#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqb s VAL 2 N 0.00 3.91 0.56 3.15 1.01 -1.26 -1.34 120.40 126.43 2bqb s VAL 2 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2bqb s VAL 2 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2bqb s VAL 2 CO 0.00 -0.14 1.09 -0.36 0.00 0.00 0.00 175.10 175.69 2bqb s PHE 3 N 1.44 2.80 0.25 5.22 0.40 -0.35 -5.01 117.98 122.72 2bqb s PHE 3 Ca -0.00 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.76 2bqb s PHE 3 Cb -0.19 -3.16 -0.08 0.00 0.51 0.00 0.00 43.02 40.11 2bqb s PHE 3 CO 0.03 -1.34 0.58 -1.21 0.70 0.00 0.00 175.22 173.98 2bqb s GLU 4 N -3.60 3.84 0.08 0.44 2.02 -1.26 -4.89 118.70 115.32 2bqb s GLU 4 Ca 0.68 0.35 -0.19 0.00 0.02 0.00 0.00 54.97 55.83 2bqb s GLU 4 Cb -0.20 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.36 2bqb s GLU 4 CO 0.30 0.29 1.32 -0.09 0.02 0.00 0.00 175.26 177.10 2bqb h ARG 5 N 2.50 -0.20 -0.10 1.61 2.43 -1.96 -0.98 114.38 117.68 2bqb h ARG 5 Ca -0.47 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 2bqb h ARG 5 Cb 1.17 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2bqb h ARG 5 CO 0.68 -0.13 -0.27 0.00 -1.51 0.00 0.00 179.97 178.74 2bqb h GLU 7 N 0.17 0.60 -0.47 0.00 4.81 -1.86 -2.09 114.58 115.74 2bqb h GLU 7 Ca 0.03 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2bqb h GLU 7 Cb 0.58 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2bqb h GLU 7 CO 0.04 0.40 0.09 1.25 -0.73 0.00 0.00 179.01 180.06 2bqb h LEU 8 N 0.62 0.73 -0.65 1.64 5.85 -0.75 -2.47 115.31 120.28 2bqb h LEU 8 Ca 0.17 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2bqb h LEU 8 Cb -0.07 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2bqb h LEU 8 CO -0.04 0.80 0.37 0.00 -0.34 0.00 0.00 178.44 179.23 2bqb h ALA 9 N 0.96 0.87 -0.44 1.25 0.00 -1.07 0.26 119.26 121.10 2bqb h ALA 9 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2bqb h ALA 9 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2bqb h ALA 9 CO 0.01 0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.16 2bqb h ARG 10 N 0.68 0.81 -0.41 0.00 3.08 -1.33 -1.39 114.38 115.83 2bqb h ARG 10 Ca 0.29 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2bqb h ARG 10 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2bqb h ARG 10 CO -0.17 0.91 0.07 1.15 -1.07 0.00 0.00 179.97 180.86 2bqb h THR 11 N 0.73 1.24 -0.51 2.04 2.02 -0.84 -1.28 112.91 116.30 2bqb h THR 11 Ca 0.12 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 2bqb h THR 11 Cb 0.64 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2bqb h THR 11 CO 0.05 0.30 -0.05 -0.07 0.37 0.00 0.00 175.52 176.11 2bqb h LEU 12 N 0.53 0.88 -0.13 2.58 3.38 -0.84 -1.90 115.31 119.82 2bqb h LEU 12 Ca 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2bqb h LEU 12 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2bqb h LEU 12 CO 0.01 0.97 0.08 0.50 0.09 0.00 0.00 178.44 180.09 2bqb h LYS 13 N 0.82 0.17 0.00 1.13 3.64 -0.95 -2.19 116.57 119.19 2bqb h LYS 13 Ca 0.15 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2bqb h LYS 13 Cb 0.56 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2bqb h LYS 13 CO 0.03 0.14 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.21 2bqb h ARG 14 N 0.15 0.00 -0.21 1.90 2.43 -1.00 -1.71 114.38 115.94 2bqb h ARG 14 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2bqb h ARG 14 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2bqb h ARG 14 CO -0.01 0.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.79 2bqb n LEU 15 N -4.38 1.25 -0.70 3.80 4.77 -0.74 -4.92 117.00 116.09 2bqb n LEU 15 Ca -0.03 -0.60 -0.06 0.00 -0.03 0.00 0.00 56.01 55.29 2bqb n LEU 15 Cb 0.14 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2bqb n LEU 15 CO 0.34 0.30 -0.08 0.61 -1.33 0.00 0.00 177.39 177.23 2bqb n GLY 16 N 0.91 0.13 0.13 -0.72 0.00 -0.64 -4.96 105.19 100.04 2bqb n GLY 16 Ca 0.10 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.55 2bqb n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqb h MET 17 N 0.00 0.00 -6.10 1.61 2.86 -1.58 -3.41 114.93 108.30 2bqb h MET 17 Ca -0.15 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.94 2bqb h MET 17 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 2bqb h MET 17 CO 0.17 0.17 1.36 0.34 1.06 0.00 0.00 176.91 180.02 2bqb s ASP 18 N -5.84 5.56 0.00 1.22 2.15 -1.26 -1.84 116.67 116.66 2bqb s ASP 18 Ca 0.01 1.22 0.00 0.00 0.43 0.00 0.00 52.55 54.21 2bqb s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2bqb s ASP 18 CO 0.77 -1.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.39 2bqb n GLY 19 N 5.59 0.73 3.66 2.66 0.00 -0.04 -4.90 105.19 112.89 2bqb n GLY 19 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2bqb n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqb s TYR 20 N -2.51 1.28 -1.47 1.61 5.04 -0.77 -1.35 117.35 119.18 2bqb s TYR 20 Ca 0.00 -0.47 -0.11 0.00 -2.44 0.00 0.00 57.07 54.04 2bqb s TYR 20 Cb 0.00 -4.26 0.07 0.00 0.35 0.00 0.00 41.96 38.12 2bqb s TYR 20 CO 0.00 -5.62 0.81 0.54 -1.34 0.00 0.00 175.55 169.94 2bqb n ARG 21 N 7.50 -4.96 -1.00 4.97 5.12 -1.26 -1.35 116.66 125.69 2bqb n ARG 21 Ca 0.20 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 2bqb n ARG 21 Cb 0.41 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.24 2bqb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqb n GLY 22 N -1.55 0.71 3.52 -0.13 0.00 -0.46 -5.00 105.19 102.29 2bqb n GLY 22 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2bqb n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqb s ILE 23 N -2.87 5.26 0.78 -0.61 1.01 -0.46 -4.91 121.20 119.41 2bqb s ILE 23 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2bqb s ILE 23 Cb 0.00 -3.77 0.07 0.00 0.01 0.00 0.00 42.46 38.76 2bqb s ILE 23 CO 0.00 -0.08 1.13 -0.94 0.00 0.00 0.00 174.94 175.05 2bqb s SER 24 N 1.72 4.14 0.23 3.58 1.04 -1.26 -0.86 113.70 122.29 2bqb s SER 24 Ca 0.07 2.06 -0.08 0.00 0.48 0.00 0.00 55.95 58.48 2bqb s SER 24 Cb -0.18 -2.55 0.20 0.00 0.10 0.00 0.00 66.02 63.59 2bqb s SER 24 CO 0.11 -2.28 1.88 0.25 0.98 0.00 0.00 173.24 174.18 2bqb h LEU 25 N -0.93 1.03 -1.57 2.42 5.85 -1.91 -1.91 115.31 118.30 2bqb h LEU 25 Ca -0.45 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.30 2bqb h LEU 25 Cb 1.26 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2bqb h LEU 25 CO 0.49 0.78 0.40 0.00 -0.34 0.00 0.00 178.44 179.77 2bqb h ALA 26 N 1.30 1.90 -0.22 1.25 0.00 -1.92 -0.27 119.26 121.29 2bqb h ALA 26 Ca 0.32 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2bqb h ALA 26 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2bqb h ALA 26 CO -0.06 -0.01 -0.48 -0.91 0.00 0.00 0.00 179.25 177.78 2bqb h ASN 27 N 0.51 0.82 -0.41 0.00 2.35 -1.68 -1.34 115.58 115.83 2bqb h ASN 27 Ca 0.27 -0.55 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 2bqb h ASN 27 Cb 0.39 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2bqb h ASN 27 CO -0.08 1.22 0.11 -0.50 -1.65 0.00 0.00 177.43 176.53 2bqb h TRP 28 N 0.45 0.75 -0.40 1.19 4.06 -0.92 -1.56 115.95 119.52 2bqb h TRP 28 Ca 0.00 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 2bqb h TRP 28 Cb 1.09 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.02 2bqb h TRP 28 CO 0.08 0.64 -0.05 0.52 -3.56 0.00 0.00 178.44 176.08 2bqb h MET 29 N 0.71 0.74 -0.79 0.49 2.86 -0.98 -0.81 114.93 117.16 2bqb h MET 29 Ca 0.16 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2bqb h MET 29 Cb 0.28 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2bqb h MET 29 CO -0.00 0.85 0.41 0.00 1.06 0.00 0.00 176.91 179.23 2bqb h LEU 31 N 1.10 -0.09 -1.17 0.00 5.85 -1.02 -2.43 115.31 117.56 2bqb h LEU 31 Ca 0.27 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2bqb h LEU 31 Cb 0.07 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2bqb h LEU 31 CO -0.04 0.09 0.56 0.00 -0.34 0.00 0.00 178.44 178.71 2bqb h ALA 32 N 0.63 1.39 -0.10 1.25 0.00 -0.98 0.65 119.26 122.11 2bqb h ALA 32 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bqb h ALA 32 Cb 0.23 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2bqb h ALA 32 CO 0.02 0.56 0.06 -0.22 0.00 0.00 0.00 179.25 179.67 2bqb h LYS 33 N 1.15 0.14 0.00 0.00 1.63 -1.11 -1.38 116.57 117.00 2bqb h LYS 33 Ca 0.31 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.98 2bqb h LYS 33 Cb -0.13 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 2bqb h LYS 33 CO -0.07 0.17 -0.63 -1.49 -3.45 0.00 0.00 179.45 173.98 2bqb h TRP 34 N 0.07 0.00 0.06 1.91 4.06 -1.22 -1.18 115.95 119.66 2bqb h TRP 34 Ca 0.04 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.84 2bqb h TRP 34 Cb 0.07 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.24 2bqb h TRP 34 CO -0.05 0.52 -0.59 0.93 -3.56 0.00 0.00 178.44 175.69 2bqb h GLU 35 N 0.00 0.29 0.00 0.49 4.39 -0.82 -3.43 114.58 115.50 2bqb h GLU 35 Ca -0.02 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2bqb h GLU 35 Cb 1.41 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2bqb h GLU 35 CO 0.06 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.91 2bqb n SER 36 N -4.25 0.06 -1.55 1.42 3.41 -0.58 -4.86 113.62 107.26 2bqb n SER 36 Ca -0.12 -0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 57.79 2bqb n SER 36 Cb 0.70 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.71 2bqb n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqb n GLY 37 N 0.05 0.04 2.41 5.00 0.00 -0.44 -2.85 105.19 109.39 2bqb n GLY 37 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 2bqb n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqb n TYR 38 N -3.91 -0.96 -3.78 1.61 4.01 -1.14 -4.79 117.16 108.20 2bqb n TYR 38 Ca -0.07 0.07 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 2bqb n TYR 38 Cb 0.57 -3.59 -0.13 0.00 -0.31 0.00 0.00 39.34 35.88 2bqb n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqb s ASN 39 N -2.28 5.03 0.51 7.72 2.47 -1.13 -1.21 114.94 126.04 2bqb s ASN 39 Ca 0.04 -0.65 0.28 0.00 0.42 0.00 0.00 52.86 52.95 2bqb s ASN 39 Cb -0.02 -1.86 1.36 0.00 -1.45 0.00 0.00 41.25 39.28 2bqb s ASN 39 CO 0.05 -0.16 2.02 0.71 -3.72 0.00 0.00 177.10 175.99 2bqb h THR 40 N 5.84 0.49 -0.60 -5.21 1.35 -1.53 -2.87 112.91 110.37 2bqb h THR 40 Ca -0.33 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2bqb h THR 40 Cb 1.13 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2bqb h THR 40 CO 0.60 0.13 0.00 -2.11 -0.25 0.00 0.00 175.52 173.89 2bqb n ARG 41 N -3.50 2.45 -1.90 4.72 1.85 -1.26 -4.00 116.66 115.02 2bqb n ARG 41 Ca -0.01 -2.25 -0.42 0.00 -1.00 0.00 0.00 57.85 54.17 2bqb n ARG 41 Cb 0.28 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.17 2bqb n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqb s ALA 42 N -1.20 3.75 0.03 2.89 0.00 -1.09 -4.79 121.76 121.36 2bqb s ALA 42 Ca 0.42 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.75 2bqb s ALA 42 Cb 0.22 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 2bqb s ALA 42 CO 0.29 -0.94 -0.11 0.95 0.00 0.00 0.00 175.76 175.96 2bqb s THR 43 N 1.81 0.82 -0.14 0.00 -4.23 -1.26 0.04 115.64 112.68 2bqb s THR 43 Ca 0.73 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 2bqb s THR 43 Cb -0.43 -0.78 0.07 0.00 1.34 0.00 0.00 72.50 72.70 2bqb s THR 43 CO 0.32 -0.10 0.19 0.21 -0.54 0.00 0.00 174.62 174.70 2bqb s ASN 44 N -1.13 1.06 0.01 3.99 2.47 -0.34 -4.96 114.94 116.04 2bqb s ASN 44 Ca -0.02 0.09 -0.28 0.00 0.42 0.00 0.00 52.86 53.06 2bqb s ASN 44 Cb -0.08 0.32 -0.04 0.00 -1.45 0.00 0.00 41.25 40.01 2bqb s ASN 44 CO 0.01 -0.28 0.91 -0.47 -3.72 0.00 0.00 177.10 173.54 2bqb s TYR 45 N 2.31 3.68 -0.67 0.43 5.04 -1.26 -0.81 117.35 126.07 2bqb s TYR 45 Ca 0.04 1.61 -0.12 0.00 -2.44 0.00 0.00 57.07 56.17 2bqb s TYR 45 Cb -0.14 -3.03 0.17 0.00 0.35 0.00 0.00 41.96 39.32 2bqb s TYR 45 CO -0.09 0.07 0.58 -0.80 -1.34 0.00 0.00 175.55 173.97 2bqb s ASN 46 N 0.72 6.19 0.47 4.32 0.01 -0.07 -4.93 114.94 121.64 2bqb s ASN 46 Ca 0.47 -2.40 0.18 0.00 -0.71 0.00 0.00 52.86 50.41 2bqb s ASN 46 Cb -0.21 -2.11 1.16 0.00 0.41 0.00 0.00 41.25 40.51 2bqb s ASN 46 CO 0.26 -0.62 1.98 0.00 -1.51 0.00 0.00 177.10 177.21 2bqb h ALA 47 N 7.99 2.19 -0.77 0.60 0.00 -1.95 0.18 119.26 127.50 2bqb h ALA 47 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2bqb h ALA 47 Cb 1.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2bqb h ALA 47 CO 0.82 -0.34 0.44 0.78 0.00 0.00 0.00 179.25 180.95 2bqb h GLY 48 N 0.26 1.15 0.00 0.00 0.00 -1.95 -3.30 103.07 99.23 2bqb h GLY 48 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2bqb h GLY 48 CO -0.06 0.49 0.00 2.09 0.00 0.00 0.00 176.54 179.06 2bqb n ASP 49 N -4.45 1.67 -1.79 0.19 5.68 -1.04 -5.02 116.55 111.80 2bqb n ASP 49 Ca 0.07 -1.70 -0.16 0.00 -0.50 0.00 0.00 54.79 52.50 2bqb n ASP 49 Cb 0.08 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.05 2bqb n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bqb n ARG 50 N -0.35 -1.27 -4.15 0.11 1.74 0.03 -4.80 116.66 107.96 2bqb n ARG 50 Ca 0.00 0.81 -0.24 0.00 -0.77 0.00 0.00 57.85 57.65 2bqb n ARG 50 Cb 0.18 -5.19 -0.07 0.00 -1.02 0.00 0.00 32.46 26.37 2bqb n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqb s SER 51 N -2.32 4.53 -0.02 0.55 1.04 -1.21 -4.46 113.70 111.82 2bqb s SER 51 Ca 0.00 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.59 2bqb s SER 51 Cb 0.00 -0.64 -0.00 0.00 0.10 0.00 0.00 66.02 65.47 2bqb s SER 51 CO 0.00 -0.33 -0.10 -0.89 0.98 0.00 0.00 173.24 172.90 2bqb s THR 52 N -2.47 0.84 -0.14 2.02 2.01 -1.26 -0.90 115.64 115.74 2bqb s THR 52 Ca 0.38 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 2bqb s THR 52 Cb -0.01 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2bqb s THR 52 CO 0.22 0.25 0.39 -1.81 -0.69 0.00 0.00 174.62 172.97 2bqb s ASP 53 N -0.07 6.56 -0.06 3.53 1.01 0.01 -1.48 116.67 126.17 2bqb s ASP 53 Ca 0.01 0.66 0.05 0.00 0.71 0.00 0.00 52.55 53.98 2bqb s ASP 53 Cb -0.06 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 2bqb s ASP 53 CO 0.00 0.05 -0.22 -0.31 0.21 0.00 0.00 175.17 174.90 2bqb s TYR 54 N 0.54 2.51 0.00 4.23 1.51 0.46 -1.20 117.35 125.40 2bqb s TYR 54 Ca 0.21 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 2bqb s TYR 54 Cb -0.14 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 2bqb s TYR 54 CO 0.07 -0.13 0.00 0.41 -1.11 0.00 0.00 175.55 174.79 2bqb n GLY 55 N 2.86 -1.78 0.33 0.71 0.00 0.11 -1.71 105.19 105.70 2bqb n GLY 55 Ca -0.17 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.54 2bqb n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqb h ILE 56 N 0.00 1.07 -0.39 -0.61 2.10 -1.68 -2.00 117.51 116.00 2bqb h ILE 56 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 2bqb h ILE 56 Cb 0.00 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.13 2bqb h ILE 56 CO 0.00 0.11 0.00 0.49 -1.08 0.00 0.00 178.15 177.67 2bqb n PHE 57 N -4.47 0.50 -3.61 2.19 3.72 -1.26 -4.01 117.46 110.52 2bqb n PHE 57 Ca 0.06 -0.28 -0.25 0.00 -0.05 0.00 0.00 57.45 56.93 2bqb n PHE 57 Cb 0.13 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.69 2bqb n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqb n GLN 58 N 1.38 -1.25 -2.97 -1.08 1.13 -0.75 -4.92 117.38 108.91 2bqb n GLN 58 Ca 0.18 0.70 -0.40 0.00 -1.94 0.00 0.00 57.00 55.54 2bqb n GLN 58 Cb 0.57 -3.90 -0.04 0.00 0.11 0.00 0.00 30.24 26.98 2bqb n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqb s ILE 59 N -3.27 4.97 0.05 5.09 1.01 -0.69 -4.51 121.20 123.84 2bqb s ILE 59 Ca 0.28 1.59 -0.29 0.00 0.00 0.00 0.00 60.65 62.22 2bqb s ILE 59 Cb -0.10 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2bqb s ILE 59 CO 0.86 0.25 0.93 0.21 0.00 0.00 0.00 174.94 177.19 2bqb s ASN 60 N 0.70 7.38 0.12 3.58 3.84 -1.26 -0.41 114.94 128.90 2bqb s ASN 60 Ca 0.40 1.67 0.18 0.00 0.21 0.00 0.00 52.86 55.32 2bqb s ASN 60 Cb -0.19 -2.56 0.76 0.00 -0.55 0.00 0.00 41.25 38.72 2bqb s ASN 60 CO 0.21 -0.14 1.55 -1.54 -2.79 0.00 0.00 177.10 174.38 2bqb n SER 61 N 3.32 0.31 0.08 -4.21 3.41 -0.55 -1.46 113.62 114.52 2bqb n SER 61 Ca 0.03 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.12 2bqb n SER 61 Cb 0.50 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 2bqb n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqb h ARG 62 N 0.00 0.17 0.00 4.33 2.43 -1.85 -3.40 114.38 116.06 2bqb h ARG 62 Ca 0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2bqb h ARG 62 Cb 0.27 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2bqb h ARG 62 CO 0.00 1.02 -0.95 0.66 -1.51 0.00 0.00 179.97 179.19 2bqb n TYR 63 N -3.57 0.00 -0.05 2.20 4.01 -1.16 -0.53 117.16 118.07 2bqb n TYR 63 Ca -0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.69 2bqb n TYR 63 Cb 0.88 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.79 2bqb n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqb n TRP 64 N -1.93 0.00 -4.10 -0.72 7.02 -0.54 -0.02 117.44 117.16 2bqb n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2bqb n TRP 64 Cb 0.48 -0.61 -0.10 0.00 -2.42 0.00 0.00 31.31 28.66 2bqb n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqb s ASN 66 N -2.98 5.02 0.00 0.00 2.47 0.31 -4.46 114.94 115.30 2bqb s ASN 66 Ca 0.16 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.32 2bqb s ASN 66 Cb 0.07 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 38.02 2bqb s ASN 66 CO -0.04 0.11 0.61 -0.90 -3.72 0.00 0.00 177.10 173.16 2bqb n ASP 67 N 3.95 1.13 0.00 -4.21 5.75 -1.26 -1.30 116.55 120.61 2bqb n ASP 67 Ca -0.17 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 2bqb n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqb n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqb n GLY 68 N -0.17 1.76 1.12 6.12 0.00 -1.26 -4.71 105.19 108.05 2bqb n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2bqb n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqb n LYS 69 N -0.47 2.58 -3.37 1.61 2.85 -1.26 -4.91 118.16 115.18 2bqb n LYS 69 Ca 0.00 -2.37 -0.41 0.00 -1.05 0.00 0.00 58.31 54.49 2bqb n LYS 69 Cb 0.00 -1.48 -0.09 0.00 -0.65 0.00 0.00 35.03 32.81 2bqb n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqb s THR 70 N -1.16 5.14 0.78 0.58 2.01 -1.26 -4.97 115.64 116.76 2bqb s THR 70 Ca 0.39 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 2bqb s THR 70 Cb 0.22 -3.83 0.07 0.00 0.01 0.00 0.00 72.50 68.96 2bqb s THR 70 CO 0.29 -0.08 1.22 -2.84 -0.69 0.00 0.00 174.62 172.52 2bqb s PRO 71 N 2.09 1.79 -0.80 4.92 0.02 -1.26 -2.84 135.00 138.92 2bqb s PRO 71 Ca 0.13 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.98 2bqb s PRO 71 Cb -0.16 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2bqb s PRO 71 CO 0.12 -2.11 0.00 0.41 -0.33 0.00 0.00 177.00 175.08 2bqb n GLY 72 N 0.58 -0.28 3.85 0.52 0.00 -1.26 -4.92 105.19 103.68 2bqb n GLY 72 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2bqb n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqb s ALA 73 N -2.34 3.02 0.16 4.61 0.00 -1.13 -4.96 121.76 121.13 2bqb s ALA 73 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 2bqb s ALA 73 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2bqb s ALA 73 CO 0.00 -0.55 0.08 0.08 0.00 0.00 0.00 175.76 175.38 2bqb s VAL 74 N -2.87 0.08 -0.42 0.00 1.01 0.31 -5.03 120.40 113.48 2bqb s VAL 74 Ca 0.58 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 60.63 2bqb s VAL 74 Cb -0.11 -2.23 0.13 0.00 0.00 0.00 0.00 36.38 34.17 2bqb s VAL 74 CO 0.43 -0.28 0.22 0.21 0.00 0.00 0.00 175.10 175.68 2bqb s ASN 75 N -3.10 3.65 -0.03 3.32 3.84 -1.26 -4.02 114.94 117.35 2bqb s ASN 75 Ca 0.30 -2.52 -0.21 0.00 0.21 0.00 0.00 52.86 50.64 2bqb s ASN 75 Cb 0.07 -0.99 -0.27 0.00 -0.55 0.00 0.00 41.25 39.52 2bqb s ASN 75 CO 0.06 -0.28 1.00 0.00 -2.79 0.00 0.00 177.10 175.09 2bqb h ALA 76 N 6.86 0.00 0.00 1.71 0.00 -0.64 -3.26 119.26 123.94 2bqb h ALA 76 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2bqb h ALA 76 Cb 0.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2bqb h ALA 76 CO 0.47 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.04 2bqb h ALA 77 N 0.21 1.00 -0.47 0.00 0.00 -1.70 -3.48 119.26 114.82 2bqb h ALA 77 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2bqb h ALA 77 Cb 1.40 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 2bqb h ALA 77 CO 0.12 0.00 -0.18 0.72 0.00 0.00 0.00 179.25 179.91 2bqb n HIS 78 N -3.10 0.00 -3.27 0.00 -0.00 -1.23 -5.01 115.22 102.61 2bqb n HIS 78 Ca 0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.54 2bqb n HIS 78 Cb 0.53 -2.00 -0.00 0.00 -0.00 0.00 0.00 29.99 28.52 2bqb n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqb s LEU 79 N -2.26 3.87 0.09 2.41 1.43 -1.26 -4.94 118.68 118.02 2bqb s LEU 79 Ca 0.00 0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 53.09 2bqb s LEU 79 Cb 0.00 -3.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.06 2bqb s LEU 79 CO 0.00 -0.49 0.65 -0.55 0.23 0.00 0.00 176.35 176.19 2bqb s SER 80 N -4.14 7.17 0.65 2.29 0.15 -1.26 -0.53 113.70 118.02 2bqb s SER 80 Ca 0.44 1.39 0.42 0.00 0.70 0.00 0.00 55.95 58.89 2bqb s SER 80 Cb -0.10 -2.41 2.25 0.00 -1.71 0.00 0.00 66.02 64.05 2bqb s SER 80 CO 0.35 0.22 2.32 0.00 1.20 0.00 0.00 173.24 177.33 2bqb h SER 82 N 0.00 0.49 0.25 0.00 0.87 -1.92 -2.13 113.55 111.12 2bqb h SER 82 Ca -0.00 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2bqb h SER 82 Cb 0.06 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2bqb h SER 82 CO 0.00 0.42 -0.07 0.00 -0.53 0.00 0.00 176.83 176.65 2bqb h ALA 83 N 1.66 1.33 -0.10 6.23 0.00 -1.73 -2.27 119.26 124.38 2bqb h ALA 83 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bqb h ALA 83 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bqb h ALA 83 CO -0.02 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.60 2bqb n LEU 84 N -3.65 0.93 -0.46 0.00 4.77 -0.80 -3.51 117.00 114.29 2bqb n LEU 84 Ca -0.02 -0.39 0.05 0.00 -0.03 0.00 0.00 56.01 55.61 2bqb n LEU 84 Cb 0.18 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.34 2bqb n LEU 84 CO 0.28 0.20 0.60 0.18 -1.33 0.00 0.00 177.39 177.32 2bqb n LEU 85 N -0.16 2.76 -4.89 2.23 4.77 -0.85 -3.51 117.00 117.34 2bqb n LEU 85 Ca 0.15 -2.19 -0.29 0.00 -0.03 0.00 0.00 56.01 53.64 2bqb n LEU 85 Cb 0.21 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2bqb n LEU 85 CO 0.12 0.66 0.68 -1.10 -1.33 0.00 0.00 177.39 176.42 2bqb s GLN 86 N -1.34 2.84 0.14 3.23 -0.21 -1.23 -4.60 119.66 118.48 2bqb s GLN 86 Ca 0.20 0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.86 2bqb s GLN 86 Cb 0.12 -2.10 -0.08 0.00 1.00 0.00 0.00 33.01 31.96 2bqb s GLN 86 CO 0.10 -0.95 1.31 -0.44 -2.12 0.00 0.00 175.29 173.19 2bqb h ASP 87 N -0.52 0.40 -3.30 5.90 3.32 -1.93 -3.42 116.42 116.87 2bqb h ASP 87 Ca -0.45 -0.33 -0.57 0.00 0.02 0.00 0.00 57.03 55.69 2bqb h ASP 87 Cb 1.26 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 2bqb h ASP 87 CO 0.63 1.15 0.87 0.21 -1.72 0.00 0.00 179.24 180.37 2bqb s ASN 88 N -7.02 6.88 -0.03 6.45 3.84 -1.26 -4.94 114.94 118.87 2bqb s ASN 88 Ca -0.04 1.05 0.08 0.00 0.21 0.00 0.00 52.86 54.16 2bqb s ASN 88 Cb 0.09 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.53 2bqb s ASN 88 CO 0.85 -0.92 1.16 2.30 -2.79 0.00 0.00 177.10 177.69 2bqb n ILE 89 N 5.96 0.59 -0.21 -5.21 -5.35 -1.26 -4.43 119.36 109.45 2bqb n ILE 89 Ca 0.12 -0.44 -0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2bqb n ILE 89 Cb 0.47 0.03 0.11 0.00 -1.74 0.00 0.00 39.64 38.51 2bqb n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqb h ALA 90 N 3.34 0.81 -0.26 -1.28 0.00 -1.95 0.03 119.26 119.95 2bqb h ALA 90 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2bqb h ALA 90 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bqb h ALA 90 CO 0.06 -0.16 -0.44 -0.44 0.00 0.00 0.00 179.25 178.26 2bqb h ASP 91 N 0.45 0.69 -0.29 0.00 3.32 -1.87 -1.48 116.42 117.25 2bqb h ASP 91 Ca 0.31 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2bqb h ASP 91 Cb 0.36 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2bqb h ASP 91 CO -0.29 1.04 -0.04 0.00 -1.72 0.00 0.00 179.24 178.23 2bqb h ALA 92 N 0.99 1.20 -0.25 3.45 0.00 -1.65 -0.92 119.26 122.08 2bqb h ALA 92 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2bqb h ALA 92 Cb 0.97 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2bqb h ALA 92 CO 0.09 0.52 -0.25 0.28 0.00 0.00 0.00 179.25 179.89 2bqb h VAL 93 N 0.61 1.31 -0.99 0.00 2.07 -0.79 -0.74 116.25 117.72 2bqb h VAL 93 Ca 0.12 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2bqb h VAL 93 Cb 0.44 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 2bqb h VAL 93 CO 0.02 0.44 0.63 0.00 0.02 0.00 0.00 177.57 178.69 2bqb h ALA 94 N 0.68 1.26 -0.26 1.67 0.00 -0.99 -1.29 119.26 120.33 2bqb h ALA 94 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2bqb h ALA 94 Cb 0.81 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2bqb h ALA 94 CO 0.06 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.98 2bqb h ALA 95 N 1.35 0.35 -0.84 0.00 0.00 -1.05 -2.47 119.26 116.61 2bqb h ALA 95 Ca 0.36 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2bqb h ALA 95 Cb -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2bqb h ALA 95 CO -0.07 0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.81 2bqb h ALA 96 N 0.81 1.39 -0.72 0.00 0.00 -0.87 -1.36 119.26 118.52 2bqb h ALA 96 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2bqb h ALA 96 Cb 0.42 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2bqb h ALA 96 CO 0.01 0.56 0.20 0.87 0.00 0.00 0.00 179.25 180.90 2bqb h LYS 97 N 1.14 1.12 -0.35 0.00 1.57 -1.11 -2.68 116.57 116.27 2bqb h LYS 97 Ca 0.31 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2bqb h LYS 97 Cb -0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 2bqb h LYS 97 CO -0.06 0.97 0.14 -0.09 -0.57 0.00 0.00 179.45 179.84 2bqb h ARG 98 N 1.07 0.52 -0.29 3.15 9.65 -0.93 -2.80 114.38 124.75 2bqb h ARG 98 Ca 0.23 -0.09 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 2bqb h ARG 98 Cb 0.33 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.77 2bqb h ARG 98 CO -0.00 0.51 -0.07 0.28 2.80 0.00 0.00 179.97 183.48 2bqb h VAL 99 N 0.42 0.71 0.00 0.20 2.07 -1.06 -2.24 116.25 116.35 2bqb h VAL 99 Ca 0.12 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2bqb h VAL 99 Cb 0.18 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2bqb h VAL 99 CO -0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.91 2bqb n VAL 100 N -5.24 0.06 1.27 2.57 0.24 -1.03 -2.70 118.33 113.50 2bqb n VAL 100 Ca -0.00 0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.46 2bqb n VAL 100 Cb 0.17 -0.64 0.68 0.00 -1.47 0.00 0.00 33.84 32.58 2bqb n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2bqb n ARG 101 N -1.06 0.30 -2.98 7.34 1.74 -0.84 -4.31 116.66 116.85 2bqb n ARG 101 Ca 0.16 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 2bqb n ARG 101 Cb 0.10 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 2bqb n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bqb s ASP 102 N -2.72 6.55 0.57 0.55 1.11 -1.10 -4.97 116.67 116.66 2bqb s ASP 102 Ca 0.23 1.09 0.30 0.00 0.18 0.00 0.00 52.55 54.36 2bqb s ASP 102 Cb 0.20 -2.30 1.45 0.00 1.07 0.00 0.00 42.92 43.33 2bqb s ASP 102 CO 0.49 -0.33 1.85 1.55 1.18 0.00 0.00 175.17 179.91 2bqb h PRO 103 N 1.50 0.00 -0.36 8.23 0.13 -1.89 -1.40 132.00 138.21 2bqb h PRO 103 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2bqb h PRO 103 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2bqb h PRO 103 CO 0.64 0.00 0.17 1.96 -0.23 0.00 0.00 178.00 180.54 2bqb h GLN 104 N 0.00 0.49 0.00 0.86 4.20 -1.90 -3.48 115.11 115.28 2bqb h GLN 104 Ca 0.34 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2bqb h GLN 104 Cb 1.58 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.26 2bqb h GLN 104 CO -0.00 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 178.95 2bqb n GLY 105 N -1.30 1.59 0.21 3.46 0.00 -0.53 -2.52 105.19 106.11 2bqb n GLY 105 Ca 0.02 -0.63 0.15 0.00 0.00 0.00 0.00 46.02 45.56 2bqb n GLY 105 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bqb h VAL 106 N 0.00 0.00 0.00 1.61 3.04 -1.91 -2.55 116.25 116.45 2bqb h VAL 106 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2bqb h VAL 106 Cb 0.00 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2bqb h VAL 106 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.10 2bqb n ARG 107 N -2.63 0.22 0.25 4.17 1.74 -1.05 -2.97 116.66 116.39 2bqb n ARG 107 Ca 0.00 0.14 0.10 0.00 -0.77 0.00 0.00 57.85 57.32 2bqb n ARG 107 Cb 0.20 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 30.82 2bqb n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqb h ALA 108 N 2.71 1.95 -2.57 7.54 0.00 -1.61 -3.38 119.26 123.91 2bqb h ALA 108 Ca 0.00 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 2bqb h ALA 108 Cb 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 2bqb h ALA 108 CO 0.00 -0.03 -0.16 -1.58 0.00 0.00 0.00 179.25 177.48 2bqb s TRP 109 N -5.00 3.21 0.35 0.00 0.51 -1.16 -4.95 118.94 111.90 2bqb s TRP 109 Ca -0.05 0.22 0.03 0.00 -2.12 0.00 0.00 56.10 54.18 2bqb s TRP 109 Cb 0.17 -2.75 0.63 0.00 -0.81 0.00 0.00 33.47 30.71 2bqb s TRP 109 CO 0.65 -0.41 1.96 0.28 -0.51 0.00 0.00 176.95 178.92 2bqb h VAL 110 N 5.52 1.17 -0.26 4.03 2.07 -1.90 -1.61 116.25 125.28 2bqb h VAL 110 Ca -0.29 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 66.82 2bqb h VAL 110 Cb 1.14 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2bqb h VAL 110 CO 0.71 0.19 0.18 0.00 0.02 0.00 0.00 177.57 178.68 2bqb h ALA 111 N 1.56 2.14 -0.40 1.67 0.00 -1.94 -1.81 119.26 120.48 2bqb h ALA 111 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2bqb h ALA 111 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2bqb h ALA 111 CO -0.03 -0.20 0.19 2.35 0.00 0.00 0.00 179.25 181.56 2bqb h TRP 112 N 0.08 0.59 -0.56 0.00 7.01 -1.60 -0.76 115.95 120.71 2bqb h TRP 112 Ca 0.12 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.09 2bqb h TRP 112 Cb 0.36 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 2bqb h TRP 112 CO -0.00 0.49 0.37 0.00 -2.79 0.00 0.00 178.44 176.51 2bqb h ARG 113 N 0.51 0.74 -0.17 2.65 3.08 -1.40 0.22 114.38 120.01 2bqb h ARG 113 Ca 0.14 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 2bqb h ARG 113 Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2bqb h ARG 113 CO -0.02 0.50 -0.30 -0.91 -1.07 0.00 0.00 179.97 178.17 2bqb h ASN 114 N 0.76 0.56 -0.01 7.04 2.35 -1.36 -3.37 115.58 121.55 2bqb h ASN 114 Ca 0.21 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2bqb h ASN 114 Cb -0.08 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2bqb h ASN 114 CO -0.04 0.99 -0.06 -2.11 -1.65 0.00 0.00 177.43 174.56 2bqb n ARG 115 N -4.36 0.93 0.00 0.81 0.00 -0.30 -4.87 116.66 108.86 2bqb n ARG 115 Ca -0.06 -0.78 0.00 0.00 -0.00 0.00 0.00 57.85 57.01 2bqb n ARG 115 Cb 0.47 -1.08 0.00 0.00 -0.00 0.00 0.00 32.46 31.85 2bqb n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqb n GLN 117 N -2.55 1.97 -1.97 0.00 7.27 -0.18 -2.16 117.38 119.75 2bqb n GLN 117 Ca 0.00 0.70 -0.21 0.00 0.07 0.00 0.00 57.00 57.57 2bqb n GLN 117 Cb 0.36 -2.37 -0.05 0.00 2.41 0.00 0.00 30.24 30.59 2bqb n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqb n ASN 118 N 2.34 -5.68 -4.62 1.69 5.03 -1.26 -4.96 115.26 107.81 2bqb n ASN 118 Ca 0.13 0.26 -0.26 0.00 0.87 0.00 0.00 54.58 55.58 2bqb n ASN 118 Cb 0.30 -4.85 -0.10 0.00 -1.02 0.00 0.00 39.78 34.11 2bqb n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqb s ARG 119 N -4.35 1.99 -0.54 3.52 0.52 -0.92 -5.08 118.95 114.09 2bqb s ARG 119 Ca 0.00 -1.97 -0.27 0.00 -0.52 0.00 0.00 55.73 52.97 2bqb s ARG 119 Cb 0.00 -1.76 0.03 0.00 0.52 0.00 0.00 34.95 33.75 2bqb s ARG 119 CO 0.00 0.01 1.09 0.34 0.02 0.00 0.00 175.30 176.77 2bqb s ASP 120 N -3.72 6.46 0.00 0.23 2.15 -1.26 -4.87 116.67 115.66 2bqb s ASP 120 Ca 0.35 0.06 0.20 0.00 0.43 0.00 0.00 52.55 53.59 2bqb s ASP 120 Cb 0.06 -2.51 0.50 0.00 -0.30 0.00 0.00 42.92 40.67 2bqb s ASP 120 CO 0.19 -1.33 1.42 1.33 -0.17 0.00 0.00 175.17 176.60 2bqb n VAL 121 N 6.56 0.86 0.16 1.11 0.24 -1.26 -4.54 118.33 121.46 2bqb n VAL 121 Ca 0.07 -0.93 0.09 0.00 -2.04 0.00 0.00 64.34 61.53 2bqb n VAL 121 Cb 0.49 0.63 0.59 0.00 -1.47 0.00 0.00 33.84 34.08 2bqb n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqb h ARG 122 N 3.75 0.14 -0.28 7.34 3.08 -1.92 -2.08 114.38 124.41 2bqb h ARG 122 Ca 0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2bqb h ARG 122 Cb 0.91 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2bqb h ARG 122 CO 0.00 0.10 0.30 -0.56 -1.07 0.00 0.00 179.97 178.74 2bqb h GLN 123 N 0.15 0.00 0.00 0.04 3.07 -1.97 -2.11 115.11 114.29 2bqb h GLN 123 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.75 2bqb h GLN 123 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 2bqb h GLN 123 CO -0.01 0.00 -0.29 1.88 0.09 0.00 0.00 178.83 180.50 2bqb h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.71 -3.28 116.97 112.10 2bqb h TYR 124 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2bqb h TYR 124 Cb 0.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.47 2bqb h TYR 124 CO 0.00 0.29 0.00 1.33 -1.05 0.00 0.00 178.16 178.73 2bqb n VAL 125 N -3.47 0.72 -2.11 -2.88 0.24 -0.93 -4.85 118.33 105.05 2bqb n VAL 125 Ca -0.00 -0.78 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 2bqb n VAL 125 Cb 0.46 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 2bqb n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqb s GLN 126 N -0.72 4.29 0.00 7.34 2.00 -0.84 -2.73 119.66 129.00 2bqb s GLN 126 Ca 0.00 2.15 0.00 0.00 -2.00 0.00 0.00 55.36 55.51 2bqb s GLN 126 Cb 0.00 -3.25 0.00 0.00 0.80 0.00 0.00 33.01 30.56 2bqb s GLN 126 CO 0.00 -0.49 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 2bqb n GLY 127 N 3.58 0.84 0.00 2.59 0.00 -1.26 -4.91 105.19 106.03 2bqb n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2bqb n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqb n GLY 129 N 1.50 0.41 0.47 0.00 0.00 -1.26 -4.86 105.19 101.45 2bqb n GLY 129 Ca 0.06 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 45.24 2bqb n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65