 119.26 122.67 2bqf h ALA 90 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2bqf h ALA 90 Cb 0.11 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2bqf h ALA 90 CO 0.00 -0.36 -0.09 -0.44 0.00 0.00 0.00 179.25 178.37 2bqf h ASP 91 N 0.16 0.86 -0.24 0.00 3.32 -1.87 -1.92 116.42 116.74 2bqf h ASP 91 Ca 0.22 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2bqf h ASP 91 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2bqf h ASP 91 CO -0.33 0.97 -0.04 0.00 -1.72 0.00 0.00 179.24 178.12 2bqf h ALA 92 N 1.11 1.27 -0.30 3.45 0.00 -1.69 -1.31 119.26 121.79 2bqf h ALA 92 Ca 0.13 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2bqf h ALA 92 Cb 0.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bqf h ALA 92 CO 0.04 0.49 -0.28 0.28 0.00 0.00 0.00 179.25 179.77 2bqf h VAL 93 N 0.54 1.30 -0.47 0.00 2.07 -0.79 -0.37 116.25 118.54 2bqf h VAL 93 Ca 0.11 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 2bqf h VAL 93 Cb 0.41 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2bqf h VAL 93 CO 0.02 0.46 0.07 0.00 0.02 0.00 0.00 177.57 178.14 2bqf h ALA 94 N 0.72 1.24 -0.20 1.67 0.00 -0.98 -0.57 119.26 121.13 2bqf h ALA 94 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2bqf h ALA 94 Cb 0.85 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2bqf h ALA 94 CO 0.07 0.51 -0.27 0.00 0.00 0.00 0.00 179.25 179.57 2bqf h ALA 95 N 1.38 0.30 -0.99 0.00 0.00 -1.16 -2.51 119.26 116.29 2bqf h ALA 95 Ca 0.15 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2bqf h ALA 95 Cb 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2bqf h ALA 95 CO 0.01 0.29 0.65 0.00 0.00 0.00 0.00 179.25 180.20 2bqf h ALA 96 N 0.62 1.31 -0.67 0.00 0.00 -0.74 -1.22 119.26 118.56 2bqf h ALA 96 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2bqf h ALA 96 Cb 0.84 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2bqf h ALA 96 CO 0.06 0.63 0.30 0.87 0.00 0.00 0.00 179.25 181.11 2bqf h LYS 97 N 1.32 0.99 -0.57 0.00 1.57 -1.05 -2.64 116.57 116.19 2bqf h LYS 97 Ca 0.37 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2bqf h LYS 97 Cb -0.12 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 2bqf h LYS 97 CO -0.09 0.80 0.36 -0.09 -0.57 0.00 0.00 179.45 179.87 2bqf h ARG 98 N 0.94 0.76 -0.53 3.15 9.65 -0.92 -2.74 114.38 124.70 2bqf h ARG 98 Ca 0.23 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.11 2bqf h ARG 98 Cb 0.16 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 2bqf h ARG 98 CO -0.02 0.53 0.25 0.28 2.80 0.00 0.00 179.97 183.80 2bqf h VAL 99 N 0.77 0.91 0.00 0.20 2.07 -0.94 -2.48 116.25 116.78 2bqf h VAL 99 Ca 0.21 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2bqf h VAL 99 Cb -0.05 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2bqf h VAL 99 CO -0.04 0.09 0.00 1.33 0.02 0.00 0.00 177.57 178.97 2bqf n VAL 100 N -4.91 0.10 0.65 2.57 0.24 -1.02 -2.88 118.33 113.08 2bqf n VAL 100 Ca 0.05 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 2bqf n VAL 100 Cb 0.17 -0.60 0.45 0.00 -1.47 0.00 0.00 33.84 32.39 2bqf n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2bqf n ARG 101 N -1.16 0.19 -2.53 7.34 1.74 -0.93 -4.28 116.66 117.03 2bqf n ARG 101 Ca 0.16 0.21 -0.32 0.00 -0.77 0.00 0.00 57.85 57.13 2bqf n ARG 101 Cb 0.16 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 29.81 2bqf n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bqf s ASP 102 N -4.14 6.69 0.53 0.55 1.11 -1.14 -4.97 116.67 115.30 2bqf s ASP 102 Ca 0.10 1.57 0.35 0.00 0.18 0.00 0.00 52.55 54.75 2bqf s ASP 102 Cb 0.13 -2.50 1.51 0.00 1.07 0.00 0.00 42.92 43.12 2bqf s ASP 102 CO 0.54 -0.52 1.79 1.55 1.18 0.00 0.00 175.17 179.71 2bqf h PRO 103 N 1.18 0.04 -0.36 8.23 0.13 -1.90 -1.50 132.00 137.82 2bqf h PRO 103 Ca -0.47 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2bqf h PRO 103 Cb 1.18 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2bqf h PRO 103 CO 0.62 0.03 0.03 1.96 -0.23 0.00 0.00 178.00 180.40 2bqf h GLN 104 N 0.05 0.56 0.00 0.86 4.20 -1.90 -3.48 115.11 115.39 2bqf h GLN 104 Ca 0.59 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 59.18 2bqf h GLN 104 Cb 2.24 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.94 2bqf h GLN 104 CO -0.05 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 179.09 2bqf n GLY 105 N -0.91 1.09 0.31 3.46 0.00 -0.57 -2.75 105.19 105.82 2bqf n GLY 105 Ca 0.02 -0.74 0.21 0.00 0.00 0.00 0.00 46.02 45.51 2bqf n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqf h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -1.97 117.51 119.11 2bqf h ILE 106 Ca 0.00 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 2bqf h ILE 106 Cb 0.00 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.27 2bqf h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 2bqf n ARG 107 N -2.97 0.07 0.09 2.19 1.74 -1.11 -2.87 116.66 113.80 2bqf n ARG 107 Ca -0.02 0.25 0.11 0.00 -0.77 0.00 0.00 57.85 57.41 2bqf n ARG 107 Cb 0.09 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 30.61 2bqf n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqf h ALA 108 N 2.47 2.07 -2.49 7.54 0.00 -1.54 -3.37 119.26 123.93 2bqf h ALA 108 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 2bqf h ALA 108 Cb 0.17 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 2bqf h ALA 108 CO 0.00 -0.13 -0.10 -1.58 0.00 0.00 0.00 179.25 177.43 2bqf s TRP 109 N -5.20 3.19 0.41 0.00 0.51 -1.14 -4.95 118.94 111.78 2bqf s TRP 109 Ca -0.06 0.17 0.08 0.00 -2.12 0.00 0.00 56.10 54.17 2bqf s TRP 109 Cb 0.18 -2.85 0.87 0.00 -0.81 0.00 0.00 33.47 30.86 2bqf s TRP 109 CO 0.71 -0.49 2.05 0.28 -0.51 0.00 0.00 176.95 178.99 2bqf h VAL 110 N 5.58 1.11 -0.43 4.03 2.07 -1.89 -1.34 116.25 125.37 2bqf h VAL 110 Ca -0.28 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.08 2bqf h VAL 110 Cb 1.13 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2bqf h VAL 110 CO 0.75 0.11 0.29 0.00 0.02 0.00 0.00 177.57 178.74 2bqf h ALA 111 N 1.74 2.03 -0.64 1.67 0.00 -1.93 -1.40 119.26 120.72 2bqf h ALA 111 Ca 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2bqf h ALA 111 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2bqf h ALA 111 CO -0.03 -0.12 0.08 2.35 0.00 0.00 0.00 179.25 181.54 2bqf h TRP 112 N 0.29 1.15 -0.49 0.00 7.01 -1.56 -1.03 115.95 121.33 2bqf h TRP 112 Ca 0.19 -0.17 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2bqf h TRP 112 Cb 0.39 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 2bqf h TRP 112 CO -0.00 0.98 0.15 0.00 -2.79 0.00 0.00 178.44 176.78 2bqf h ARG 113 N 0.99 0.76 -0.20 2.65 3.08 -1.31 0.14 114.38 120.49 2bqf h ARG 113 Ca 0.19 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 2bqf h ARG 113 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2bqf h ARG 113 CO 0.02 0.71 -0.46 -0.91 -1.07 0.00 0.00 179.97 178.25 2bqf h ASN 114 N 0.65 0.76 -0.00 7.04 2.35 -1.35 -3.37 115.58 121.65 2bqf h ASN 114 Ca 0.16 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2bqf h ASN 114 Cb 0.27 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2bqf h ASN 114 CO -0.00 1.18 -0.26 -2.11 -1.65 0.00 0.00 177.43 174.58 2bqf n ARG 115 N -4.18 2.96 0.00 0.81 0.00 -0.40 -4.88 116.66 110.97 2bqf n ARG 115 Ca -0.06 -0.35 0.00 0.00 -0.00 0.00 0.00 57.85 57.44 2bqf n ARG 115 Cb 0.57 -0.99 0.00 0.00 -0.00 0.00 0.00 32.46 32.05 2bqf n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqf n GLN 117 N -2.69 1.71 -1.70 0.00 7.27 -0.18 -2.06 117.38 119.72 2bqf n GLN 117 Ca 0.00 0.61 -0.19 0.00 0.07 0.00 0.00 57.00 57.48 2bqf n GLN 117 Cb 0.41 -2.21 -0.07 0.00 2.41 0.00 0.00 30.24 30.77 2bqf n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqf n ASN 118 N 2.18 -5.37 -4.67 1.69 5.03 -1.26 -4.96 115.26 107.89 2bqf n ASN 118 Ca 0.13 0.40 -0.25 0.00 0.87 0.00 0.00 54.58 55.73 2bqf n ASN 118 Cb 0.28 -4.55 -0.08 0.00 -1.02 0.00 0.00 39.78 34.41 2bqf n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqf s ARG 119 N -3.87 2.12 -0.56 3.52 0.52 -0.88 -5.08 118.95 114.72 2bqf s ARG 119 Ca 0.00 -1.85 -0.25 0.00 -0.52 0.00 0.00 55.73 53.11 2bqf s ARG 119 Cb 0.00 -1.90 0.04 0.00 0.52 0.00 0.00 34.95 33.61 2bqf s ARG 119 CO 0.00 0.00 1.00 0.34 0.02 0.00 0.00 175.30 176.66 2bqf s ASP 120 N -3.79 6.35 -0.03 0.23 2.15 -1.26 -4.88 116.67 115.44 2bqf s ASP 120 Ca 0.37 -0.28 0.17 0.00 0.43 0.00 0.00 52.55 53.24 2bqf s ASP 120 Cb 0.03 -2.46 0.54 0.00 -0.30 0.00 0.00 42.92 40.73 2bqf s ASP 120 CO 0.20 -1.30 1.45 1.33 -0.17 0.00 0.00 175.17 176.69 2bqf n VAL 121 N 6.29 1.25 0.04 1.11 0.24 -1.26 -4.57 118.33 121.44 2bqf n VAL 121 Ca 0.03 -1.10 0.06 0.00 -2.04 0.00 0.00 64.34 61.29 2bqf n VAL 121 Cb 0.48 0.38 0.48 0.00 -1.47 0.00 0.00 33.84 33.70 2bqf n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqf h ARG 122 N 3.29 0.42 -0.09 7.34 3.08 -1.92 -2.07 114.38 124.42 2bqf h ARG 122 Ca 0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2bqf h ARG 122 Cb 1.02 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 2bqf h ARG 122 CO 0.06 0.27 0.29 -0.56 -1.07 0.00 0.00 179.97 178.97 2bqf h GLN 123 N 0.43 0.00 0.00 0.04 3.07 -1.97 -1.17 115.11 115.51 2bqf h GLN 123 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.82 2bqf h GLN 123 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 2bqf h GLN 123 CO -0.03 0.00 -0.24 1.88 0.09 0.00 0.00 178.83 180.53 2bqf h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.70 -3.33 116.97 112.04 2bqf h TYR 124 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2bqf h TYR 124 Cb 0.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2bqf h TYR 124 CO 0.00 0.24 0.00 1.33 -1.05 0.00 0.00 178.16 178.68 2bqf n VAL 125 N -3.24 0.02 -2.12 -2.88 0.24 -0.51 -4.86 118.33 104.99 2bqf n VAL 125 Ca 0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 2bqf n VAL 125 Cb 0.54 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 2bqf n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2bqf s GLN 126 N -0.02 4.31 0.00 7.34 1.11 -0.78 -2.55 119.66 129.07 2bqf s GLN 126 Ca 0.00 2.14 0.00 0.00 0.01 0.00 0.00 55.36 57.51 2bqf s GLN 126 Cb 0.00 -3.21 0.00 0.00 -1.01 0.00 0.00 33.01 28.79 2bqf s GLN 126 CO 0.00 -0.44 0.00 0.41 0.01 0.00 0.00 175.29 175.27 2bqf n GLY 127 N 3.30 1.16 0.06 3.09 0.00 -1.26 -4.92 105.19 106.61 2bqf n GLY 127 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2bqf n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqf n GLY 129 N 1.43 0.16 0.32 0.00 0.00 -1.26 -4.82 105.19 101.03 2bqf n GLY 129 Ca 0.09 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.51 2bqf n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65