#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqm s VAL 2 N 0.00 4.07 0.63 3.15 1.01 -1.26 -1.12 120.40 126.88 2bqm s VAL 2 Ca 0.00 -1.54 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 2bqm s VAL 2 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2bqm s VAL 2 CO 0.00 -0.56 1.19 -0.36 0.00 0.00 0.00 175.10 175.37 2bqm s PHE 3 N 1.38 2.37 0.26 5.22 0.40 -0.11 -5.00 117.98 122.51 2bqm s PHE 3 Ca 0.04 1.54 -0.09 0.00 -0.60 0.00 0.00 56.93 57.82 2bqm s PHE 3 Cb -0.23 -3.42 -0.07 0.00 0.51 0.00 0.00 43.02 39.81 2bqm s PHE 3 CO 0.01 -2.17 0.58 -1.21 0.70 0.00 0.00 175.22 173.13 2bqm s GLU 4 N -3.56 3.78 0.07 0.44 2.02 -1.26 -4.88 118.70 115.31 2bqm s GLU 4 Ca 0.75 0.26 -0.17 0.00 0.02 0.00 0.00 54.97 55.83 2bqm s GLU 4 Cb -0.28 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.29 2bqm s GLU 4 CO 0.36 0.25 1.28 -0.09 0.02 0.00 0.00 175.26 177.09 2bqm h ARG 5 N 2.22 -0.19 -0.31 1.61 2.43 -1.96 -1.58 114.38 116.60 2bqm h ARG 5 Ca -0.47 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 2bqm h ARG 5 Cb 1.18 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2bqm h ARG 5 CO 0.68 -0.13 -0.06 0.00 -1.51 0.00 0.00 179.97 178.95 2bqm h GLU 7 N 0.47 0.88 -0.34 0.00 4.81 -1.90 -1.41 114.58 117.09 2bqm h GLU 7 Ca 0.10 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2bqm h GLU 7 Cb 0.40 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2bqm h GLU 7 CO 0.02 0.58 -0.13 1.25 -0.73 0.00 0.00 179.01 180.00 2bqm h LEU 8 N 0.90 0.71 -0.28 1.64 5.85 -0.82 -2.61 115.31 120.71 2bqm h LEU 8 Ca 0.29 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2bqm h LEU 8 Cb 0.01 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2bqm h LEU 8 CO -0.11 0.94 -0.15 0.00 -0.34 0.00 0.00 178.44 178.78 2bqm h ALA 9 N 0.79 0.06 -0.79 1.25 0.00 -0.71 0.48 119.26 120.35 2bqm h ALA 9 Ca 0.08 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2bqm h ALA 9 Cb 0.65 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2bqm h ALA 9 CO 0.04 -0.55 0.33 0.00 0.00 0.00 0.00 179.25 179.08 2bqm h ARG 10 N -0.12 1.16 -0.25 0.00 3.08 -1.28 -1.77 114.38 115.20 2bqm h ARG 10 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2bqm h ARG 10 Cb 0.34 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2bqm h ARG 10 CO -0.35 0.93 0.10 1.15 -1.07 0.00 0.00 179.97 180.73 2bqm h THR 11 N 1.14 1.17 -0.74 2.04 2.02 -0.97 -0.94 112.91 116.63 2bqm h THR 11 Ca 0.27 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2bqm h THR 11 Cb 0.18 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2bqm h THR 11 CO -0.03 0.17 0.42 -0.07 0.37 0.00 0.00 175.52 176.39 2bqm h LEU 12 N 0.25 0.91 -0.29 2.58 3.38 -0.71 -1.36 115.31 120.06 2bqm h LEU 12 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2bqm h LEU 12 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2bqm h LEU 12 CO -0.01 0.72 0.08 0.50 0.09 0.00 0.00 178.44 179.83 2bqm h LYS 13 N 1.03 0.46 -0.27 1.13 3.64 -0.94 -2.07 116.57 119.54 2bqm h LYS 13 Ca 0.26 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2bqm h LYS 13 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2bqm h LYS 13 CO -0.04 0.53 0.15 -0.09 -2.27 0.00 0.00 179.45 177.72 2bqm h ARG 14 N 0.31 0.36 -0.11 1.90 2.43 -0.73 -1.57 114.38 116.98 2bqm h ARG 14 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2bqm h ARG 14 Cb 0.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2bqm h ARG 14 CO -0.00 0.26 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 2bqm n LEU 15 N -4.47 0.67 -0.57 3.80 4.77 -0.55 -4.90 117.00 115.75 2bqm n LEU 15 Ca 0.01 -0.32 -0.05 0.00 -0.03 0.00 0.00 56.01 55.62 2bqm n LEU 15 Cb 0.09 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2bqm n LEU 15 CO 0.35 0.16 -0.06 0.61 -1.33 0.00 0.00 177.39 177.12 2bqm n GLY 16 N 0.79 0.25 0.16 -0.72 0.00 -0.59 -4.96 105.19 100.12 2bqm n GLY 16 Ca 0.08 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.53 2bqm n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqm h MET 17 N 0.00 0.00 -6.24 1.61 2.86 -1.57 -3.41 114.93 108.19 2bqm h MET 17 Ca -0.12 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.96 2bqm h MET 17 Cb 0.97 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 2bqm h MET 17 CO 0.15 0.00 1.26 0.34 1.06 0.00 0.00 176.91 179.72 2bqm s ASP 18 N -5.62 5.80 0.00 1.22 2.15 -1.26 -2.04 116.67 116.91 2bqm s ASP 18 Ca 0.04 0.95 0.00 0.00 0.43 0.00 0.00 52.55 53.96 2bqm s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2bqm s ASP 18 CO 0.73 -1.85 0.00 0.61 -0.17 0.00 0.00 175.17 174.49 2bqm n GLY 19 N 5.44 0.66 3.67 2.66 0.00 -0.01 -4.92 105.19 112.69 2bqm n GLY 19 Ca 0.21 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2bqm n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqm s TYR 20 N -2.00 2.12 -1.48 1.61 5.04 -0.87 -1.93 117.35 119.85 2bqm s TYR 20 Ca 0.00 0.19 -0.12 0.00 -2.44 0.00 0.00 57.07 54.70 2bqm s TYR 20 Cb 0.00 -3.97 0.08 0.00 0.35 0.00 0.00 41.96 38.42 2bqm s TYR 20 CO 0.00 -4.03 0.77 0.54 -1.34 0.00 0.00 175.55 171.49 2bqm n ARG 21 N 6.41 -4.50 -0.98 4.97 5.12 -1.26 -1.26 116.66 125.16 2bqm n ARG 21 Ca 0.17 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 2bqm n ARG 21 Cb 0.42 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 2bqm n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqm n GLY 22 N -1.47 0.50 3.54 -0.13 0.00 -0.81 -5.01 105.19 101.80 2bqm n GLY 22 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2bqm n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqm s ILE 23 N -2.15 5.27 0.73 -0.61 1.01 -0.39 -4.92 121.20 120.14 2bqm s ILE 23 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.41 2bqm s ILE 23 Cb 0.00 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2bqm s ILE 23 CO 0.00 0.02 1.11 -0.94 0.00 0.00 0.00 174.94 175.13 2bqm s SER 24 N 1.73 4.64 0.19 3.58 1.04 -1.26 -0.83 113.70 122.79 2bqm s SER 24 Ca 0.07 1.97 -0.11 0.00 0.48 0.00 0.00 55.95 58.36 2bqm s SER 24 Cb -0.17 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.58 2bqm s SER 24 CO 0.11 -1.95 1.80 0.25 0.98 0.00 0.00 173.24 174.43 2bqm h LEU 25 N -0.59 0.48 -1.56 2.42 5.85 -1.91 -1.91 115.31 118.08 2bqm h LEU 25 Ca -0.45 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.42 2bqm h LEU 25 Cb 1.25 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2bqm h LEU 25 CO 0.52 0.32 0.48 0.00 -0.34 0.00 0.00 178.44 179.43 2bqm h ALA 26 N 1.30 2.05 -0.22 1.25 0.00 -1.92 -0.14 119.26 121.58 2bqm h ALA 26 Ca 0.26 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 2bqm h ALA 26 Cb 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2bqm h ALA 26 CO -0.16 -0.24 -0.63 -0.91 0.00 0.00 0.00 179.25 177.32 2bqm h ASN 27 N 0.45 0.93 -0.23 0.00 2.35 -1.68 -0.95 115.58 116.45 2bqm h ASN 27 Ca 0.35 -0.58 -0.06 0.00 -0.55 0.00 0.00 56.30 55.46 2bqm h ASN 27 Cb 0.74 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 2bqm h ASN 27 CO -0.11 1.35 -0.05 -0.50 -1.65 0.00 0.00 177.43 176.47 2bqm h TRP 28 N 0.57 0.61 -0.43 1.19 4.06 -0.95 -0.40 115.95 120.59 2bqm h TRP 28 Ca -0.02 -0.08 -0.14 0.00 2.06 0.00 0.00 58.89 60.72 2bqm h TRP 28 Cb 1.25 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 2bqm h TRP 28 CO 0.08 0.62 -0.27 0.52 -3.56 0.00 0.00 178.44 175.83 2bqm h MET 29 N 0.54 0.92 -0.64 0.49 2.86 -0.92 -1.13 114.93 117.05 2bqm h MET 29 Ca 0.11 -0.42 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 2bqm h MET 29 Cb 0.42 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2bqm h MET 29 CO 0.02 1.08 0.17 0.00 1.06 0.00 0.00 176.91 179.24 2bqm h LEU 31 N 0.95 -0.24 -1.06 0.00 5.85 -0.77 -2.73 115.31 117.31 2bqm h LEU 31 Ca 0.20 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2bqm h LEU 31 Cb 0.34 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2bqm h LEU 31 CO -0.00 -0.11 0.64 0.00 -0.34 0.00 0.00 178.44 178.62 2bqm h ALA 32 N 0.42 1.36 -0.02 1.25 0.00 -1.07 -0.27 119.26 120.93 2bqm h ALA 32 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bqm h ALA 32 Cb 0.27 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bqm h ALA 32 CO 0.05 0.56 0.01 -0.22 0.00 0.00 0.00 179.25 179.64 2bqm h LYS 33 N 1.24 0.02 0.00 0.00 1.63 -1.19 -1.72 116.57 116.56 2bqm h LYS 33 Ca 0.38 -0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 60.00 2bqm h LYS 33 Cb -0.03 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2bqm h LYS 33 CO -0.11 0.01 -0.83 -1.49 -3.45 0.00 0.00 179.45 173.59 2bqm h TRP 34 N 0.02 0.00 -0.01 1.91 4.06 -1.25 -1.51 115.95 119.17 2bqm h TRP 34 Ca 0.01 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.81 2bqm h TRP 34 Cb 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.18 2bqm h TRP 34 CO -0.09 0.83 -0.59 0.93 -3.56 0.00 0.00 178.44 175.96 2bqm h GLU 35 N 0.00 0.42 0.00 0.49 4.39 -1.01 -3.42 114.58 115.45 2bqm h GLU 35 Ca -0.01 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2bqm h GLU 35 Cb 1.61 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2bqm h GLU 35 CO 0.11 1.10 0.00 -1.13 -1.16 0.00 0.00 179.01 177.92 2bqm n SER 36 N -4.22 0.03 -1.00 1.42 3.41 -0.69 -4.84 113.62 107.73 2bqm n SER 36 Ca -0.10 -0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.19 2bqm n SER 36 Cb 0.66 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 2bqm n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqm n GLY 37 N 0.27 0.09 2.30 5.00 0.00 -0.57 -3.05 105.19 109.23 2bqm n GLY 37 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 2bqm n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqm n TYR 38 N -3.94 -0.71 -3.75 1.61 4.01 -1.16 -4.80 117.16 108.41 2bqm n TYR 38 Ca -0.08 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.29 2bqm n TYR 38 Cb 0.57 -3.21 -0.12 0.00 -0.31 0.00 0.00 39.34 36.26 2bqm n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqm s ASN 39 N -2.32 5.14 0.51 7.72 2.47 -1.17 -0.93 114.94 126.36 2bqm s ASN 39 Ca 0.00 -0.43 0.31 0.00 0.42 0.00 0.00 52.86 53.16 2bqm s ASN 39 Cb 0.00 -1.91 1.16 0.00 -1.45 0.00 0.00 41.25 39.05 2bqm s ASN 39 CO 0.00 -0.11 1.90 0.71 -3.72 0.00 0.00 177.10 175.88 2bqm h THR 40 N 5.68 0.00 -0.37 -5.21 1.35 -1.44 -3.14 112.91 109.78 2bqm h THR 40 Ca -0.35 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2bqm h THR 40 Cb 1.15 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2bqm h THR 40 CO 0.59 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.75 2bqm n ARG 41 N -3.02 2.44 -1.85 4.72 1.85 -1.26 -4.11 116.66 115.42 2bqm n ARG 41 Ca 0.01 -2.17 -0.42 0.00 -1.00 0.00 0.00 57.85 54.28 2bqm n ARG 41 Cb 0.34 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.22 2bqm n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqm s ALA 42 N -1.53 3.77 0.01 2.89 0.00 -1.19 -4.78 121.76 120.94 2bqm s ALA 42 Ca 0.38 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.84 2bqm s ALA 42 Cb 0.22 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2bqm s ALA 42 CO 0.31 -0.87 -0.06 0.95 0.00 0.00 0.00 175.76 176.09 2bqm s THR 43 N 0.51 0.45 -0.04 0.00 -4.23 -1.26 -0.38 115.64 110.68 2bqm s THR 43 Ca 0.66 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2bqm s THR 43 Cb -0.46 -0.43 0.03 0.00 1.34 0.00 0.00 72.50 72.98 2bqm s THR 43 CO 0.40 -0.05 0.05 0.21 -0.54 0.00 0.00 174.62 174.68 2bqm s ASN 44 N -0.61 1.03 -0.04 3.99 2.47 -0.50 -4.97 114.94 116.30 2bqm s ASN 44 Ca -0.02 0.05 -0.22 0.00 0.42 0.00 0.00 52.86 53.10 2bqm s ASN 44 Cb -0.05 -0.17 -0.05 0.00 -1.45 0.00 0.00 41.25 39.54 2bqm s ASN 44 CO -0.00 -0.22 0.63 -0.47 -3.72 0.00 0.00 177.10 173.32 2bqm s TYR 45 N 1.97 3.62 -0.57 0.43 5.04 -1.26 -0.65 117.35 125.93 2bqm s TYR 45 Ca 0.03 1.19 -0.11 0.00 -2.44 0.00 0.00 57.07 55.74 2bqm s TYR 45 Cb -0.12 -2.70 0.14 0.00 0.35 0.00 0.00 41.96 39.64 2bqm s TYR 45 CO -0.03 0.21 0.47 -0.80 -1.34 0.00 0.00 175.55 174.06 2bqm s ASN 46 N 0.34 5.95 0.34 4.32 0.01 0.47 -4.93 114.94 121.44 2bqm s ASN 46 Ca 0.33 -2.14 0.06 0.00 -0.71 0.00 0.00 52.86 50.41 2bqm s ASN 46 Cb -0.18 -2.07 0.73 0.00 0.41 0.00 0.00 41.25 40.14 2bqm s ASN 46 CO 0.17 -0.67 1.89 0.00 -1.51 0.00 0.00 177.10 176.97 2bqm h ALA 47 N 8.27 1.72 -0.81 0.60 0.00 -1.96 0.15 119.26 127.22 2bqm h ALA 47 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2bqm h ALA 47 Cb 1.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2bqm h ALA 47 CO 0.87 0.07 0.46 0.78 0.00 0.00 0.00 179.25 181.43 2bqm h GLY 48 N 0.79 1.20 0.00 0.00 0.00 -1.95 -3.27 103.07 99.84 2bqm h GLY 48 Ca 0.42 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2bqm h GLY 48 CO -0.19 0.50 0.00 2.09 0.00 0.00 0.00 176.54 178.94 2bqm n ASP 49 N -4.36 1.22 -1.64 0.19 5.75 -1.13 -5.02 116.55 111.55 2bqm n ASP 49 Ca 0.09 -1.27 -0.15 0.00 -0.01 0.00 0.00 54.79 53.45 2bqm n ASP 49 Cb 0.08 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.16 2bqm n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqm n ARG 50 N -0.13 -1.18 -3.92 0.11 1.74 0.50 -4.78 116.66 108.99 2bqm n ARG 50 Ca 0.00 0.77 -0.23 0.00 -0.77 0.00 0.00 57.85 57.62 2bqm n ARG 50 Cb 0.08 -5.08 -0.05 0.00 -1.02 0.00 0.00 32.46 26.39 2bqm n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqm s SER 51 N -2.39 4.77 0.02 0.55 1.04 -1.17 -4.54 113.70 111.99 2bqm s SER 51 Ca 0.00 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2bqm s SER 51 Cb 0.00 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 2bqm s SER 51 CO 0.00 -0.48 -0.09 -0.89 0.98 0.00 0.00 173.24 172.76 2bqm s THR 52 N -2.48 0.69 -0.17 2.02 2.01 -1.26 -0.40 115.64 116.05 2bqm s THR 52 Ca 0.42 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.64 2bqm s THR 52 Cb -0.01 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.81 2bqm s THR 52 CO 0.25 -0.03 0.12 -1.81 -0.69 0.00 0.00 174.62 172.45 2bqm s ASP 53 N -0.81 6.15 -0.06 3.53 1.01 0.18 -1.40 116.67 125.27 2bqm s ASP 53 Ca -0.01 0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.57 2bqm s ASP 53 Cb -0.06 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 2bqm s ASP 53 CO 0.00 0.24 -0.21 -0.31 0.21 0.00 0.00 175.17 175.10 2bqm s TYR 54 N -0.02 2.52 0.00 4.23 1.51 -0.00 -1.42 117.35 124.18 2bqm s TYR 54 Ca 0.09 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 2bqm s TYR 54 Cb -0.11 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2bqm s TYR 54 CO -0.00 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.77 2bqm n GLY 55 N 2.74 -1.64 0.35 0.71 0.00 0.48 -1.74 105.19 106.09 2bqm n GLY 55 Ca -0.17 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.61 2bqm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqm h ILE 56 N 0.00 0.99 -0.37 -0.61 2.10 -1.70 -1.45 117.51 116.47 2bqm h ILE 56 Ca 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 2bqm h ILE 56 Cb 0.00 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 36.04 2bqm h ILE 56 CO 0.00 0.11 0.00 0.49 -1.08 0.00 0.00 178.15 177.67 2bqm n PHE 57 N -4.48 0.48 -3.71 2.19 3.72 -1.26 -3.94 117.46 110.46 2bqm n PHE 57 Ca 0.10 -0.29 -0.30 0.00 -0.05 0.00 0.00 57.45 56.91 2bqm n PHE 57 Cb 0.25 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 2bqm n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqm n GLN 58 N 1.23 -1.11 -2.87 -1.08 1.13 -0.55 -4.91 117.38 109.23 2bqm n GLN 58 Ca 0.17 0.56 -0.41 0.00 -1.94 0.00 0.00 57.00 55.38 2bqm n GLN 58 Cb 0.54 -3.66 -0.04 0.00 0.11 0.00 0.00 30.24 27.19 2bqm n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqm s ILE 59 N -3.33 4.94 0.09 5.09 1.01 -0.71 -4.54 121.20 123.75 2bqm s ILE 59 Ca 0.34 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 2bqm s ILE 59 Cb -0.14 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 2bqm s ILE 59 CO 0.88 0.21 0.95 0.21 0.00 0.00 0.00 174.94 177.18 2bqm s ASN 60 N 0.87 7.46 0.37 3.58 3.84 -1.26 -0.82 114.94 128.97 2bqm s ASN 60 Ca 0.45 1.75 0.27 0.00 0.21 0.00 0.00 52.86 55.54 2bqm s ASN 60 Cb -0.20 -2.58 1.21 0.00 -0.55 0.00 0.00 41.25 39.14 2bqm s ASN 60 CO 0.23 -0.08 1.81 0.77 -2.79 0.00 0.00 177.10 177.04 2bqm h SER 61 N 5.74 0.00 0.80 -4.21 4.64 -1.45 -2.14 113.55 116.92 2bqm h SER 61 Ca -0.43 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.77 2bqm h SER 61 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2bqm h SER 61 CO 0.72 0.00 -0.57 -0.09 -0.87 0.00 0.00 176.83 176.02 2bqm h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.40 114.38 116.36 2bqm h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bqm h ARG 62 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2bqm h ARG 62 CO 0.00 0.57 -0.74 0.66 -1.51 0.00 0.00 179.97 178.95 2bqm n TYR 63 N -3.62 0.00 -0.08 2.20 4.01 -1.16 0.06 117.16 118.56 2bqm n TYR 63 Ca -0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2bqm n TYR 63 Cb 0.62 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.51 2bqm n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqm n TRP 64 N -1.88 0.00 -4.09 -0.72 7.02 -0.82 0.32 117.44 117.27 2bqm n TRP 64 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 2bqm n TRP 64 Cb 0.37 -0.85 -0.10 0.00 -2.42 0.00 0.00 31.31 28.31 2bqm n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqm s ASN 66 N -2.93 5.20 0.00 0.00 2.47 -0.21 -4.45 114.94 115.02 2bqm s ASN 66 Ca 0.08 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.30 2bqm s ASN 66 Cb 0.08 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 2bqm s ASN 66 CO -0.09 0.12 0.67 -0.90 -3.72 0.00 0.00 177.10 173.18 2bqm n ASP 67 N 3.88 1.26 0.00 -4.21 5.75 -1.26 -1.24 116.55 120.73 2bqm n ASP 67 Ca -0.17 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2bqm n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqm n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqm n GLY 68 N -0.21 1.31 0.82 6.12 0.00 -1.26 -4.69 105.19 107.27 2bqm n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2bqm n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqm n LYS 69 N 0.00 2.08 -3.18 1.61 2.85 -1.26 -4.88 118.16 115.39 2bqm n LYS 69 Ca 0.00 -1.62 -0.41 0.00 -1.05 0.00 0.00 58.31 55.23 2bqm n LYS 69 Cb 0.00 -1.45 -0.07 0.00 -0.65 0.00 0.00 35.03 32.86 2bqm n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqm s THR 70 N -1.71 4.99 0.30 0.58 2.01 -1.26 -4.98 115.64 115.57 2bqm s THR 70 Ca 0.35 0.77 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 2bqm s THR 70 Cb 0.20 -3.94 -0.12 0.00 0.01 0.00 0.00 72.50 68.65 2bqm s THR 70 CO 0.29 -0.09 1.47 -2.65 -0.69 0.00 0.00 174.62 172.95 2bqm n PRO 71 N 5.75 2.41 -4.05 4.92 -0.02 -1.26 -3.11 135.00 139.65 2bqm n PRO 71 Ca -0.03 0.85 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 2bqm n PRO 71 Cb 0.49 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 2bqm n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bqm n GLY 72 N 1.61 -0.41 3.96 -1.23 0.00 -1.26 -4.95 105.19 102.91 2bqm n GLY 72 Ca 0.07 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 2bqm n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqm s ALA 73 N -3.95 3.86 0.22 4.61 0.00 -1.18 -4.98 121.76 120.34 2bqm s ALA 73 Ca 0.16 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2bqm s ALA 73 Cb -0.07 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 2bqm s ALA 73 CO 0.93 -0.26 0.02 0.00 0.00 0.00 0.00 175.76 176.46 2bqm s ALA 74 N -2.44 1.62 -0.45 0.00 0.00 0.11 -5.00 121.76 115.60 2bqm s ALA 74 Ca 0.47 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 50.75 2bqm s ALA 74 Cb -0.10 0.65 0.19 0.00 0.00 0.00 0.00 23.12 23.86 2bqm s ALA 74 CO 0.36 -0.33 0.42 -1.71 0.00 0.00 0.00 175.76 174.50 2bqm n ASN 75 N -0.36 0.20 -0.09 0.00 5.15 -1.21 -3.70 115.26 115.24 2bqm n ASN 75 Ca -0.04 -2.58 -0.11 0.00 -0.60 0.00 0.00 54.58 51.25 2bqm n ASN 75 Cb 0.64 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.26 2bqm n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bqm h ALA 76 N 5.16 0.37 0.00 5.20 0.00 -0.27 -2.80 119.26 126.92 2bqm h ALA 76 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bqm h ALA 76 Cb 0.88 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2bqm h ALA 76 CO 0.45 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2bqm n ALA 77 N -2.36 2.11 -3.58 0.00 0.00 -1.01 -4.94 120.51 110.73 2bqm n ALA 77 Ca -0.03 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 2bqm n ALA 77 Cb 0.25 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.37 2bqm n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bqm n HIS 78 N -1.41 -2.05 -4.04 0.00 -0.00 -1.06 -4.93 115.22 101.73 2bqm n HIS 78 Ca 0.08 0.70 -0.08 0.00 -0.00 0.00 0.00 57.72 58.42 2bqm n HIS 78 Cb 0.23 -3.96 -0.10 0.00 -0.00 0.00 0.00 29.99 26.16 2bqm n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqm s LEU 79 N -6.28 2.32 0.32 2.41 1.43 -1.26 -5.06 118.68 112.55 2bqm s LEU 79 Ca 0.30 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 52.29 2bqm s LEU 79 Cb -0.08 0.27 -0.10 0.00 0.03 0.00 0.00 46.19 46.32 2bqm s LEU 79 CO 0.81 -0.55 0.90 -0.55 0.23 0.00 0.00 176.35 177.19 2bqm s SER 80 N -2.62 7.24 0.56 2.29 0.15 -1.26 -1.04 113.70 119.01 2bqm s SER 80 Ca 0.02 1.74 0.32 0.00 0.70 0.00 0.00 55.95 58.73 2bqm s SER 80 Cb 0.04 -2.54 1.65 0.00 -1.71 0.00 0.00 66.02 63.46 2bqm s SER 80 CO -0.08 -0.08 2.12 0.00 1.20 0.00 0.00 173.24 176.40 2bqm h SER 82 N 0.00 0.60 0.22 0.00 0.87 -1.92 -1.40 113.55 111.92 2bqm h SER 82 Ca -0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2bqm h SER 82 Cb 0.29 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2bqm h SER 82 CO 0.01 0.36 -0.07 0.00 -0.53 0.00 0.00 176.83 176.60 2bqm h ALA 83 N 1.62 1.35 -0.28 6.23 0.00 -1.82 -1.96 119.26 124.40 2bqm h ALA 83 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2bqm h ALA 83 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2bqm h ALA 83 CO -0.13 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.48 2bqm n LEU 84 N -3.67 1.53 -0.26 0.00 4.77 -0.53 -3.57 117.00 115.28 2bqm n LEU 84 Ca -0.02 -0.76 0.03 0.00 -0.03 0.00 0.00 56.01 55.23 2bqm n LEU 84 Cb 0.17 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2bqm n LEU 84 CO 0.28 0.38 0.56 0.18 -1.33 0.00 0.00 177.39 177.46 2bqm n LEU 85 N 0.33 2.41 -4.89 2.23 4.77 -0.73 -3.46 117.00 117.65 2bqm n LEU 85 Ca 0.10 -2.09 -0.30 0.00 -0.03 0.00 0.00 56.01 53.69 2bqm n LEU 85 Cb 0.25 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2bqm n LEU 85 CO 0.07 0.60 0.71 -1.10 -1.33 0.00 0.00 177.39 176.34 2bqm s GLN 86 N -1.16 2.96 0.17 3.23 -0.21 -1.23 -4.57 119.66 118.84 2bqm s GLN 86 Ca 0.11 0.43 0.03 0.00 0.02 0.00 0.00 55.36 55.95 2bqm s GLN 86 Cb 0.07 -2.07 -0.00 0.00 1.00 0.00 0.00 33.01 32.01 2bqm s GLN 86 CO 0.06 -0.92 1.38 -0.44 -2.12 0.00 0.00 175.29 173.25 2bqm h ASP 87 N -0.54 0.22 -3.23 5.90 3.32 -1.93 -3.42 116.42 116.74 2bqm h ASP 87 Ca -0.45 -0.18 -0.59 0.00 0.02 0.00 0.00 57.03 55.84 2bqm h ASP 87 Cb 1.25 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 2bqm h ASP 87 CO 0.63 0.99 0.64 0.21 -1.72 0.00 0.00 179.24 179.99 2bqm s ASN 88 N -6.91 6.92 -0.04 6.45 3.84 -1.26 -4.92 114.94 119.03 2bqm s ASN 88 Ca -0.02 1.12 0.09 0.00 0.21 0.00 0.00 52.86 54.26 2bqm s ASN 88 Cb 0.10 -2.49 0.33 0.00 -0.55 0.00 0.00 41.25 38.64 2bqm s ASN 88 CO 0.82 -0.64 1.20 2.30 -2.79 0.00 0.00 177.10 177.99 2bqm n ILE 89 N 5.40 0.72 -0.23 -5.21 -5.35 -1.26 -4.45 119.36 108.98 2bqm n ILE 89 Ca 0.09 -0.52 -0.01 0.00 -0.27 0.00 0.00 62.75 62.03 2bqm n ILE 89 Cb 0.47 0.03 0.10 0.00 -1.74 0.00 0.00 39.64 38.50 2bqm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqm h ALA 90 N 3.40 0.90 -0.26 -1.28 0.00 -1.95 0.85 119.26 120.92 2bqm h ALA 90 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2bqm h ALA 90 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2bqm h ALA 90 CO 0.07 0.05 -0.42 -0.44 0.00 0.00 0.00 179.25 178.51 2bqm h ASP 91 N 0.68 0.68 -0.31 0.00 3.32 -1.86 -1.38 116.42 117.54 2bqm h ASP 91 Ca 0.30 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 2bqm h ASP 91 Cb 0.20 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2bqm h ASP 91 CO -0.19 1.01 -0.09 0.00 -1.72 0.00 0.00 179.24 178.26 2bqm h ALA 92 N 1.02 1.07 -0.27 3.45 0.00 -1.67 -1.61 119.26 121.24 2bqm h ALA 92 Ca 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2bqm h ALA 92 Cb 0.95 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2bqm h ALA 92 CO 0.09 0.57 -0.12 0.28 0.00 0.00 0.00 179.25 180.07 2bqm h VAL 93 N 0.66 1.30 -0.71 0.00 2.07 -0.58 -0.86 116.25 118.13 2bqm h VAL 93 Ca 0.12 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2bqm h VAL 93 Cb 0.54 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2bqm h VAL 93 CO 0.03 0.38 0.44 0.00 0.02 0.00 0.00 177.57 178.43 2bqm h ALA 94 N 0.74 1.44 -0.17 1.67 0.00 -1.04 -1.34 119.26 120.56 2bqm h ALA 94 Ca 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2bqm h ALA 94 Cb 0.62 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bqm h ALA 94 CO 0.04 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.73 2bqm h ALA 95 N 1.52 0.24 -0.88 0.00 0.00 -1.12 -2.35 119.26 116.66 2bqm h ALA 95 Ca 0.26 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2bqm h ALA 95 Cb -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2bqm h ALA 95 CO -0.05 0.01 0.58 0.00 0.00 0.00 0.00 179.25 179.79 2bqm h ALA 96 N 0.71 1.49 -0.75 0.00 0.00 -0.78 -1.11 119.26 118.82 2bqm h ALA 96 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2bqm h ALA 96 Cb 0.50 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2bqm h ALA 96 CO 0.02 0.41 0.28 0.87 0.00 0.00 0.00 179.25 180.83 2bqm h LYS 97 N 1.05 1.13 -0.27 0.00 1.57 -1.13 -2.49 116.57 116.43 2bqm h LYS 97 Ca 0.36 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2bqm h LYS 97 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2bqm h LYS 97 CO -0.12 0.93 0.12 -0.09 -0.57 0.00 0.00 179.45 179.73 2bqm h ARG 98 N 1.09 0.40 -0.22 3.15 9.65 -0.81 -2.74 114.38 124.89 2bqm h ARG 98 Ca 0.25 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 2bqm h ARG 98 Cb 0.24 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.70 2bqm h ARG 98 CO -0.02 0.40 -0.10 0.28 2.80 0.00 0.00 179.97 183.34 2bqm h VAL 99 N 0.30 0.69 0.00 0.20 2.07 -0.92 -1.96 116.25 116.64 2bqm h VAL 99 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2bqm h VAL 99 Cb 0.14 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2bqm h VAL 99 CO -0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.91 2bqm n VAL 100 N -5.26 0.44 0.49 2.57 0.24 -0.96 -2.51 118.33 113.34 2bqm n VAL 100 Ca -0.02 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 2bqm n VAL 100 Cb 0.18 -0.80 0.45 0.00 -1.47 0.00 0.00 33.84 32.19 2bqm n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqm h ARG 101 N 0.00 0.00 -7.15 7.34 3.08 -1.04 -3.37 114.38 113.25 2bqm h ARG 101 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 2bqm h ARG 101 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.24 2bqm h ARG 101 CO 0.00 0.00 0.32 -0.51 -1.07 0.00 0.00 179.97 178.71 2bqm s ASP 102 N -4.52 6.50 0.44 7.04 1.11 -1.04 -4.98 116.67 121.22 2bqm s ASP 102 Ca 0.07 1.42 0.26 0.00 0.18 0.00 0.00 52.55 54.47 2bqm s ASP 102 Cb 0.10 -2.45 1.29 0.00 1.07 0.00 0.00 42.92 42.93 2bqm s ASP 102 CO 0.50 -0.61 1.75 1.55 1.18 0.00 0.00 175.17 179.54 2bqm h PRO 103 N 0.68 0.23 0.00 8.23 0.13 -1.89 -1.63 132.00 137.75 2bqm h PRO 103 Ca -0.46 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2bqm h PRO 103 Cb 1.19 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2bqm h PRO 103 CO 0.62 0.15 -0.13 1.96 -0.23 0.00 0.00 178.00 180.37 2bqm h GLN 104 N 0.23 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.02 2bqm h GLN 104 Ca 0.63 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.34 2bqm h GLN 104 Cb 1.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.71 2bqm h GLN 104 CO -0.24 0.13 0.00 0.41 -0.67 0.00 0.00 178.83 178.46 2bqm n GLY 105 N -0.93 1.76 0.21 3.46 0.00 -0.61 -2.21 105.19 106.87 2bqm n GLY 105 Ca -0.02 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.56 2bqm n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqm h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.91 -2.29 117.51 114.80 2bqm h ILE 106 Ca 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.74 2bqm h ILE 106 Cb 0.00 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 2bqm h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 2bqm n ARG 107 N -2.58 0.04 0.28 2.19 1.74 -0.94 -2.43 116.66 114.96 2bqm n ARG 107 Ca 0.00 0.39 0.14 0.00 -0.77 0.00 0.00 57.85 57.60 2bqm n ARG 107 Cb 0.17 -1.60 0.84 0.00 -1.02 0.00 0.00 32.46 30.86 2bqm n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqm h ALA 108 N 2.27 1.68 -2.68 7.54 0.00 -1.56 -3.37 119.26 123.14 2bqm h ALA 108 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2bqm h ALA 108 Cb 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.79 2bqm h ALA 108 CO 0.00 -0.04 -0.32 -1.58 0.00 0.00 0.00 179.25 177.31 2bqm s TRP 109 N -4.74 3.22 0.42 0.00 0.51 -1.02 -4.95 118.94 112.38 2bqm s TRP 109 Ca -0.05 0.10 0.08 0.00 -2.12 0.00 0.00 56.10 54.11 2bqm s TRP 109 Cb 0.16 -2.60 0.88 0.00 -0.81 0.00 0.00 33.47 31.10 2bqm s TRP 109 CO 0.58 -0.34 2.04 0.28 -0.51 0.00 0.00 176.95 178.99 2bqm h VAL 110 N 5.47 1.11 -0.14 4.03 2.07 -1.88 -1.26 116.25 125.65 2bqm h VAL 110 Ca -0.31 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2bqm h VAL 110 Cb 1.16 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2bqm h VAL 110 CO 0.66 0.12 0.06 0.00 0.02 0.00 0.00 177.57 178.43 2bqm h ALA 111 N 1.74 1.84 -0.50 1.67 0.00 -1.93 -2.36 119.26 119.73 2bqm h ALA 111 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2bqm h ALA 111 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2bqm h ALA 111 CO -0.02 0.13 0.00 2.35 0.00 0.00 0.00 179.25 181.72 2bqm h TRP 112 N 0.20 0.96 -0.22 0.00 7.01 -1.54 -0.87 115.95 121.50 2bqm h TRP 112 Ca 0.05 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.88 2bqm h TRP 112 Cb 0.03 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 2bqm h TRP 112 CO 0.00 0.90 0.10 0.00 -2.79 0.00 0.00 178.44 176.66 2bqm h ARG 113 N 0.75 0.32 -0.36 2.65 3.08 -1.48 0.14 114.38 119.49 2bqm h ARG 113 Ca 0.14 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2bqm h ARG 113 Cb 0.52 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2bqm h ARG 113 CO 0.03 0.34 0.02 -0.91 -1.07 0.00 0.00 179.97 178.38 2bqm h ASN 114 N 0.23 0.60 -0.00 7.04 2.35 -1.38 -3.34 115.58 121.07 2bqm h ASN 114 Ca 0.08 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2bqm h ASN 114 Cb 0.13 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2bqm h ASN 114 CO -0.01 0.74 -0.47 -2.11 -1.65 0.00 0.00 177.43 173.93 2bqm n ARG 115 N -4.52 3.38 0.00 0.81 0.00 -0.34 -4.87 116.66 111.11 2bqm n ARG 115 Ca -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2bqm n ARG 115 Cb 0.26 -1.01 0.00 0.00 -0.00 0.00 0.00 32.46 31.71 2bqm n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqm n GLN 117 N -2.69 2.16 -2.51 0.00 7.27 -0.29 -2.47 117.38 118.86 2bqm n GLN 117 Ca 0.00 0.76 -0.20 0.00 0.07 0.00 0.00 57.00 57.63 2bqm n GLN 117 Cb 0.48 -2.38 -0.00 0.00 2.41 0.00 0.00 30.24 30.74 2bqm n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqm n ASN 118 N 1.31 -5.54 -4.47 1.69 5.03 -1.26 -4.96 115.26 107.06 2bqm n ASN 118 Ca 0.07 -0.02 -0.22 0.00 0.87 0.00 0.00 54.58 55.28 2bqm n ASN 118 Cb 0.35 -4.60 -0.11 0.00 -1.02 0.00 0.00 39.78 34.40 2bqm n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqm s ARG 119 N -5.15 1.68 -0.50 3.52 0.52 -1.03 -5.09 118.95 112.90 2bqm s ARG 119 Ca 0.05 -1.93 -0.25 0.00 -0.52 0.00 0.00 55.73 53.08 2bqm s ARG 119 Cb -0.02 -0.96 0.03 0.00 0.52 0.00 0.00 34.95 34.52 2bqm s ARG 119 CO 0.06 -0.16 0.92 0.34 0.02 0.00 0.00 175.30 176.48 2bqm s ASP 120 N -3.51 6.42 0.00 0.23 -1.08 -1.26 -4.87 116.67 112.60 2bqm s ASP 120 Ca 0.36 -0.10 0.18 0.00 -0.52 0.00 0.00 52.55 52.47 2bqm s ASP 120 Cb 0.09 -2.44 0.41 0.00 -1.46 0.00 0.00 42.92 39.52 2bqm s ASP 120 CO 0.16 -1.12 1.34 1.33 0.52 0.00 0.00 175.17 177.39 2bqm n VAL 121 N 6.30 0.71 -0.17 1.11 0.24 -1.26 -4.57 118.33 120.70 2bqm n VAL 121 Ca 0.04 -0.86 0.11 0.00 -2.04 0.00 0.00 64.34 61.60 2bqm n VAL 121 Cb 0.48 0.75 0.44 0.00 -1.47 0.00 0.00 33.84 34.04 2bqm n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqm h ARG 122 N 3.51 0.54 -0.55 7.34 3.08 -1.92 -2.01 114.38 124.37 2bqm h ARG 122 Ca 0.00 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.18 2bqm h ARG 122 Cb 0.86 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 2bqm h ARG 122 CO 0.00 0.36 0.51 -0.56 -1.07 0.00 0.00 179.97 179.21 2bqm h GLN 123 N 0.56 0.00 0.00 0.04 3.07 -1.97 -1.75 115.11 115.06 2bqm h GLN 123 Ca 0.34 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 59.00 2bqm h GLN 123 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2bqm h GLN 123 CO -0.12 0.00 -0.41 1.88 0.09 0.00 0.00 178.83 180.28 2bqm h TYR 124 N 0.00 0.00 -0.03 0.06 0.05 -1.70 -3.31 116.97 112.04 2bqm h TYR 124 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 2bqm h TYR 124 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 2bqm h TYR 124 CO 0.00 0.41 0.00 1.33 -1.05 0.00 0.00 178.16 178.85 2bqm n VAL 125 N -3.57 0.24 -1.91 -2.88 0.24 -0.72 -4.82 118.33 104.90 2bqm n VAL 125 Ca -0.00 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 2bqm n VAL 125 Cb 0.52 0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 2bqm n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqm s GLN 126 N -0.49 4.19 0.00 7.34 2.00 -0.82 -2.43 119.66 129.44 2bqm s GLN 126 Ca 0.06 2.34 0.00 0.00 -2.00 0.00 0.00 55.36 55.75 2bqm s GLN 126 Cb 0.04 -3.74 0.00 0.00 0.80 0.00 0.00 33.01 30.10 2bqm s GLN 126 CO 0.05 -0.79 0.00 0.41 -0.50 0.00 0.00 175.29 174.47 2bqm n GLY 127 N 4.09 0.82 0.01 2.59 0.00 -1.26 -4.94 105.19 106.49 2bqm n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2bqm n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqm n GLY 129 N 1.48 0.39 0.22 0.00 0.00 -1.26 -4.84 105.19 101.18 2bqm n GLY 129 Ca 0.06 -0.92 0.03 0.00 0.00 0.00 0.00 46.02 45.19 2bqm n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65