#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqe s VAL 2 N 0.00 4.15 0.60 3.15 1.01 -1.26 -1.08 120.40 126.97 2bqe s VAL 2 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 61.98 60.61 2bqe s VAL 2 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2bqe s VAL 2 CO 0.00 -0.35 1.11 -0.36 0.00 0.00 0.00 175.10 175.51 2bqe s PHE 3 N 1.44 2.67 0.23 5.22 0.40 -0.24 -5.00 117.98 122.70 2bqe s PHE 3 Ca 0.01 1.55 -0.13 0.00 -0.60 0.00 0.00 56.93 57.76 2bqe s PHE 3 Cb -0.21 -3.21 -0.08 0.00 0.51 0.00 0.00 43.02 40.03 2bqe s PHE 3 CO 0.03 -1.60 0.61 -1.21 0.70 0.00 0.00 175.22 173.75 2bqe s GLU 4 N -3.74 3.94 0.07 0.44 2.02 -1.26 -4.88 118.70 115.29 2bqe s GLU 4 Ca 0.69 0.48 -0.15 0.00 0.02 0.00 0.00 54.97 56.01 2bqe s GLU 4 Cb -0.22 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 2bqe s GLU 4 CO 0.35 0.33 1.26 -0.09 0.02 0.00 0.00 175.26 177.12 2bqe h ARG 5 N 2.81 -0.09 -0.19 1.61 2.43 -1.96 -1.04 114.38 117.94 2bqe h ARG 5 Ca -0.48 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 2bqe h ARG 5 Cb 1.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2bqe h ARG 5 CO 0.67 -0.06 -0.10 0.00 -1.51 0.00 0.00 179.97 178.97 2bqe h GLU 7 N 0.29 0.50 -0.51 0.00 4.81 -1.82 -1.83 114.58 116.02 2bqe h GLU 7 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2bqe h GLU 7 Cb 0.37 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2bqe h GLU 7 CO 0.02 0.33 0.21 1.25 -0.73 0.00 0.00 179.01 180.09 2bqe h LEU 8 N 0.52 0.69 -0.26 1.64 5.85 -0.65 -2.28 115.31 120.82 2bqe h LEU 8 Ca 0.15 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2bqe h LEU 8 Cb -0.03 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 2bqe h LEU 8 CO -0.05 0.66 -0.14 0.00 -0.34 0.00 0.00 178.44 178.58 2bqe h ALA 9 N 1.06 0.07 -0.60 1.25 0.00 -0.88 0.11 119.26 120.26 2bqe h ALA 9 Ca 0.17 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2bqe h ALA 9 Cb 0.18 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2bqe h ALA 9 CO -0.02 -0.54 0.13 0.00 0.00 0.00 0.00 179.25 178.82 2bqe h ARG 10 N -0.10 0.95 -0.50 0.00 3.08 -1.31 -1.87 114.38 114.62 2bqe h ARG 10 Ca 0.14 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2bqe h ARG 10 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2bqe h ARG 10 CO -0.33 0.86 0.11 1.15 -1.07 0.00 0.00 179.97 180.69 2bqe h THR 11 N 0.91 1.24 -0.23 2.04 2.02 -0.73 -1.57 112.91 116.60 2bqe h THR 11 Ca 0.19 -0.88 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 2bqe h THR 11 Cb 0.35 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2bqe h THR 11 CO 0.00 0.32 -0.28 -0.07 0.37 0.00 0.00 175.52 175.86 2bqe h LEU 12 N 0.70 0.45 -0.28 2.58 3.38 -0.65 -2.30 115.31 119.19 2bqe h LEU 12 Ca 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2bqe h LEU 12 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2bqe h LEU 12 CO 0.00 0.72 0.07 0.50 0.09 0.00 0.00 178.44 179.82 2bqe h LYS 13 N 0.39 0.45 -0.08 1.13 3.64 -1.07 -2.23 116.57 118.80 2bqe h LYS 13 Ca 0.06 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2bqe h LYS 13 Cb 0.69 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2bqe h LYS 13 CO 0.05 0.54 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.62 2bqe h ARG 14 N 0.29 0.12 -0.09 1.90 2.43 -1.11 -1.61 114.38 116.31 2bqe h ARG 14 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2bqe h ARG 14 Cb 0.29 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2bqe h ARG 14 CO 0.00 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 179.93 2bqe n LEU 15 N -4.40 0.64 -1.17 3.80 4.77 -0.88 -4.92 117.00 114.83 2bqe n LEU 15 Ca -0.02 -0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 55.60 2bqe n LEU 15 Cb 0.17 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2bqe n LEU 15 CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2bqe n GLY 16 N 0.83 0.29 0.09 -0.72 0.00 -0.61 -4.97 105.19 100.12 2bqe n GLY 16 Ca 0.11 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.71 2bqe n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2bqe n MET 17 N -1.82 0.62 -1.86 1.61 2.81 -0.88 -4.55 117.12 113.04 2bqe n MET 17 Ca -0.04 0.11 -0.41 0.00 -1.81 0.00 0.00 57.70 55.55 2bqe n MET 17 Cb 0.54 -1.77 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 2bqe n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2bqe s ASP 18 N -5.40 5.47 0.00 7.83 2.15 -1.26 -1.51 116.67 123.95 2bqe s ASP 18 Ca -0.03 1.20 0.00 0.00 0.43 0.00 0.00 52.55 54.16 2bqe s ASP 18 Cb 0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2bqe s ASP 18 CO 0.82 -2.06 0.00 0.61 -0.17 0.00 0.00 175.17 174.37 2bqe n GLY 19 N 5.63 0.66 3.67 2.66 0.00 0.72 -4.89 105.19 113.63 2bqe n GLY 19 Ca 0.26 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2bqe n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqe s TYR 20 N -2.00 2.03 -1.52 1.61 5.04 -0.57 -1.95 117.35 120.00 2bqe s TYR 20 Ca 0.00 0.12 -0.13 0.00 -2.44 0.00 0.00 57.07 54.62 2bqe s TYR 20 Cb 0.00 -3.99 0.09 0.00 0.35 0.00 0.00 41.96 38.40 2bqe s TYR 20 CO 0.00 -4.17 0.85 0.54 -1.34 0.00 0.00 175.55 171.43 2bqe n ARG 21 N 6.59 -4.81 -1.00 4.97 5.12 -1.26 -1.05 116.66 125.21 2bqe n ARG 21 Ca 0.17 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 2bqe n ARG 21 Cb 0.42 -5.41 0.00 0.00 -1.16 0.00 0.00 32.46 26.31 2bqe n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqe n GLY 22 N -1.55 0.61 3.50 -0.13 0.00 -0.82 -5.00 105.19 101.80 2bqe n GLY 22 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2bqe n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqe s ILE 23 N -2.48 5.22 0.78 -0.61 1.01 -0.22 -4.91 121.20 120.01 2bqe s ILE 23 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 2bqe s ILE 23 Cb 0.00 -3.77 0.07 0.00 0.01 0.00 0.00 42.46 38.77 2bqe s ILE 23 CO 0.00 -0.12 1.13 -0.94 0.00 0.00 0.00 174.94 175.01 2bqe s SER 24 N 1.70 4.11 0.23 3.58 1.04 -1.26 -0.20 113.70 122.90 2bqe s SER 24 Ca 0.05 2.06 -0.08 0.00 0.48 0.00 0.00 55.95 58.47 2bqe s SER 24 Cb -0.18 -2.55 0.21 0.00 0.10 0.00 0.00 66.02 63.60 2bqe s SER 24 CO 0.10 -2.31 1.90 0.25 0.98 0.00 0.00 173.24 174.16 2bqe h LEU 25 N -0.97 1.06 -1.60 2.42 5.85 -1.90 -1.75 115.31 118.41 2bqe h LEU 25 Ca -0.45 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.33 2bqe h LEU 25 Cb 1.26 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2bqe h LEU 25 CO 0.49 0.79 0.42 0.00 -0.34 0.00 0.00 178.44 179.80 2bqe h ALA 26 N 1.31 1.99 -0.14 1.25 0.00 -1.92 -0.31 119.26 121.44 2bqe h ALA 26 Ca 0.33 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 2bqe h ALA 26 Cb -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2bqe h ALA 26 CO -0.07 -0.13 -0.80 -0.91 0.00 0.00 0.00 179.25 177.34 2bqe h ASN 27 N 0.45 0.95 -0.40 0.00 2.35 -1.65 -1.27 115.58 116.00 2bqe h ASN 27 Ca 0.29 -0.63 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 2bqe h ASN 27 Cb 0.54 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2bqe h ASN 27 CO -0.08 1.44 0.04 -0.50 -1.65 0.00 0.00 177.43 176.68 2bqe h TRP 28 N 0.53 0.80 -0.42 1.19 4.06 -0.96 -1.43 115.95 119.72 2bqe h TRP 28 Ca -0.06 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.72 2bqe h TRP 28 Cb 1.44 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 2bqe h TRP 28 CO 0.09 0.72 -0.02 0.52 -3.56 0.00 0.00 178.44 176.18 2bqe h MET 29 N 0.72 0.75 -0.79 0.49 2.86 -1.01 -1.44 114.93 116.51 2bqe h MET 29 Ca 0.15 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2bqe h MET 29 Cb 0.38 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2bqe h MET 29 CO 0.01 0.84 0.37 0.00 1.06 0.00 0.00 176.91 179.20 2bqe h LEU 31 N 1.13 -0.25 -0.78 0.00 5.85 -1.00 -2.83 115.31 117.44 2bqe h LEU 31 Ca 0.27 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2bqe h LEU 31 Cb 0.13 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2bqe h LEU 31 CO -0.03 -0.04 0.50 0.00 -0.34 0.00 0.00 178.44 178.53 2bqe h ALA 32 N 0.29 1.01 -0.10 1.25 0.00 -1.13 -0.45 119.26 120.13 2bqe h ALA 32 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2bqe h ALA 32 Cb 0.34 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2bqe h ALA 32 CO 0.05 0.33 -0.14 -0.22 0.00 0.00 0.00 179.25 179.27 2bqe h LYS 33 N 0.99 -0.17 0.00 0.00 1.63 -1.24 -0.55 116.57 117.22 2bqe h LYS 33 Ca 0.30 0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.97 2bqe h LYS 33 Cb -0.02 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2bqe h LYS 33 CO -0.10 -0.12 -0.69 -1.49 -3.45 0.00 0.00 179.45 173.60 2bqe h TRP 34 N -0.18 0.00 0.02 1.91 4.06 -1.36 -0.68 115.95 119.72 2bqe h TRP 34 Ca 0.08 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.89 2bqe h TRP 34 Cb 0.30 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.47 2bqe h TRP 34 CO -0.24 0.69 -0.57 0.93 -3.56 0.00 0.00 178.44 175.68 2bqe h GLU 35 N 0.00 0.35 0.00 0.49 4.39 -0.92 -3.42 114.58 115.47 2bqe h GLU 35 Ca -0.01 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2bqe h GLU 35 Cb 1.52 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 2bqe h GLU 35 CO 0.09 1.10 0.00 -1.13 -1.16 0.00 0.00 179.01 177.91 2bqe n SER 36 N -4.25 0.02 -0.98 1.42 3.41 -0.28 -4.86 113.62 108.09 2bqe n SER 36 Ca -0.11 -0.18 -0.08 0.00 -0.26 0.00 0.00 58.87 58.25 2bqe n SER 36 Cb 0.67 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 2bqe n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqe n GLY 37 N 0.17 0.13 2.30 5.00 0.00 -0.26 -3.09 105.19 109.44 2bqe n GLY 37 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 2bqe n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqe n TYR 38 N -3.90 -0.75 -3.78 1.61 4.01 -1.20 -4.79 117.16 108.36 2bqe n TYR 38 Ca -0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.31 2bqe n TYR 38 Cb 0.56 -3.23 -0.13 0.00 -0.31 0.00 0.00 39.34 36.23 2bqe n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqe s ASN 39 N -2.30 4.98 0.50 7.72 2.47 -1.18 -1.08 114.94 126.06 2bqe s ASN 39 Ca 0.00 -0.36 0.29 0.00 0.42 0.00 0.00 52.86 53.21 2bqe s ASN 39 Cb -0.00 -1.88 1.23 0.00 -1.45 0.00 0.00 41.25 39.14 2bqe s ASN 39 CO 0.00 -0.07 1.94 0.71 -3.72 0.00 0.00 177.10 175.96 2bqe h THR 40 N 5.65 0.31 -0.45 -5.21 1.35 -1.43 -3.00 112.91 110.14 2bqe h THR 40 Ca -0.37 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2bqe h THR 40 Cb 1.16 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2bqe h THR 40 CO 0.59 0.11 0.00 -2.11 -0.25 0.00 0.00 175.52 173.86 2bqe n ARG 41 N -3.29 2.39 -1.75 4.72 1.85 -1.26 -4.07 116.66 115.24 2bqe n ARG 41 Ca -0.00 -2.12 -0.42 0.00 -1.00 0.00 0.00 57.85 54.31 2bqe n ARG 41 Cb 0.34 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 2bqe n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqe s ALA 42 N -1.41 3.90 0.02 2.89 0.00 -1.13 -4.79 121.76 121.23 2bqe s ALA 42 Ca 0.39 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.92 2bqe s ALA 42 Cb 0.22 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2bqe s ALA 42 CO 0.30 -0.95 -0.07 0.95 0.00 0.00 0.00 175.76 175.99 2bqe s THR 43 N 1.40 0.51 -0.11 0.00 -4.23 -1.26 -0.58 115.64 111.37 2bqe s THR 43 Ca 0.75 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 2bqe s THR 43 Cb -0.48 -0.51 0.05 0.00 1.34 0.00 0.00 72.50 72.90 2bqe s THR 43 CO 0.32 -0.15 0.17 0.21 -0.54 0.00 0.00 174.62 174.64 2bqe s ASN 44 N -0.93 0.88 -0.09 3.99 2.47 -0.48 -4.97 114.94 115.82 2bqe s ASN 44 Ca -0.04 0.24 -0.22 0.00 0.42 0.00 0.00 52.86 53.25 2bqe s ASN 44 Cb -0.06 0.29 -0.04 0.00 -1.45 0.00 0.00 41.25 39.99 2bqe s ASN 44 CO 0.00 -0.26 0.66 -0.47 -3.72 0.00 0.00 177.10 173.31 2bqe s TYR 45 N 2.30 3.55 -0.61 0.43 5.04 -1.26 -0.39 117.35 126.40 2bqe s TYR 45 Ca 0.03 1.16 -0.15 0.00 -2.44 0.00 0.00 57.07 55.67 2bqe s TYR 45 Cb -0.13 -2.76 0.15 0.00 0.35 0.00 0.00 41.96 39.57 2bqe s TYR 45 CO -0.07 0.07 0.57 -0.80 -1.34 0.00 0.00 175.55 173.98 2bqe s ASN 46 N 0.80 6.32 0.46 4.32 0.01 0.99 -4.92 114.94 122.92 2bqe s ASN 46 Ca 0.35 -2.03 0.11 0.00 -0.71 0.00 0.00 52.86 50.58 2bqe s ASN 46 Cb -0.17 -2.20 1.03 0.00 0.41 0.00 0.00 41.25 40.32 2bqe s ASN 46 CO 0.16 -0.78 2.10 0.00 -1.51 0.00 0.00 177.10 177.07 2bqe h ALA 47 N 8.59 1.83 -0.70 0.60 0.00 -1.95 0.16 119.26 127.78 2bqe h ALA 47 Ca -0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2bqe h ALA 47 Cb 1.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2bqe h ALA 47 CO 0.96 0.16 0.22 0.78 0.00 0.00 0.00 179.25 181.37 2bqe h GLY 48 N 0.32 1.16 -0.11 0.00 0.00 -1.95 -3.30 103.07 99.19 2bqe h GLY 48 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2bqe h GLY 48 CO -0.02 0.63 0.00 2.09 0.00 0.00 0.00 176.54 179.24 2bqe n ASP 49 N -4.26 1.41 -1.66 0.19 5.75 -1.15 -5.03 116.55 111.81 2bqe n ASP 49 Ca 0.06 -1.35 -0.15 0.00 -0.01 0.00 0.00 54.79 53.34 2bqe n ASP 49 Cb 0.22 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 2bqe n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqe n ARG 50 N -0.08 -1.17 -4.25 0.11 1.74 0.55 -4.77 116.66 108.80 2bqe n ARG 50 Ca 0.01 0.72 -0.24 0.00 -0.77 0.00 0.00 57.85 57.56 2bqe n ARG 50 Cb 0.10 -5.03 -0.08 0.00 -1.02 0.00 0.00 32.46 26.44 2bqe n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqe s SER 51 N -2.35 4.33 -0.00 0.55 1.04 -1.15 -4.40 113.70 111.73 2bqe s SER 51 Ca 0.00 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 55.47 2bqe s SER 51 Cb 0.00 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.56 2bqe s SER 51 CO 0.00 -0.34 -0.08 -0.89 0.98 0.00 0.00 173.24 172.91 2bqe s THR 52 N -2.53 0.62 -0.15 2.02 2.01 -1.26 -0.00 115.64 116.35 2bqe s THR 52 Ca 0.37 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 2bqe s THR 52 Cb 0.01 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 2bqe s THR 52 CO 0.21 0.15 0.30 -1.81 -0.69 0.00 0.00 174.62 172.78 2bqe s ASP 53 N -0.25 6.46 -0.04 3.53 1.01 0.48 -1.58 116.67 126.28 2bqe s ASP 53 Ca 0.03 0.54 0.06 0.00 0.71 0.00 0.00 52.55 53.89 2bqe s ASP 53 Cb -0.03 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 2bqe s ASP 53 CO -0.00 0.12 -0.23 -0.31 0.21 0.00 0.00 175.17 174.95 2bqe s TYR 54 N 0.35 2.46 0.00 4.23 1.51 0.15 -1.38 117.35 124.67 2bqe s TYR 54 Ca 0.17 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 2bqe s TYR 54 Cb -0.13 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2bqe s TYR 54 CO 0.05 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 2bqe n GLY 55 N 2.65 -2.14 0.36 0.71 0.00 0.25 -1.98 105.19 105.04 2bqe n GLY 55 Ca -0.17 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.54 2bqe n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqe h ILE 56 N -0.00 0.86 -0.23 -0.61 2.10 -1.70 -1.32 117.51 116.60 2bqe h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2bqe h ILE 56 Cb 0.00 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 36.26 2bqe h ILE 56 CO 0.00 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.62 2bqe n PHE 57 N -4.46 0.29 -3.64 2.19 3.72 -1.26 -4.03 117.46 110.27 2bqe n PHE 57 Ca 0.10 -0.20 -0.28 0.00 -0.05 0.00 0.00 57.45 57.02 2bqe n PHE 57 Cb 0.42 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 2bqe n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqe n GLN 58 N 1.06 -1.22 -2.85 -1.08 1.13 -0.50 -4.94 117.38 108.98 2bqe n GLN 58 Ca 0.14 0.60 -0.41 0.00 -1.94 0.00 0.00 57.00 55.39 2bqe n GLN 58 Cb 0.48 -3.98 -0.04 0.00 0.11 0.00 0.00 30.24 26.81 2bqe n GLN 58 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2bqe s VAL 59 N -3.34 4.71 0.12 5.09 1.01 -0.84 -4.56 120.40 122.59 2bqe s VAL 59 Ca 0.36 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 2bqe s VAL 59 Cb -0.13 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2bqe s VAL 59 CO 0.86 0.30 0.95 0.21 0.00 0.00 0.00 175.10 177.42 2bqe s ASN 60 N 0.25 7.50 0.05 3.32 3.84 -1.26 -0.67 114.94 127.97 2bqe s ASN 60 Ca 0.44 1.79 0.17 0.00 0.21 0.00 0.00 52.86 55.47 2bqe s ASN 60 Cb -0.21 -2.58 0.72 0.00 -0.55 0.00 0.00 41.25 38.63 2bqe s ASN 60 CO 0.26 -0.05 1.54 -1.54 -2.79 0.00 0.00 177.10 174.52 2bqe n SER 61 N 2.70 0.15 0.11 -4.21 3.41 -0.62 -1.68 113.62 113.48 2bqe n SER 61 Ca 0.02 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.14 2bqe n SER 61 Cb 0.49 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 2bqe n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqe h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.84 -3.40 114.38 115.90 2bqe h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bqe h ARG 62 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2bqe h ARG 62 CO 0.00 0.73 -0.74 0.66 -1.51 0.00 0.00 179.97 179.11 2bqe n TYR 63 N -3.40 0.00 -0.03 2.20 4.01 -1.15 -0.40 117.16 118.40 2bqe n TYR 63 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2bqe n TYR 63 Cb 0.79 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.70 2bqe n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqe n TRP 64 N -1.71 0.00 -3.90 -0.72 7.02 -0.67 -0.29 117.44 117.16 2bqe n TRP 64 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2bqe n TRP 64 Cb 0.37 -0.46 -0.09 0.00 -2.42 0.00 0.00 31.31 28.72 2bqe n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqe s ASN 66 N -2.38 5.79 0.00 0.00 2.47 -0.19 -4.38 114.94 116.24 2bqe s ASN 66 Ca -0.01 0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.34 2bqe s ASN 66 Cb 0.01 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 2bqe s ASN 66 CO -0.07 0.12 0.70 -0.90 -3.72 0.00 0.00 177.10 173.23 2bqe n ASP 67 N 3.93 1.37 0.00 -4.21 5.75 -1.26 -1.86 116.55 120.27 2bqe n ASP 67 Ca -0.16 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 2bqe n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqe n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqe n GLY 68 N -0.22 1.65 1.27 6.12 0.00 -1.26 -4.70 105.19 108.04 2bqe n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2bqe n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqe n LYS 69 N -0.32 2.71 -3.37 1.61 2.85 -1.26 -4.92 118.16 115.47 2bqe n LYS 69 Ca 0.00 -2.57 -0.40 0.00 -1.05 0.00 0.00 58.31 54.30 2bqe n LYS 69 Cb 0.00 -1.53 -0.09 0.00 -0.65 0.00 0.00 35.03 32.76 2bqe n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqe s THR 70 N -1.05 5.15 0.64 0.58 2.01 -1.26 -4.96 115.64 116.75 2bqe s THR 70 Ca 0.45 0.51 -0.18 0.00 0.31 0.00 0.00 61.69 62.79 2bqe s THR 70 Cb 0.24 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2bqe s THR 70 CO 0.32 0.09 1.07 -2.65 -0.69 0.00 0.00 174.62 172.76 2bqe n PRO 71 N 5.39 0.89 -4.49 4.92 -0.02 -1.26 -3.03 135.00 137.40 2bqe n PRO 71 Ca -0.08 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2bqe n PRO 71 Cb 0.50 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 2bqe n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bqe n GLY 72 N 1.14 -0.40 3.90 -1.23 0.00 -1.26 -4.92 105.19 102.42 2bqe n GLY 72 Ca 0.15 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 2bqe n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqe s ALA 73 N -3.22 3.30 0.06 4.61 0.00 -1.17 -4.99 121.76 120.35 2bqe s ALA 73 Ca 0.82 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 2bqe s ALA 73 Cb -0.48 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2bqe s ALA 73 CO 1.00 -0.53 -0.04 0.08 0.00 0.00 0.00 175.76 176.27 2bqe s VAL 74 N -2.91 0.34 -0.57 0.00 1.01 0.47 -5.03 120.40 113.71 2bqe s VAL 74 Ca 0.51 -1.75 0.04 0.00 0.00 0.00 0.00 61.98 60.77 2bqe s VAL 74 Cb -0.11 -1.44 0.15 0.00 0.00 0.00 0.00 36.38 34.98 2bqe s VAL 74 CO 0.47 -0.91 0.35 0.21 0.00 0.00 0.00 175.10 175.22 2bqe s ASN 75 N -2.80 4.16 -0.00 3.32 3.84 -1.26 -3.77 114.94 118.42 2bqe s ASN 75 Ca 0.06 -3.27 -0.25 0.00 0.21 0.00 0.00 52.86 49.61 2bqe s ASN 75 Cb 0.05 -1.43 -0.17 0.00 -0.55 0.00 0.00 41.25 39.16 2bqe s ASN 75 CO -0.08 -0.18 1.21 0.00 -2.79 0.00 0.00 177.10 175.27 2bqe h ALA 76 N 6.05 -0.30 0.00 1.71 0.00 -0.87 -3.13 119.26 122.72 2bqe h ALA 76 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2bqe h ALA 76 Cb 0.85 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2bqe h ALA 76 CO 0.64 -0.47 -0.11 0.00 0.00 0.00 0.00 179.25 179.31 2bqe h ALA 77 N -0.05 1.01 -2.28 0.00 0.00 -1.72 -3.47 119.26 112.75 2bqe h ALA 77 Ca -0.03 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 2bqe h ALA 77 Cb 0.48 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bqe h ALA 77 CO 0.05 0.14 -0.34 0.72 0.00 0.00 0.00 179.25 179.82 2bqe n HIS 78 N -3.24 -0.86 -4.01 0.00 -0.00 -1.19 -5.04 115.22 100.88 2bqe n HIS 78 Ca 0.01 0.14 -0.22 0.00 -0.00 0.00 0.00 57.72 57.65 2bqe n HIS 78 Cb 0.38 -2.93 -0.05 0.00 -0.00 0.00 0.00 29.99 27.39 2bqe n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqe s LEU 79 N -3.87 3.52 0.02 2.41 1.43 -1.26 -5.00 118.68 115.93 2bqe s LEU 79 Ca 0.08 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 2bqe s LEU 79 Cb -0.04 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 2bqe s LEU 79 CO 0.10 -0.23 0.57 -0.55 0.23 0.00 0.00 176.35 176.48 2bqe s SER 80 N -3.89 7.00 0.64 2.29 0.15 -1.26 -1.02 113.70 117.61 2bqe s SER 80 Ca 0.37 1.18 0.40 0.00 0.70 0.00 0.00 55.95 58.61 2bqe s SER 80 Cb -0.06 -2.36 2.24 0.00 -1.71 0.00 0.00 66.02 64.14 2bqe s SER 80 CO 0.24 0.18 2.34 0.00 1.20 0.00 0.00 173.24 177.20 2bqe h SER 82 N 0.00 0.91 0.04 0.00 0.87 -1.92 -2.30 113.55 111.15 2bqe h SER 82 Ca -0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2bqe h SER 82 Cb 0.00 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2bqe h SER 82 CO 0.00 0.63 -0.01 0.00 -0.53 0.00 0.00 176.83 176.92 2bqe h ALA 83 N 1.50 1.39 -0.37 6.23 0.00 -1.65 -1.79 119.26 124.57 2bqe h ALA 83 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2bqe h ALA 83 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bqe h ALA 83 CO -0.10 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.45 2bqe n LEU 84 N -3.66 2.47 -0.18 0.00 4.77 -0.86 -3.65 117.00 115.88 2bqe n LEU 84 Ca -0.03 -1.24 0.02 0.00 -0.03 0.00 0.00 56.01 54.73 2bqe n LEU 84 Cb 0.10 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2bqe n LEU 84 CO 0.26 0.51 0.46 0.18 -1.33 0.00 0.00 177.39 177.47 2bqe n LEU 85 N 0.57 1.95 -4.80 2.23 4.77 -0.67 -3.43 117.00 117.63 2bqe n LEU 85 Ca 0.14 -1.66 -0.29 0.00 -0.03 0.00 0.00 56.01 54.16 2bqe n LEU 85 Cb 0.44 -0.05 0.12 0.00 -2.33 0.00 0.00 43.42 41.60 2bqe n LEU 85 CO 0.11 0.48 0.72 -1.10 -1.33 0.00 0.00 177.39 176.26 2bqe s GLN 86 N -0.76 1.56 0.17 3.23 -0.21 -1.24 -4.55 119.66 117.86 2bqe s GLN 86 Ca 0.06 0.43 0.12 0.00 0.02 0.00 0.00 55.36 55.99 2bqe s GLN 86 Cb 0.03 -1.88 -0.09 0.00 1.00 0.00 0.00 33.01 32.08 2bqe s GLN 86 CO 0.05 -1.94 1.25 -0.44 -2.12 0.00 0.00 175.29 172.09 2bqe h ASP 87 N -1.31 0.00 -3.50 5.90 3.32 -1.93 -3.42 116.42 115.47 2bqe h ASP 87 Ca -0.49 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.97 2bqe h ASP 87 Cb 1.31 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.76 2bqe h ASP 87 CO 0.61 0.75 0.62 0.21 -1.72 0.00 0.00 179.24 179.70 2bqe s ASN 88 N -6.45 6.67 -0.03 6.45 3.84 -1.26 -4.94 114.94 119.22 2bqe s ASN 88 Ca 0.01 0.56 0.06 0.00 0.21 0.00 0.00 52.86 53.71 2bqe s ASN 88 Cb 0.09 -2.47 0.22 0.00 -0.55 0.00 0.00 41.25 38.54 2bqe s ASN 88 CO 0.79 -0.88 1.05 2.30 -2.79 0.00 0.00 177.10 177.57 2bqe n ILE 89 N 6.02 0.53 -0.28 -5.21 -5.35 -1.26 -4.39 119.36 109.42 2bqe n ILE 89 Ca 0.07 -0.36 0.01 0.00 -0.27 0.00 0.00 62.75 62.20 2bqe n ILE 89 Cb 0.48 -0.09 0.14 0.00 -1.74 0.00 0.00 39.64 38.43 2bqe n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqe h ALA 90 N 3.09 1.10 -0.11 -1.28 0.00 -1.94 -0.69 119.26 119.43 2bqe h ALA 90 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2bqe h ALA 90 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bqe h ALA 90 CO 0.06 0.17 -0.65 -0.44 0.00 0.00 0.00 179.25 178.39 2bqe h ASP 91 N 0.85 0.50 -0.49 0.00 3.32 -1.85 -1.90 116.42 116.84 2bqe h ASP 91 Ca 0.36 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2bqe h ASP 91 Cb 0.22 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2bqe h ASP 91 CO -0.19 1.02 0.08 0.00 -1.72 0.00 0.00 179.24 178.43 2bqe h ALA 92 N 0.98 1.12 -0.30 3.45 0.00 -1.70 -1.23 119.26 121.58 2bqe h ALA 92 Ca -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2bqe h ALA 92 Cb 1.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2bqe h ALA 92 CO 0.11 0.58 -0.10 0.28 0.00 0.00 0.00 179.25 180.12 2bqe h VAL 93 N 0.82 1.28 -0.87 0.00 2.07 -1.04 -0.86 116.25 117.66 2bqe h VAL 93 Ca 0.17 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2bqe h VAL 93 Cb 0.37 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2bqe h VAL 93 CO 0.01 0.37 0.47 0.00 0.02 0.00 0.00 177.57 178.43 2bqe h ALA 94 N 0.78 1.18 -0.23 1.67 0.00 -1.07 -1.13 119.26 120.46 2bqe h ALA 94 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2bqe h ALA 94 Cb 0.60 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2bqe h ALA 94 CO 0.03 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 2bqe h ALA 95 N 1.29 0.31 -0.99 0.00 0.00 -1.12 -2.39 119.26 116.36 2bqe h ALA 95 Ca 0.31 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2bqe h ALA 95 Cb 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2bqe h ALA 95 CO -0.05 0.05 0.65 0.00 0.00 0.00 0.00 179.25 179.91 2bqe h ALA 96 N 0.79 1.34 -0.61 0.00 0.00 -0.90 -1.19 119.26 118.69 2bqe h ALA 96 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2bqe h ALA 96 Cb 0.43 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2bqe h ALA 96 CO 0.01 0.58 0.15 0.87 0.00 0.00 0.00 179.25 180.86 2bqe h LYS 97 N 1.28 0.95 -0.38 0.00 1.57 -1.08 -2.70 116.57 116.21 2bqe h LYS 97 Ca 0.39 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2bqe h LYS 97 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2bqe h LYS 97 CO -0.11 0.85 0.07 -0.09 -0.57 0.00 0.00 179.45 179.60 2bqe h ARG 98 N 0.91 0.62 -0.29 3.15 9.65 -0.88 -2.83 114.38 124.72 2bqe h ARG 98 Ca 0.20 -0.16 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 2bqe h ARG 98 Cb 0.33 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.78 2bqe h ARG 98 CO 0.00 0.68 -0.03 0.28 2.80 0.00 0.00 179.97 183.70 2bqe h VAL 99 N 0.47 0.75 0.00 0.20 2.07 -0.97 -2.14 116.25 116.64 2bqe h VAL 99 Ca 0.12 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2bqe h VAL 99 Cb 0.35 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2bqe h VAL 99 CO 0.01 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.94 2bqe n VAL 100 N -5.20 0.23 0.54 2.57 0.24 -1.04 -2.64 118.33 113.03 2bqe n VAL 100 Ca -0.00 0.06 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 2bqe n VAL 100 Cb 0.16 -0.70 0.45 0.00 -1.47 0.00 0.00 33.84 32.28 2bqe n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2bqe n ARG 101 N -1.21 0.22 -2.36 7.34 1.74 -0.80 -4.27 116.66 117.32 2bqe n ARG 101 Ca 0.12 0.30 -0.32 0.00 -0.77 0.00 0.00 57.85 57.18 2bqe n ARG 101 Cb 0.15 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 2bqe n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bqe s ASP 102 N -4.35 6.58 0.46 0.55 1.11 -1.08 -4.96 116.67 114.98 2bqe s ASP 102 Ca 0.08 1.57 0.26 0.00 0.18 0.00 0.00 52.55 54.64 2bqe s ASP 102 Cb 0.11 -2.51 1.30 0.00 1.07 0.00 0.00 42.92 42.90 2bqe s ASP 102 CO 0.50 -0.62 1.78 1.55 1.18 0.00 0.00 175.17 179.57 2bqe h PRO 103 N 0.84 0.21 -0.11 8.23 0.13 -1.89 -1.16 132.00 138.24 2bqe h PRO 103 Ca -0.47 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2bqe h PRO 103 Cb 1.19 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2bqe h PRO 103 CO 0.61 0.14 0.02 1.96 -0.23 0.00 0.00 178.00 180.50 2bqe h GLN 104 N 0.21 0.15 0.00 0.86 4.20 -1.90 -3.48 115.11 115.15 2bqe h GLN 104 Ca 0.59 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.28 2bqe h GLN 104 Cb 1.84 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.59 2bqe h GLN 104 CO -0.18 0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.54 2bqe n GLY 105 N -1.38 2.29 0.30 3.46 0.00 -0.44 -2.42 105.19 107.00 2bqe n GLY 105 Ca -0.01 -0.51 0.18 0.00 0.00 0.00 0.00 46.02 45.67 2bqe n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqe h ILE 106 N 0.00 0.25 0.00 -0.61 6.09 -1.91 -2.32 117.51 119.01 2bqe h ILE 106 Ca 0.00 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 2bqe h ILE 106 Cb 0.00 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.49 2bqe h ILE 106 CO 0.00 0.04 0.00 0.54 -3.07 0.00 0.00 178.15 175.66 2bqe n ARG 107 N -3.37 0.16 -0.18 2.19 1.74 -1.02 -2.73 116.66 113.45 2bqe n ARG 107 Ca -0.02 0.50 0.25 0.00 -0.77 0.00 0.00 57.85 57.81 2bqe n ARG 107 Cb 0.17 -1.88 0.65 0.00 -1.02 0.00 0.00 32.46 30.38 2bqe n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqe h ALA 108 N 2.16 2.60 -2.58 7.54 0.00 -1.56 -3.36 119.26 124.06 2bqe h ALA 108 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 2bqe h ALA 108 Cb 0.21 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.87 2bqe h ALA 108 CO 0.00 -0.86 -0.20 -1.58 0.00 0.00 0.00 179.25 176.61 2bqe s TRP 109 N -5.13 3.21 0.41 0.00 0.51 -1.11 -4.96 118.94 111.88 2bqe s TRP 109 Ca -0.06 0.14 0.09 0.00 -2.12 0.00 0.00 56.10 54.15 2bqe s TRP 109 Cb 0.22 -2.72 0.87 0.00 -0.81 0.00 0.00 33.47 31.03 2bqe s TRP 109 CO 0.77 -0.42 2.00 0.28 -0.51 0.00 0.00 176.95 179.08 2bqe h VAL 110 N 5.53 1.12 -0.33 4.03 2.07 -1.89 -1.64 116.25 125.14 2bqe h VAL 110 Ca -0.30 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2bqe h VAL 110 Cb 1.14 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2bqe h VAL 110 CO 0.71 0.16 0.22 0.00 0.02 0.00 0.00 177.57 178.67 2bqe h ALA 111 N 1.72 1.84 -0.45 1.67 0.00 -1.93 -1.75 119.26 120.37 2bqe h ALA 111 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2bqe h ALA 111 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2bqe h ALA 111 CO -0.00 0.13 0.16 2.35 0.00 0.00 0.00 179.25 181.88 2bqe h TRP 112 N 0.38 0.70 -0.73 0.00 7.01 -1.62 -0.65 115.95 121.05 2bqe h TRP 112 Ca 0.13 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2bqe h TRP 112 Cb 0.05 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 2bqe h TRP 112 CO -0.00 0.62 0.37 0.00 -2.79 0.00 0.00 178.44 176.64 2bqe h ARG 113 N 0.58 1.05 -0.15 2.65 3.08 -1.36 0.27 114.38 120.50 2bqe h ARG 113 Ca 0.15 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2bqe h ARG 113 Cb 0.24 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2bqe h ARG 113 CO -0.01 0.81 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.61 2bqe h ASN 114 N 1.02 0.42 -0.01 7.04 2.35 -1.23 -3.37 115.58 121.81 2bqe h ASN 114 Ca 0.25 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2bqe h ASN 114 Cb 0.10 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2bqe h ASN 114 CO -0.03 0.84 -0.03 -2.11 -1.65 0.00 0.00 177.43 174.44 2bqe n ARG 115 N -4.51 0.48 0.00 0.81 0.00 -0.26 -4.86 116.66 108.31 2bqe n ARG 115 Ca -0.06 -0.78 0.00 0.00 -0.00 0.00 0.00 57.85 57.01 2bqe n ARG 115 Cb 0.39 -1.08 0.00 0.00 -0.00 0.00 0.00 32.46 31.77 2bqe n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqe n GLN 117 N -2.49 1.84 -2.34 0.00 7.27 0.09 -2.17 117.38 119.59 2bqe n GLN 117 Ca 0.00 0.66 -0.19 0.00 0.07 0.00 0.00 57.00 57.54 2bqe n GLN 117 Cb 0.38 -2.35 -0.02 0.00 2.41 0.00 0.00 30.24 30.66 2bqe n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqe n ASN 118 N 2.79 -5.40 -4.67 1.69 5.03 -1.26 -4.96 115.26 108.47 2bqe n ASN 118 Ca 0.16 0.07 -0.30 0.00 0.87 0.00 0.00 54.58 55.37 2bqe n ASN 118 Cb 0.27 -4.54 -0.09 0.00 -1.02 0.00 0.00 39.78 34.40 2bqe n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqe s ARG 119 N -4.92 2.07 -0.61 3.52 0.52 -0.92 -5.08 118.95 113.53 2bqe s ARG 119 Ca 0.00 -2.26 -0.23 0.00 -0.52 0.00 0.00 55.73 52.72 2bqe s ARG 119 Cb 0.00 -1.53 0.06 0.00 0.52 0.00 0.00 34.95 34.00 2bqe s ARG 119 CO 0.00 -0.23 0.94 0.34 0.02 0.00 0.00 175.30 176.37 2bqe s ASP 120 N -3.79 6.24 0.00 0.23 -1.08 -1.26 -4.89 116.67 112.12 2bqe s ASP 120 Ca 0.20 -0.74 0.18 0.00 -0.52 0.00 0.00 52.55 51.67 2bqe s ASP 120 Cb 0.05 -2.42 0.48 0.00 -1.46 0.00 0.00 42.92 39.58 2bqe s ASP 120 CO 0.10 -1.33 1.40 1.33 0.52 0.00 0.00 175.17 177.19 2bqe n VAL 121 N 6.01 0.89 0.25 1.11 0.24 -1.26 -4.48 118.33 121.08 2bqe n VAL 121 Ca -0.02 -0.95 0.12 0.00 -2.04 0.00 0.00 64.34 61.46 2bqe n VAL 121 Cb 0.46 0.60 0.75 0.00 -1.47 0.00 0.00 33.84 34.18 2bqe n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqe h ARG 122 N 3.47 0.00 -0.22 7.34 3.08 -1.92 -2.05 114.38 124.07 2bqe h ARG 122 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2bqe h ARG 122 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2bqe h ARG 122 CO 0.00 0.00 0.21 -0.56 -1.07 0.00 0.00 179.97 178.55 2bqe h GLN 123 N 0.00 0.00 0.00 0.04 3.07 -1.98 -2.13 115.11 114.12 2bqe h GLN 123 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.73 2bqe h GLN 123 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 2bqe h GLN 123 CO -0.00 0.00 -0.19 1.88 0.09 0.00 0.00 178.83 180.61 2bqe h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.70 -3.24 116.97 112.14 2bqe h TYR 124 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2bqe h TYR 124 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 2bqe h TYR 124 CO 0.00 0.19 -0.00 1.33 -1.05 0.00 0.00 178.16 178.63 2bqe n VAL 125 N -3.30 1.00 -2.04 -2.88 0.24 -0.85 -4.83 118.33 105.67 2bqe n VAL 125 Ca 0.01 -1.00 -0.42 0.00 -2.04 0.00 0.00 64.34 60.88 2bqe n VAL 125 Cb 0.44 0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 2bqe n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqe s GLN 126 N -1.01 4.24 0.00 7.34 2.00 -0.90 -2.86 119.66 128.48 2bqe s GLN 126 Ca 0.00 2.20 0.00 0.00 -2.00 0.00 0.00 55.36 55.56 2bqe s GLN 126 Cb 0.00 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.33 2bqe s GLN 126 CO 0.00 -0.63 0.00 0.41 -0.50 0.00 0.00 175.29 174.57 2bqe n GLY 127 N 3.79 0.78 0.08 2.59 0.00 -1.26 -4.92 105.19 106.24 2bqe n GLY 127 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2bqe n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqe n GLY 129 N 1.40 0.33 0.10 0.00 0.00 -1.26 -4.81 105.19 100.95 2bqe n GLY 129 Ca 0.10 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.38 2bqe n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65