#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfu h LEU 2 N 0.00 0.00 0.09 0.99 3.38 -1.94 -3.21 115.31 114.62 1qfu h LEU 2 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1qfu h LEU 2 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1qfu h LEU 2 CO 0.00 0.00 -2.09 0.49 0.09 0.00 0.00 178.44 176.93 1qfu n PHE 3 N -3.30 0.94 0.00 1.13 3.01 -1.26 -5.03 117.46 112.95 1qfu n PHE 3 Ca -0.01 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1qfu n PHE 3 Cb 0.29 -1.12 0.00 0.00 -0.01 0.00 0.00 39.48 38.64 1qfu n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qfu n GLY 4 N 2.02 1.03 0.00 1.37 0.00 -1.21 -4.99 105.19 103.40 1qfu n GLY 4 Ca -0.36 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 1qfu n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfu h ALA 5 N 0.00 -0.42 -2.50 4.61 0.00 -1.91 1.37 119.26 120.42 1qfu h ALA 5 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1qfu h ALA 5 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1qfu h ALA 5 CO 0.00 -0.42 0.93 0.42 0.00 0.00 0.00 179.25 180.18 1qfu s ILE 6 N -1.84 3.00 -1.39 0.00 1.01 -1.26 -1.21 121.20 119.51 1qfu s ILE 6 Ca -0.00 0.56 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 1qfu s ILE 6 Cb 0.00 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.13 1qfu s ILE 6 CO 0.00 0.01 0.38 0.00 0.00 0.00 0.00 174.94 175.34 1qfu n ALA 7 N 4.98 -0.93 -2.00 9.38 0.00 -1.25 -4.03 120.51 126.66 1qfu n ALA 7 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1qfu n ALA 7 Cb 0.40 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.00 1qfu n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfu n GLY 8 N -1.21 2.20 0.03 0.00 0.00 -0.35 -4.93 105.19 100.93 1qfu n GLY 8 Ca -0.10 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1qfu n GLY 8 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qfu n PHE 9 N 0.00 0.00 -3.52 1.61 1.16 0.47 -4.26 117.46 112.93 1qfu n PHE 9 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 1qfu n PHE 9 Cb 0.00 -0.33 -0.07 0.00 -1.61 0.00 0.00 39.48 37.47 1qfu n PHE 9 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1qfu s ILE 10 N -2.82 4.52 0.17 1.97 1.01 -0.72 -3.94 121.20 121.39 1qfu s ILE 10 Ca 0.19 -2.21 0.01 0.00 0.00 0.00 0.00 60.65 58.63 1qfu s ILE 10 Cb 0.19 -3.91 0.23 0.00 0.01 0.00 0.00 42.46 38.98 1qfu s ILE 10 CO 0.55 -0.87 0.84 -1.84 0.00 0.00 0.00 174.94 173.62 1qfu n GLU 11 N 4.37 -0.04 -3.71 2.79 0.00 -1.26 -3.85 120.64 118.93 1qfu n GLU 11 Ca 0.01 0.81 -0.04 0.00 0.00 0.00 0.00 57.16 57.93 1qfu n GLU 11 Cb 0.42 -1.28 0.02 0.00 0.00 0.00 0.00 31.44 30.60 1qfu n GLU 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1qfu n ASN 12 N -4.67 -1.78 -4.97 -1.84 6.94 -1.26 -4.79 115.26 102.90 1qfu n ASN 12 Ca 0.12 -2.02 -0.19 0.00 -0.02 0.00 0.00 54.58 52.47 1qfu n ASN 12 Cb 0.40 2.91 0.00 0.00 -2.36 0.00 0.00 39.78 40.73 1qfu n ASN 12 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1qfu s GLY 13 N -3.26 2.00 -0.47 4.83 0.00 -1.26 -5.00 107.32 104.16 1qfu s GLY 13 Ca 0.20 -1.78 -0.14 0.00 0.00 0.00 0.00 44.72 43.00 1qfu s GLY 13 CO 0.07 -1.60 0.39 -0.98 0.00 0.00 0.00 173.10 170.97 1qfu s TRP 14 N -2.45 3.27 0.56 1.90 0.51 -1.26 -4.92 118.94 116.56 1qfu s TRP 14 Ca 0.53 -1.15 0.25 0.00 -2.12 0.00 0.00 56.10 53.60 1qfu s TRP 14 Cb -0.07 -3.25 1.58 0.00 -0.81 0.00 0.00 33.47 30.92 1qfu s TRP 14 CO 0.32 -0.86 2.16 1.49 -0.51 0.00 0.00 176.95 179.55 1qfu h GLU 15 N 8.70 0.00 0.00 4.98 4.81 -2.04 -1.93 114.58 129.10 1qfu h GLU 15 Ca -0.27 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1qfu h GLU 15 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1qfu h GLU 15 CO 0.88 0.00 -0.32 0.78 -0.73 0.00 0.00 179.01 179.63 1qfu h GLY 16 N 0.00 0.00 -7.33 1.92 0.00 -2.04 -3.42 103.07 92.20 1qfu h GLY 16 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.94 1qfu h GLY 16 CO -0.00 0.00 1.10 -0.29 0.00 0.00 0.00 176.54 177.35 1qfu s MET 17 N -3.11 2.79 0.00 4.80 -2.45 -0.73 -4.76 119.30 115.84 1qfu s MET 17 Ca 0.05 -0.04 0.19 0.00 -1.25 0.00 0.00 55.69 54.63 1qfu s MET 17 Cb 0.07 -4.73 0.39 0.00 1.25 0.00 0.00 34.83 31.80 1qfu s MET 17 CO 0.71 -2.84 1.31 0.44 1.05 0.00 0.00 175.02 175.69 1qfu n ILE 18 N 7.32 0.63 0.65 10.11 -6.64 -1.26 -4.44 119.36 125.73 1qfu n ILE 18 Ca 0.27 -0.81 0.08 0.00 -1.77 0.00 0.00 62.75 60.51 1qfu n ILE 18 Cb 0.50 0.83 0.04 0.00 -1.44 0.00 0.00 39.64 39.57 1qfu n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1qfu n ASP 19 N 1.17 2.04 -3.38 7.28 5.75 -1.26 -5.04 116.55 123.11 1qfu n ASP 19 Ca 0.17 -1.52 -0.03 0.00 -0.01 0.00 0.00 54.79 53.39 1qfu n ASP 19 Cb 0.52 0.16 0.02 0.00 -1.03 0.00 0.00 41.12 40.79 1qfu n ASP 19 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1qfu s GLY 20 N -1.47 0.09 -0.19 6.12 0.00 -1.26 -4.84 107.32 105.77 1qfu s GLY 20 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 1qfu s GLY 20 CO 0.26 2.20 0.08 0.79 0.00 0.00 0.00 173.10 176.42 1qfu n TRP 21 N -0.68 0.64 -4.49 1.90 7.02 -1.26 -4.95 117.44 115.62 1qfu n TRP 21 Ca -0.03 0.14 -0.30 0.00 -1.02 0.00 0.00 57.50 56.28 1qfu n TRP 21 Cb 0.60 -1.08 -0.12 0.00 -2.42 0.00 0.00 31.31 28.28 1qfu n TRP 21 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1qfu s TYR 22 N -2.54 2.49 0.19 -5.99 2.02 -1.26 -5.05 117.35 107.21 1qfu s TYR 22 Ca -0.28 -0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 56.02 1qfu s TYR 22 Cb 0.08 -1.37 0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1qfu s TYR 22 CO 0.69 0.31 0.50 0.41 -1.57 0.00 0.00 175.55 175.89 1qfu n GLY 23 N 1.14 1.24 3.32 0.71 0.00 -1.26 -0.24 105.19 110.11 1qfu n GLY 23 Ca -0.16 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 1qfu n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qfu s PHE 24 N -4.63 2.00 -0.04 1.61 0.08 0.01 -4.90 117.98 112.11 1qfu s PHE 24 Ca 0.10 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 1qfu s PHE 24 Cb -0.02 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1qfu s PHE 24 CO 0.06 0.24 0.04 1.03 -0.10 0.00 0.00 175.22 176.49 1qfu s ARG 25 N -1.88 0.10 0.39 0.44 0.52 -1.26 -1.43 118.95 115.82 1qfu s ARG 25 Ca 0.09 0.27 0.07 0.00 -0.52 0.00 0.00 55.73 55.65 1qfu s ARG 25 Cb -0.10 -0.57 -0.07 0.00 0.52 0.00 0.00 34.95 34.73 1qfu s ARG 25 CO 0.05 -0.29 -0.01 -3.38 0.02 0.00 0.00 175.30 171.69 1qfu s HIS 26 N 1.88 2.43 -0.29 -0.53 -3.43 -1.13 -5.01 115.29 109.21 1qfu s HIS 26 Ca 0.02 -0.66 0.02 0.00 -0.80 0.00 0.00 55.06 53.64 1qfu s HIS 26 Cb -0.12 -1.64 0.16 0.00 -1.43 0.00 0.00 32.58 29.55 1qfu s HIS 26 CO -0.03 0.44 0.43 -1.14 -2.00 0.00 0.00 174.74 172.43 1qfu s GLN 27 N -3.71 0.42 0.00 -0.38 0.74 -1.26 -2.86 119.66 112.62 1qfu s GLN 27 Ca 0.34 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.98 1qfu s GLN 27 Cb 0.08 -0.26 0.00 0.00 1.10 0.00 0.00 33.01 33.94 1qfu s GLN 27 CO 0.17 -0.99 0.00 0.27 -0.55 0.00 0.00 175.29 174.20 1qfu n ASN 28 N 5.36 1.46 -0.05 6.67 0.23 -0.57 -5.00 115.26 123.38 1qfu n ASN 28 Ca 0.01 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1qfu n ASN 28 Cb 0.50 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.14 1qfu n ASN 28 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1qfu h SER 29 N 0.00 0.24 0.40 0.53 4.64 -1.95 -3.11 113.55 114.31 1qfu h SER 29 Ca 0.00 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1qfu h SER 29 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1qfu h SER 29 CO 0.00 0.43 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.05 1qfu h GLU 30 N 0.05 0.00 0.00 4.77 5.08 -1.96 -3.48 114.58 119.03 1qfu h GLU 30 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1qfu h GLU 30 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1qfu h GLU 30 CO 0.00 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 1qfu n GLY 31 N -0.65 0.35 3.06 -3.84 0.00 -1.18 -5.11 105.19 97.83 1qfu n GLY 31 Ca -0.02 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1qfu n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qfu s THR 32 N -4.00 0.61 0.36 2.61 -4.23 -1.26 -1.51 115.64 108.23 1qfu s THR 32 Ca 0.00 -0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 59.44 1qfu s THR 32 Cb 0.00 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.23 1qfu s THR 32 CO 0.00 -0.27 0.64 -0.83 -0.54 0.00 0.00 174.62 173.62 1qfu s GLY 33 N -1.35 0.85 -0.04 3.99 0.00 -1.14 -5.03 107.32 104.61 1qfu s GLY 33 Ca -0.07 -1.07 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 1qfu s GLY 33 CO 0.01 -0.61 0.26 1.62 0.00 0.00 0.00 173.10 174.37 1qfu s GLN 34 N -2.75 0.50 -0.25 2.90 0.74 -1.26 -2.84 119.66 116.70 1qfu s GLN 34 Ca 0.22 -0.03 -0.15 0.00 0.05 0.00 0.00 55.36 55.44 1qfu s GLN 34 Cb -0.03 0.22 0.07 0.00 1.10 0.00 0.00 33.01 34.38 1qfu s GLN 34 CO 0.15 -0.12 0.61 0.00 -0.55 0.00 0.00 175.29 175.39 1qfu s ALA 35 N -0.81 -1.62 0.43 1.58 0.00 -0.51 -5.01 121.76 115.81 1qfu s ALA 35 Ca -0.09 2.10 -0.22 0.00 0.00 0.00 0.00 51.96 53.75 1qfu s ALA 35 Cb -0.05 -1.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 1qfu s ALA 35 CO 0.02 -0.34 1.04 0.00 0.00 0.00 0.00 175.76 176.49 1qfu s ALA 36 N 1.37 3.00 -0.53 0.00 0.00 -1.26 -0.81 121.76 123.53 1qfu s ALA 36 Ca -0.08 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 1qfu s ALA 36 Cb -0.06 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.90 1qfu s ALA 36 CO -0.15 -0.24 0.53 0.34 0.00 0.00 0.00 175.76 176.24 1qfu s ASP 37 N -1.74 6.18 0.51 0.00 2.15 0.67 -4.89 116.67 119.56 1qfu s ASP 37 Ca 0.61 -1.50 0.17 0.00 0.43 0.00 0.00 52.55 52.26 1qfu s ASP 37 Cb -0.19 -2.23 1.26 0.00 -0.30 0.00 0.00 42.92 41.46 1qfu s ASP 37 CO 0.24 -0.86 2.13 -0.07 -0.17 0.00 0.00 175.17 176.45 1qfu h LEU 38 N 9.17 0.00 0.23 -1.34 4.07 -1.92 -2.59 115.31 122.94 1qfu h LEU 38 Ca -0.29 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 1qfu h LEU 38 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1qfu h LEU 38 CO 1.00 0.02 -0.11 0.50 -1.08 0.00 0.00 178.44 178.78 1qfu h LYS 39 N 0.00 -0.30 -0.11 1.13 3.64 -1.97 -2.19 116.57 116.77 1qfu h LYS 39 Ca -0.00 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 1qfu h LYS 39 Cb 0.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1qfu h LYS 39 CO 0.00 0.06 -0.62 0.66 -2.27 0.00 0.00 179.45 177.29 1qfu h SER 40 N -0.76 0.44 -0.91 4.20 4.64 -1.95 -2.82 113.55 116.38 1qfu h SER 40 Ca -0.03 -0.26 0.06 0.00 -0.47 0.00 0.00 61.79 61.09 1qfu h SER 40 Cb 0.50 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 1qfu h SER 40 CO 0.05 0.95 0.59 0.74 -0.87 0.00 0.00 176.83 178.30 1qfu h THR 41 N 0.29 1.07 0.00 2.95 2.02 -1.52 -1.82 112.91 115.90 1qfu h THR 41 Ca -0.01 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1qfu h THR 41 Cb 1.16 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1qfu h THR 41 CO 0.11 0.19 -0.03 -0.61 0.37 0.00 0.00 175.52 175.55 1qfu h GLN 42 N 1.05 0.00 -0.12 6.66 5.75 -1.26 -2.33 115.11 124.86 1qfu h GLN 42 Ca 0.39 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.74 1qfu h GLN 42 Cb 0.18 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.74 1qfu h GLN 42 CO -0.15 0.03 -0.53 0.00 -2.65 0.00 0.00 178.83 175.53 1qfu h ALA 43 N 1.97 0.23 0.13 3.38 0.00 -1.10 0.46 119.26 124.32 1qfu h ALA 43 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1qfu h ALA 43 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1qfu h ALA 43 CO 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 179.25 179.62 1qfu h ALA 44 N 0.50 -0.17 -0.08 0.00 0.00 -1.43 -2.55 119.26 115.53 1qfu h ALA 44 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1qfu h ALA 44 Cb 1.17 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1qfu h ALA 44 CO 0.11 -0.48 -0.18 0.82 0.00 0.00 0.00 179.25 179.53 1qfu h ILE 45 N -0.41 0.55 -0.56 0.00 2.04 -1.40 -1.07 117.51 116.66 1qfu h ILE 45 Ca -0.02 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 1qfu h ILE 45 Cb 0.33 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1qfu h ILE 45 CO 0.03 0.00 0.10 0.44 0.00 0.00 0.00 178.15 178.71 1qfu h ASP 46 N -0.25 -0.04 -0.56 1.72 3.32 -0.89 0.39 116.42 120.10 1qfu h ASP 46 Ca 0.08 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1qfu h ASP 46 Cb 0.36 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1qfu h ASP 46 CO -0.22 -0.00 0.18 1.56 -1.72 0.00 0.00 179.24 179.03 1qfu h GLN 47 N 0.22 0.87 -0.19 3.56 4.20 -0.98 -0.42 115.11 122.37 1qfu h GLN 47 Ca 0.29 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1qfu h GLN 47 Cb 0.43 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1qfu h GLN 47 CO -0.39 0.78 0.01 0.82 -0.67 0.00 0.00 178.83 179.39 1qfu h ILE 48 N 0.78 1.24 0.00 2.54 2.04 -0.49 -2.37 117.51 121.25 1qfu h ILE 48 Ca 0.18 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1qfu h ILE 48 Cb 0.27 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1qfu h ILE 48 CO -0.01 0.24 -0.04 0.78 0.00 0.00 0.00 178.15 179.13 1qfu h ASN 49 N 0.10 0.00 0.32 1.72 4.21 -0.83 -0.67 115.58 120.43 1qfu h ASN 49 Ca 0.06 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.38 1qfu h ASN 49 Cb 0.35 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1qfu h ASN 49 CO 0.01 0.04 -0.74 1.23 -1.29 0.00 0.00 177.43 176.68 1qfu h GLY 50 N 0.71 0.39 1.60 2.83 0.00 -0.57 -2.11 103.07 105.92 1qfu h GLY 50 Ca -0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 47.33 46.52 1qfu h GLY 50 CO 0.01 0.50 -1.28 0.07 0.00 0.00 0.00 176.54 175.84 1qfu h LYS 51 N 0.24 0.08 -0.40 4.80 2.10 -0.93 -3.06 116.57 119.39 1qfu h LYS 51 Ca -0.03 -0.14 0.04 0.00 -2.00 0.00 0.00 60.65 58.52 1qfu h LYS 51 Cb 1.31 0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 32.65 1qfu h LYS 51 CO 0.12 0.94 0.17 1.25 -2.00 0.00 0.00 179.45 179.94 1qfu h LEU 52 N 0.02 0.22 -0.46 7.07 5.85 -1.07 -0.23 115.31 126.71 1qfu h LEU 52 Ca -0.13 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1qfu h LEU 52 Cb 1.89 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 1qfu h LEU 52 CO 0.13 0.17 0.23 0.78 -0.34 0.00 0.00 178.44 179.41 1qfu h ASN 53 N 0.35 0.60 -0.01 1.25 -0.26 -1.43 -1.93 115.58 114.15 1qfu h ASN 53 Ca 0.18 -0.12 0.03 0.00 -0.56 0.00 0.00 56.30 55.83 1qfu h ASN 53 Cb 0.12 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 1qfu h ASN 53 CO -0.15 0.54 -0.18 -0.09 -1.06 0.00 0.00 177.43 176.49 1qfu h ARG 54 N 0.61 -0.27 0.50 0.81 2.43 -1.26 -3.13 114.38 114.07 1qfu h ARG 54 Ca 0.16 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1qfu h ARG 54 Cb 0.10 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1qfu h ARG 54 CO -0.02 -0.18 -0.28 0.28 -1.51 0.00 0.00 179.97 178.25 1qfu h VAL 55 N -0.28 0.00 -0.29 0.20 2.07 -0.90 -3.10 116.25 113.95 1qfu h VAL 55 Ca 0.06 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.31 1qfu h VAL 55 Cb 0.36 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.03 1qfu h VAL 55 CO -0.18 0.00 -0.16 2.30 0.02 0.00 0.00 177.57 179.55 1qfu n ILE 56 N -4.10 3.06 -0.00 4.57 -5.35 -0.74 -4.87 119.36 111.93 1qfu n ILE 56 Ca -0.09 -1.88 0.00 0.00 -0.27 0.00 0.00 62.75 60.51 1qfu n ILE 56 Cb 0.30 -1.87 0.00 0.00 -1.74 0.00 0.00 39.64 36.32 1qfu n ILE 56 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1qfu n GLU 57 N 2.02 3.85 -3.26 6.28 2.13 -1.17 -4.94 120.64 125.55 1qfu n GLU 57 Ca 0.43 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.83 1qfu n GLU 57 Cb 0.81 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.44 1qfu n GLU 57 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1qfu s LYS 58 N 0.04 3.36 0.00 5.31 -0.14 -1.26 -5.02 119.74 122.04 1qfu s LYS 58 Ca 0.00 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.17 1qfu s LYS 58 Cb 0.00 -3.89 0.00 0.00 -1.68 0.00 0.00 37.83 32.26 1qfu s LYS 58 CO 0.00 -0.78 0.00 2.41 -0.76 0.00 0.00 175.35 176.22 1qfu n THR 59 N 5.51 0.00 0.02 2.17 -1.04 -1.26 -4.95 114.28 114.73 1qfu n THR 59 Ca -0.05 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.93 1qfu n THR 59 Cb 0.48 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 1qfu n THR 59 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1qfu h ASN 60 N 0.00 -0.24 -4.39 8.00 -0.00 -2.05 -3.48 115.58 113.41 1qfu h ASN 60 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1qfu h ASN 60 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1qfu h ASN 60 CO 0.00 -0.09 -0.14 1.21 -0.00 0.00 0.00 177.43 178.41 1qfu n GLU 61 N -2.89 -1.10 -4.27 6.67 2.13 -1.26 -5.10 120.64 114.81 1qfu n GLU 61 Ca -0.01 1.28 -0.29 0.00 0.66 0.00 0.00 57.16 58.79 1qfu n GLU 61 Cb 0.06 -4.03 -0.11 0.00 0.27 0.00 0.00 31.44 27.64 1qfu n GLU 61 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1qfu s LYS 62 N -2.50 1.93 0.00 5.31 -0.14 -1.26 -5.11 119.74 117.97 1qfu s LYS 62 Ca 0.07 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.54 1qfu s LYS 62 Cb -0.02 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 1qfu s LYS 62 CO 0.45 0.48 0.00 1.19 -0.76 0.00 0.00 175.35 176.72 1qfu n PHE 63 N 0.67 0.00 -2.61 3.18 3.72 -1.26 -5.03 117.46 116.13 1qfu n PHE 63 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 1qfu n PHE 63 Cb 0.53 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 1qfu n PHE 63 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1qfu s HIS 64 N 1.37 3.60 0.00 1.38 2.46 -1.26 -4.96 115.29 117.89 1qfu s HIS 64 Ca 0.00 1.58 0.00 0.00 0.47 0.00 0.00 55.06 57.11 1qfu s HIS 64 Cb 0.00 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.23 1qfu s HIS 64 CO 0.00 -0.42 0.00 1.04 -2.47 0.00 0.00 174.74 172.89 1qfu n GLN 65 N 3.68 0.00 -3.74 2.88 6.02 -1.26 -5.18 117.38 119.79 1qfu n GLN 65 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 1qfu n GLN 65 Cb 0.49 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.71 1qfu n GLN 65 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1qfu s ILE 66 N 0.92 0.04 0.29 5.09 -4.36 -1.26 -5.15 121.20 116.76 1qfu s ILE 66 Ca 0.00 -0.79 -0.27 0.00 -0.26 0.00 0.00 60.65 59.33 1qfu s ILE 66 Cb 0.00 -1.52 -0.10 0.00 1.25 0.00 0.00 42.46 42.10 1qfu s ILE 66 CO 0.00 -0.17 0.94 -1.61 0.24 0.00 0.00 174.94 174.34 1qfu s GLU 67 N -3.87 4.68 0.00 0.37 0.41 -1.26 -4.95 118.70 114.08 1qfu s GLU 67 Ca 0.09 1.38 0.00 0.00 -0.41 0.00 0.00 54.97 56.03 1qfu s GLU 67 Cb -0.00 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1qfu s GLU 67 CO -0.04 0.37 0.21 1.63 -0.49 0.00 0.00 175.26 176.94 1qfu n LYS 68 N 0.92 3.19 -4.53 1.61 5.02 -1.26 -4.87 118.16 118.23 1qfu n LYS 68 Ca 0.00 -0.21 -0.22 0.00 -2.02 0.00 0.00 58.31 55.86 1qfu n LYS 68 Cb 0.49 -0.69 -0.16 0.00 -0.02 0.00 0.00 35.03 34.65 1qfu n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qfu s GLU 69 N -0.51 1.25 -0.04 1.97 2.02 -1.26 -5.05 118.70 117.07 1qfu s GLU 69 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 54.97 54.64 1qfu s GLU 69 Cb 0.00 -1.12 -0.00 0.00 0.10 0.00 0.00 34.13 33.10 1qfu s GLU 69 CO 0.00 0.14 -0.17 -0.06 0.02 0.00 0.00 175.26 175.19 1qfu s PHE 70 N 0.20 1.69 -0.12 1.61 0.40 -1.26 -5.04 117.98 115.46 1qfu s PHE 70 Ca -0.04 -0.47 0.17 0.00 -0.60 0.00 0.00 56.93 55.99 1qfu s PHE 70 Cb -0.10 -1.14 -0.18 0.00 0.51 0.00 0.00 43.02 42.11 1qfu s PHE 70 CO 0.01 -0.15 0.67 -1.13 0.70 0.00 0.00 175.22 175.31 1qfu n SER 71 N 3.11 0.63 -4.45 1.36 3.41 -1.26 -4.94 113.62 111.49 1qfu n SER 71 Ca -0.18 0.28 -0.27 0.00 -0.26 0.00 0.00 58.87 58.44 1qfu n SER 71 Cb 0.53 0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 64.85 1qfu n SER 71 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1qfu s GLU 72 N -2.92 1.62 -0.11 4.33 8.01 -1.26 -5.12 118.70 123.25 1qfu s GLU 72 Ca -0.05 -1.45 -0.20 0.00 0.01 0.00 0.00 54.97 53.28 1qfu s GLU 72 Cb 0.09 -1.92 -0.04 0.00 -4.31 0.00 0.00 34.13 27.95 1qfu s GLU 72 CO 0.83 0.41 0.58 0.08 0.01 0.00 0.00 175.26 177.17 1qfu s VAL 73 N -1.61 5.11 0.00 2.63 1.01 -1.26 -4.96 120.40 121.32 1qfu s VAL 73 Ca 0.21 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1qfu s VAL 73 Cb -0.08 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1qfu s VAL 73 CO 0.10 0.26 0.00 -0.62 0.00 0.00 0.00 175.10 174.85 1qfu n GLU 74 N 3.94 3.31 0.00 2.72 1.02 -1.26 -5.14 120.64 125.22 1qfu n GLU 74 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1qfu n GLU 74 Cb 0.51 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1qfu n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qfu n GLY 75 N 0.89 -0.04 0.00 0.62 0.00 -1.26 -4.71 105.19 100.69 1qfu n GLY 75 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1qfu n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qfu n ARG 76 N 3.08 0.00 -0.04 1.61 0.63 -1.26 -0.16 116.66 120.51 1qfu n ARG 76 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1qfu n ARG 76 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1qfu n ARG 76 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1qfu h ILE 77 N 0.00 1.33 -0.52 5.15 1.08 -2.00 -2.74 117.51 119.80 1qfu h ILE 77 Ca 0.00 -1.14 0.04 0.00 -0.39 0.00 0.00 64.86 63.38 1qfu h ILE 77 Cb 0.00 1.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 1qfu h ILE 77 CO 0.00 0.33 0.35 -0.61 -0.69 0.00 0.00 178.15 177.52 1qfu h GLN 78 N -0.11 0.52 0.36 2.37 4.15 -0.87 0.32 115.11 121.84 1qfu h GLN 78 Ca 0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1qfu h GLN 78 Cb 0.55 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1qfu h GLN 78 CO 0.02 0.35 -0.17 -0.44 -1.93 0.00 0.00 178.83 176.66 1qfu h ASP 79 N 0.54 -0.40 -0.72 -0.69 3.32 -1.10 -1.90 116.42 115.46 1qfu h ASP 79 Ca 0.22 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1qfu h ASP 79 Cb 0.18 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1qfu h ASP 79 CO -0.06 -0.29 0.33 0.25 -1.72 0.00 0.00 179.24 177.76 1qfu h LEU 80 N -0.48 0.96 -0.40 1.55 5.85 -1.06 -1.58 115.31 120.15 1qfu h LEU 80 Ca -0.05 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1qfu h LEU 80 Cb 0.37 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1qfu h LEU 80 CO 0.08 0.83 0.20 -0.33 -0.34 0.00 0.00 178.44 178.88 1qfu h GLU 81 N 1.05 0.57 -0.43 1.25 5.08 -0.79 -0.38 114.58 120.93 1qfu h GLU 81 Ca 0.25 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1qfu h GLU 81 Cb 0.14 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1qfu h GLU 81 CO -0.03 0.49 -0.13 0.87 -1.00 0.00 0.00 179.01 179.21 1qfu h LYS 82 N 0.51 0.85 -0.73 2.33 1.57 -1.14 -2.92 116.57 117.04 1qfu h LYS 82 Ca 0.14 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1qfu h LYS 82 Cb 0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1qfu h LYS 82 CO -0.02 0.97 0.40 -0.92 -0.57 0.00 0.00 179.45 179.31 1qfu h TYR 83 N 0.68 1.00 -0.56 -1.35 3.20 -1.12 0.32 116.97 119.14 1qfu h TYR 83 Ca 0.11 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1qfu h TYR 83 Cb 0.67 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1qfu h TYR 83 CO 0.05 0.70 0.29 0.28 -1.64 0.00 0.00 178.16 177.85 1qfu h VAL 84 N 1.00 0.95 -0.22 1.81 2.07 -0.96 -0.15 116.25 120.75 1qfu h VAL 84 Ca 0.26 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 1qfu h VAL 84 Cb 0.04 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1qfu h VAL 84 CO -0.04 0.10 -0.51 -0.08 0.02 0.00 0.00 177.57 177.06 1qfu h GLU 85 N 0.55 0.74 -0.20 1.57 4.57 -1.25 -2.52 114.58 118.04 1qfu h GLU 85 Ca 0.25 -0.50 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1qfu h GLU 85 Cb 0.16 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1qfu h GLU 85 CO -0.17 1.12 0.11 0.22 -1.18 0.00 0.00 179.01 179.11 1qfu h ASP 86 N 0.47 0.25 0.65 1.04 3.58 -0.71 -0.16 116.42 121.54 1qfu h ASP 86 Ca -0.00 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 1qfu h ASP 86 Cb 1.13 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 1qfu h ASP 86 CO 0.11 0.26 -0.18 0.71 -2.88 0.00 0.00 179.24 177.26 1qfu h THR 87 N 0.22 0.56 0.17 2.25 1.35 -1.06 -1.80 112.91 114.61 1qfu h THR 87 Ca 0.07 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1qfu h THR 87 Cb 0.06 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1qfu h THR 87 CO -0.01 0.17 -0.08 0.50 -0.25 0.00 0.00 175.52 175.85 1qfu h LYS 88 N 0.00 -0.23 -0.79 4.72 3.64 -0.88 -2.34 116.57 120.69 1qfu h LYS 88 Ca -0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1qfu h LYS 88 Cb 0.55 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 1qfu h LYS 88 CO 0.02 0.19 0.41 0.82 -2.27 0.00 0.00 179.45 178.63 1qfu h ILE 89 N -0.82 0.82 -0.65 2.00 2.04 -0.94 -1.18 117.51 118.78 1qfu h ILE 89 Ca -0.02 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1qfu h ILE 89 Cb 0.52 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1qfu h ILE 89 CO 0.04 0.12 0.42 0.44 0.00 0.00 0.00 178.15 179.17 1qfu h ASP 90 N 0.66 0.72 -0.12 1.72 5.19 -1.31 0.93 116.42 124.20 1qfu h ASP 90 Ca 0.40 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.67 1qfu h ASP 90 Cb 0.47 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1qfu h ASP 90 CO -0.30 0.51 -0.37 -0.07 -3.12 0.00 0.00 179.24 175.89 1qfu h LEU 91 N 0.85 0.67 -0.49 1.55 3.38 -0.80 -2.62 115.31 117.85 1qfu h LEU 91 Ca 0.25 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1qfu h LEU 91 Cb -0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1qfu h LEU 91 CO -0.07 0.98 -0.53 -0.50 0.09 0.00 0.00 178.44 178.41 1qfu h TRP 92 N 0.53 0.00 0.00 1.13 4.06 -0.90 -2.61 115.95 118.16 1qfu h TRP 92 Ca 0.05 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.94 1qfu h TRP 92 Cb 0.88 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 1qfu h TRP 92 CO 0.04 0.53 -0.29 0.77 -3.56 0.00 0.00 178.44 175.93 1qfu h SER 93 N 0.00 0.00 0.02 -3.49 0.02 -0.65 -1.87 113.55 107.57 1qfu h SER 93 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1qfu h SER 93 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1qfu h SER 93 CO 0.07 0.29 -0.01 0.22 -1.14 0.00 0.00 176.83 176.26 1qfu h TYR 94 N 0.00 -0.02 -0.67 3.45 5.03 -1.42 -2.98 116.97 120.37 1qfu h TYR 94 Ca -0.00 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.45 1qfu h TYR 94 Cb 0.93 0.01 -0.13 0.00 1.55 0.00 0.00 36.73 39.09 1qfu h TYR 94 CO 0.00 0.51 -0.13 -0.91 -1.32 0.00 0.00 178.16 176.31 1qfu h ASN 95 N -0.99 -0.55 -0.19 -2.11 4.21 -1.47 0.53 115.58 115.01 1qfu h ASN 95 Ca -0.00 0.19 -0.00 0.00 1.21 0.00 0.00 56.30 57.70 1qfu h ASN 95 Cb 0.54 0.39 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 1qfu h ASN 95 CO 0.00 -0.21 0.10 0.00 -1.29 0.00 0.00 177.43 176.04 1qfu h ALA 96 N 1.66 0.25 0.29 -0.83 0.00 -1.46 -0.51 119.26 118.66 1qfu h ALA 96 Ca 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1qfu h ALA 96 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qfu h ALA 96 CO -0.67 -0.21 -0.28 1.49 0.00 0.00 0.00 179.25 179.58 1qfu h GLU 97 N 0.20 -0.55 -0.64 0.00 4.57 -1.09 -1.89 114.58 115.19 1qfu h GLU 97 Ca 0.07 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.41 1qfu h GLU 97 Cb 0.08 0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 28.70 1qfu h GLU 97 CO -0.01 -0.37 0.12 1.25 -1.18 0.00 0.00 179.01 178.82 1qfu h LEU 98 N -0.57 -0.04 -0.43 1.64 5.85 -0.94 -1.63 115.31 119.19 1qfu h LEU 98 Ca -0.04 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1qfu h LEU 98 Cb 0.49 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1qfu h LEU 98 CO -0.03 -0.02 0.14 0.25 -0.34 0.00 0.00 178.44 178.44 1qfu h LEU 99 N 0.24 0.14 -1.27 2.25 5.85 -0.89 -0.15 115.31 121.47 1qfu h LEU 99 Ca 0.34 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 1qfu h LEU 99 Cb 0.54 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1qfu h LEU 99 CO -0.45 0.11 -0.33 0.58 -0.34 0.00 0.00 178.44 178.01 1qfu h VAL 100 N 0.31 1.25 0.03 1.05 2.07 -0.49 -1.79 116.25 118.68 1qfu h VAL 100 Ca 0.20 -1.18 -0.25 0.00 0.82 0.00 0.00 66.70 66.29 1qfu h VAL 100 Cb 0.20 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1qfu h VAL 100 CO -0.22 0.34 -1.05 0.00 0.02 0.00 0.00 177.57 176.67 1qfu h ALA 101 N 1.62 0.21 0.38 1.67 0.00 -0.53 -2.48 119.26 120.12 1qfu h ALA 101 Ca 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1qfu h ALA 101 Cb 0.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qfu h ALA 101 CO 0.04 0.77 -0.18 -0.07 0.00 0.00 0.00 179.25 179.81 1qfu h LEU 102 N 0.28 -0.43 -0.50 0.00 3.38 -0.90 -2.43 115.31 114.71 1qfu h LEU 102 Ca -0.12 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.82 1qfu h LEU 102 Cb 1.70 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.48 1qfu h LEU 102 CO 0.19 -0.07 -0.02 -0.33 0.09 0.00 0.00 178.44 178.30 1qfu h GLU 103 N -0.83 0.09 -0.54 1.13 4.39 -1.43 -1.21 114.58 116.17 1qfu h GLU 103 Ca -0.05 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1qfu h GLU 103 Cb 0.54 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1qfu h GLU 103 CO 0.08 0.06 0.31 -0.91 -1.16 0.00 0.00 179.01 177.39 1qfu h ASN 104 N 0.09 0.47 -0.39 1.42 2.35 -1.47 0.18 115.58 118.24 1qfu h ASN 104 Ca 0.25 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1qfu h ASN 104 Cb 0.39 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1qfu h ASN 104 CO -0.44 0.33 0.25 -0.61 -1.65 0.00 0.00 177.43 175.31 1qfu h GLN 105 N 0.60 0.52 -0.63 0.81 5.75 -0.88 -2.47 115.11 118.80 1qfu h GLN 105 Ca 0.23 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 1qfu h GLN 105 Cb 0.08 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 1qfu h GLN 105 CO -0.13 0.36 0.14 1.25 -2.65 0.00 0.00 178.83 177.80 1qfu h HIS 106 N 0.53 1.05 -0.78 3.99 2.76 -0.69 -1.96 115.15 120.05 1qfu h HIS 106 Ca 0.14 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 1qfu h HIS 106 Cb -0.04 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.58 1qfu h HIS 106 CO -0.05 0.87 0.29 1.15 -1.30 0.00 0.00 177.93 178.90 1qfu h THR 107 N 0.96 1.26 0.71 6.26 2.02 -0.42 -0.37 112.91 123.32 1qfu h THR 107 Ca 0.20 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1qfu h THR 107 Cb 0.36 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1qfu h THR 107 CO 0.00 0.34 -0.34 0.40 0.37 0.00 0.00 175.52 176.30 1qfu h ILE 108 N 1.14 0.00 -0.95 3.11 2.04 -1.08 -1.11 117.51 120.67 1qfu h ILE 108 Ca 0.26 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 66.15 1qfu h ILE 108 Cb 0.24 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.22 1qfu h ILE 108 CO -0.02 0.00 0.53 0.44 0.00 0.00 0.00 178.15 179.10 1qfu h ASP 109 N -1.10 0.65 -0.37 1.72 3.32 -1.34 0.11 116.42 119.40 1qfu h ASP 109 Ca -0.10 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1qfu h ASP 109 Cb 0.73 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1qfu h ASP 109 CO 0.16 0.21 0.06 0.25 -1.72 0.00 0.00 179.24 178.21 1qfu h LEU 110 N 0.67 0.59 -0.78 1.55 6.46 -1.03 0.16 115.31 122.92 1qfu h LEU 110 Ca 0.55 -0.26 -0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1qfu h LEU 110 Cb 0.87 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1qfu h LEU 110 CO -0.40 0.69 -0.20 0.71 -0.62 0.00 0.00 178.44 178.63 1qfu h THR 111 N 0.46 0.41 -0.00 1.05 1.35 0.18 -1.71 112.91 114.65 1qfu h THR 111 Ca 0.11 -1.19 -0.19 0.00 -0.55 0.00 0.00 66.41 64.60 1qfu h THR 111 Cb 0.35 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1qfu h THR 111 CO 0.01 0.19 -0.84 -0.78 -0.25 0.00 0.00 175.52 173.85 1qfu h ASP 112 N 0.00 0.21 -0.32 5.36 3.58 -0.55 -3.13 116.42 121.56 1qfu h ASP 112 Ca -0.00 -0.17 -0.14 0.00 0.42 0.00 0.00 57.03 57.14 1qfu h ASP 112 Cb 0.86 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 1qfu h ASP 112 CO 0.03 0.95 -0.36 -1.28 -2.88 0.00 0.00 179.24 175.70 1qfu h SER 113 N 0.09 0.88 0.71 2.28 0.87 -0.26 -2.46 113.55 115.66 1qfu h SER 113 Ca -0.03 -0.48 -0.05 0.00 -1.23 0.00 0.00 61.79 59.99 1qfu h SER 113 Cb 1.45 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1qfu h SER 113 CO 0.12 1.18 -0.25 -0.33 -0.53 0.00 0.00 176.83 177.02 1qfu h GLU 114 N 0.59 0.00 0.18 2.24 4.39 -1.37 -1.22 114.58 119.39 1qfu h GLU 114 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1qfu h GLU 114 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1qfu h GLU 114 CO 0.09 0.25 -0.09 1.98 -1.16 0.00 0.00 179.01 180.08 1qfu h MET 115 N 0.00 -0.23 0.00 2.33 4.05 -1.47 -2.73 114.93 116.88 1qfu h MET 115 Ca -0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1qfu h MET 115 Cb 0.67 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1qfu h MET 115 CO 0.03 0.18 0.00 -1.71 0.23 0.00 0.00 176.91 175.64 1qfu n ASN 116 N -4.96 0.45 -0.04 1.39 5.15 -0.94 -0.94 115.26 115.38 1qfu n ASN 116 Ca -0.08 0.69 -0.10 0.00 -0.60 0.00 0.00 54.58 54.49 1qfu n ASN 116 Cb 0.26 -0.76 -0.14 0.00 -0.53 0.00 0.00 39.78 38.61 1qfu n ASN 116 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1qfu n LYS 117 N -2.09 0.65 -0.18 1.20 5.02 -0.48 -3.13 118.16 119.16 1qfu n LYS 117 Ca -0.00 0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 1qfu n LYS 117 Cb 0.06 -1.73 0.01 0.00 -0.02 0.00 0.00 35.03 33.35 1qfu n LYS 117 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1qfu h LEU 118 N 0.01 0.78 0.43 -0.35 5.85 -0.71 -2.30 115.31 119.02 1qfu h LEU 118 Ca -0.35 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 1qfu h LEU 118 Cb 2.06 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1qfu h LEU 118 CO 0.07 0.82 -0.21 0.15 -0.34 0.00 0.00 178.44 178.93 1qfu h PHE 119 N 0.71 -0.53 -0.76 1.25 3.04 -1.49 -1.29 116.94 117.87 1qfu h PHE 119 Ca 0.16 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.10 1qfu h PHE 119 Cb 0.35 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1qfu h PHE 119 CO 0.02 -0.31 0.50 0.93 -2.02 0.00 0.00 178.31 177.43 1qfu h GLU 120 N -0.62 1.01 0.01 1.11 4.39 -1.55 0.31 114.58 119.23 1qfu h GLU 120 Ca -0.06 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1qfu h GLU 120 Cb 0.46 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1qfu h GLU 120 CO 0.10 0.68 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.40 1qfu h LYS 121 N 1.04 -0.01 -0.67 2.33 3.64 -1.24 0.69 116.57 122.35 1qfu h LYS 121 Ca 0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1qfu h LYS 121 Cb -0.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1qfu h LYS 121 CO -0.06 0.30 0.40 1.15 -2.27 0.00 0.00 179.45 178.97 1qfu h THR 122 N -0.32 1.19 -0.73 1.00 2.02 -0.92 -1.96 112.91 113.20 1qfu h THR 122 Ca -0.00 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 1qfu h THR 122 Cb 0.31 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1qfu h THR 122 CO 0.00 0.21 0.27 -0.09 0.37 0.00 0.00 175.52 176.27 1qfu h ARG 123 N 0.93 1.11 0.00 6.66 2.43 -0.14 -2.22 114.38 123.15 1qfu h ARG 123 Ca 0.24 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1qfu h ARG 123 Cb -0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1qfu h ARG 123 CO -0.04 0.93 0.00 0.54 -1.51 0.00 0.00 179.97 179.88 1qfu n ARG 124 N -4.31 0.16 0.00 0.20 1.74 0.21 -3.17 116.66 111.49 1qfu n ARG 124 Ca 0.06 0.31 -0.20 0.00 -0.77 0.00 0.00 57.85 57.25 1qfu n ARG 124 Cb 0.20 -1.76 -0.14 0.00 -1.02 0.00 0.00 32.46 29.75 1qfu n ARG 124 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1qfu h GLN 125 N 0.00 0.22 0.00 5.56 4.15 -0.91 -3.32 115.11 120.81 1qfu h GLN 125 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1qfu h GLN 125 Cb 0.43 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1qfu h GLN 125 CO 0.00 1.18 0.00 -0.07 -1.93 0.00 0.00 178.83 178.01 1qfu h LEU 126 N -0.45 0.00 0.00 -2.39 3.38 -1.46 -3.42 115.31 110.97 1qfu h LEU 126 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1qfu h LEU 126 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1qfu h LEU 126 CO 0.06 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.13 1qfu n ARG 127 N -2.36 0.00 -0.04 1.13 5.12 -1.23 -0.91 116.66 118.38 1qfu n ARG 127 Ca -0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 1qfu n ARG 127 Cb 0.11 0.00 0.46 0.00 -1.16 0.00 0.00 32.46 31.87 1qfu n ARG 127 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1qfu n GLU 128 N 14.00 1.69 -0.03 5.56 -0.58 -1.26 -4.15 120.64 135.87 1qfu n GLU 128 Ca 0.00 -1.02 0.06 0.00 -0.42 0.00 0.00 57.16 55.77 1qfu n GLU 128 Cb 0.00 -1.44 0.28 0.00 -0.57 0.00 0.00 31.44 29.71 1qfu n GLU 128 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1qfu n ASN 129 N 0.24 0.42 -3.87 1.62 3.02 -0.09 -4.65 115.26 111.95 1qfu n ASN 129 Ca 0.18 -1.74 -0.09 0.00 -0.03 0.00 0.00 54.58 52.90 1qfu n ASN 129 Cb 0.34 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.43 1qfu n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfu s ALA 130 N -1.92 -0.78 0.06 5.41 0.00 -1.26 -1.56 121.76 121.72 1qfu s ALA 130 Ca 0.17 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1qfu s ALA 130 Cb 0.08 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 24.10 1qfu s ALA 130 CO 0.13 -0.90 -0.07 -1.21 0.00 0.00 0.00 175.76 173.72 1qfu s GLU 131 N -3.94 0.64 -0.19 0.00 2.02 -0.04 -4.93 118.70 112.27 1qfu s GLU 131 Ca 0.14 -0.98 -0.16 0.00 0.02 0.00 0.00 54.97 53.99 1qfu s GLU 131 Cb -0.02 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.93 1qfu s GLU 131 CO 0.05 0.02 0.40 -2.00 0.02 0.00 0.00 175.26 173.74 1qfu s GLU 132 N -2.49 4.19 0.00 1.61 2.12 -1.26 0.13 118.70 123.00 1qfu s GLU 132 Ca -0.01 0.21 0.28 0.00 0.36 0.00 0.00 54.97 55.81 1qfu s GLU 132 Cb -0.04 -3.52 1.59 0.00 0.26 0.00 0.00 34.13 32.42 1qfu s GLU 132 CO -0.02 -0.01 2.00 -1.33 -0.54 0.00 0.00 175.26 175.36 1qfu n MET 133 N 4.36 0.73 -0.87 4.30 2.81 0.69 -4.87 117.12 124.27 1qfu n MET 133 Ca -0.08 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1qfu n MET 133 Cb 0.51 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1qfu n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qfu n GLY 134 N 0.83 0.64 0.21 3.03 0.00 -1.26 -4.88 105.19 103.77 1qfu n GLY 134 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1qfu n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qfu n ASN 135 N 0.00 1.54 0.00 1.61 6.94 -1.26 -4.89 115.26 119.19 1qfu n ASN 135 Ca 0.00 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 1qfu n ASN 135 Cb 0.00 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1qfu n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qfu n GLY 136 N -0.93 1.05 3.72 4.83 0.00 -1.25 -4.58 105.19 108.04 1qfu n GLY 136 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1qfu n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfu s PHE 138 N -0.65 3.35 -0.37 0.00 0.08 -1.26 -0.23 117.98 118.90 1qfu s PHE 138 Ca 0.11 0.23 -0.23 0.00 0.12 0.00 0.00 56.93 57.15 1qfu s PHE 138 Cb -0.12 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1qfu s PHE 138 CO 0.02 0.25 0.80 0.21 -0.10 0.00 0.00 175.22 176.40 1qfu s LYS 139 N 0.30 3.73 -0.33 0.44 2.20 0.34 -4.87 119.74 121.55 1qfu s LYS 139 Ca 0.06 0.30 -0.22 0.00 -0.36 0.00 0.00 55.97 55.75 1qfu s LYS 139 Cb -0.12 -3.82 -0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1qfu s LYS 139 CO -0.01 -0.89 0.71 0.42 -0.36 0.00 0.00 175.35 175.23 1qfu s ILE 140 N 3.16 4.84 -0.22 5.43 1.01 -1.26 -0.86 121.20 133.31 1qfu s ILE 140 Ca 0.32 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 61.86 1qfu s ILE 140 Cb -0.13 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 38.23 1qfu s ILE 140 CO 0.18 -0.27 2.70 -1.22 0.00 0.00 0.00 174.94 176.33 1qfu n TYR 141 N 6.12 0.87 -3.53 3.97 4.01 -0.60 -4.86 117.16 123.14 1qfu n TYR 141 Ca 0.01 -1.66 -0.10 0.00 -0.16 0.00 0.00 57.90 55.99 1qfu n TYR 141 Cb 0.48 -1.19 -0.02 0.00 -0.31 0.00 0.00 39.34 38.31 1qfu n TYR 141 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1qfu s HIS 142 N -0.69 -0.41 0.14 -0.72 -3.43 -1.26 -3.60 115.29 105.31 1qfu s HIS 142 Ca 0.44 0.18 -0.31 0.00 -0.80 0.00 0.00 55.06 54.57 1qfu s HIS 142 Cb 0.27 0.58 -0.09 0.00 -1.43 0.00 0.00 32.58 31.91 1qfu s HIS 142 CO -0.07 -0.82 1.53 0.15 -2.00 0.00 0.00 174.74 173.53 1qfu s LYS 143 N -3.57 4.24 -0.29 -0.38 1.02 -1.26 -4.96 119.74 114.53 1qfu s LYS 143 Ca 0.04 2.28 -0.04 0.00 0.02 0.00 0.00 55.97 58.27 1qfu s LYS 143 Cb -0.02 -3.25 0.10 0.00 -0.52 0.00 0.00 37.83 34.15 1qfu s LYS 143 CO -0.08 -0.58 0.14 0.00 -0.92 0.00 0.00 175.35 173.90 1qfu n ASP 145 N 5.17 -0.04 -0.12 0.00 5.75 -1.26 -4.37 116.55 121.68 1qfu n ASP 145 Ca -0.05 -0.27 -0.12 0.00 -0.01 0.00 0.00 54.79 54.34 1qfu n ASP 145 Cb 0.42 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 1qfu n ASP 145 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1qfu h ASN 146 N -0.04 0.80 0.47 -1.12 2.35 -1.99 -2.33 115.58 113.72 1qfu h ASN 146 Ca 0.00 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1qfu h ASN 146 Cb 0.00 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1qfu h ASN 146 CO 0.00 1.06 -0.04 0.00 -1.65 0.00 0.00 177.43 176.80 1qfu h ALA 147 N 0.77 1.09 -0.01 -0.83 0.00 -1.99 -0.35 119.26 117.94 1qfu h ALA 147 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1qfu h ALA 147 Cb 0.78 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1qfu h ALA 147 CO 0.06 0.05 -0.32 0.00 0.00 0.00 0.00 179.25 179.04 1qfu h ILE 149 N -0.38 1.05 -0.76 0.00 1.08 -0.80 -2.54 117.51 115.17 1qfu h ILE 149 Ca -0.04 -0.15 0.11 0.00 -0.39 0.00 0.00 64.86 64.39 1qfu h ILE 149 Cb 1.05 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 35.28 1qfu h ILE 149 CO 0.06 0.08 0.39 -0.08 -0.69 0.00 0.00 178.15 177.91 1qfu h GLU 150 N 0.45 0.61 -0.21 2.37 4.57 -1.16 -0.17 114.58 121.04 1qfu h GLU 150 Ca 0.14 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1qfu h GLU 150 Cb -0.01 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1qfu h GLU 150 CO -0.06 0.40 -0.04 0.66 -1.18 0.00 0.00 179.01 178.80 1qfu h SER 151 N 0.63 0.29 0.23 1.04 4.64 -1.18 0.39 113.55 119.59 1qfu h SER 151 Ca 0.38 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1qfu h SER 151 Cb 0.44 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1qfu h SER 151 CO -0.29 0.38 -0.11 0.40 -0.87 0.00 0.00 176.83 176.34 1qfu h ILE 152 N 0.31 0.83 -0.98 0.95 2.04 -0.99 0.67 117.51 120.33 1qfu h ILE 152 Ca 0.07 -0.76 0.12 0.00 1.00 0.00 0.00 64.86 65.29 1qfu h ILE 152 Cb 0.27 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.50 1qfu h ILE 152 CO 0.01 0.16 0.61 0.03 0.00 0.00 0.00 178.15 178.96 1qfu h ARG 153 N -0.72 0.94 -0.57 2.37 3.08 -0.67 -1.38 114.38 117.44 1qfu h ARG 153 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1qfu h ARG 153 Cb 0.49 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1qfu h ARG 153 CO 0.05 0.62 0.00 0.27 -1.07 0.00 0.00 179.97 179.84 1qfu n ASN 154 N -4.64 3.08 -0.60 7.04 0.23 0.13 -4.96 115.26 115.55 1qfu n ASN 154 Ca 0.18 -2.04 -0.08 0.00 -0.53 0.00 0.00 54.58 52.11 1qfu n ASN 154 Cb 0.35 -0.39 -0.03 0.00 -2.08 0.00 0.00 39.78 37.62 1qfu n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qfu n GLY 155 N 1.34 0.98 0.50 4.83 0.00 -0.51 -4.93 105.19 107.39 1qfu n GLY 155 Ca 0.19 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1qfu n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfu n THR 156 N -2.73 0.28 -1.68 2.61 -2.24 0.22 -4.99 114.28 105.75 1qfu n THR 156 Ca -0.08 -0.64 -0.44 0.00 -2.27 0.00 0.00 64.05 60.62 1qfu n THR 156 Cb 0.28 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1qfu n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qfu n TYR 157 N 0.59 2.53 -3.66 4.78 4.19 -0.62 -4.95 117.16 120.03 1qfu n TYR 157 Ca 0.08 -0.08 -0.37 0.00 3.31 0.00 0.00 57.90 60.84 1qfu n TYR 157 Cb 0.32 -2.70 -0.10 0.00 0.49 0.00 0.00 39.34 37.35 1qfu n TYR 157 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1qfu s ASP 158 N 2.72 6.06 0.22 2.98 -1.08 -1.26 -4.97 116.67 121.33 1qfu s ASP 158 Ca 0.83 0.08 0.11 0.00 -0.52 0.00 0.00 52.55 53.05 1qfu s ASP 158 Cb -0.54 -2.10 0.08 0.00 -1.46 0.00 0.00 42.92 38.90 1qfu s ASP 158 CO 0.40 0.04 1.44 1.12 0.52 0.00 0.00 175.17 178.69 1qfu h HIS 159 N 7.69 0.00 -0.78 -5.34 2.07 -1.93 -3.25 115.15 113.61 1qfu h HIS 159 Ca -0.37 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.12 1qfu h HIS 159 Cb 1.17 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.12 1qfu h HIS 159 CO 0.69 0.73 0.38 -0.44 -3.07 0.00 0.00 177.93 176.22 1qfu h ASP 160 N 0.00 1.02 0.00 3.10 3.32 -1.96 0.22 116.42 122.12 1qfu h ASP 160 Ca -0.01 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1qfu h ASP 160 Cb 1.44 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1qfu h ASP 160 CO 0.10 0.87 0.21 0.52 -1.72 0.00 0.00 179.24 179.21 1qfu n VAL 161 N -4.37 0.98 -0.92 -1.35 0.31 -1.22 -1.39 118.33 110.36 1qfu n VAL 161 Ca 0.07 0.64 0.00 0.00 -0.01 0.00 0.00 64.34 65.04 1qfu n VAL 161 Cb 0.14 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1qfu n VAL 161 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qfu n TYR 162 N -1.77 0.00 0.09 3.52 4.02 -0.78 -4.95 117.16 117.28 1qfu n TYR 162 Ca -0.01 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 1qfu n TYR 162 Cb 0.22 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.46 1qfu n TYR 162 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1qfu h ARG 163 N 0.00 -0.62 -0.95 -0.72 2.43 0.26 0.18 114.38 114.96 1qfu h ARG 163 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1qfu h ARG 163 Cb 0.66 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 1qfu h ARG 163 CO 0.00 -0.41 0.63 -0.44 -1.51 0.00 0.00 179.97 178.23 1qfu h ASP 164 N -0.65 1.07 -0.37 -3.80 5.19 -1.88 0.70 116.42 116.69 1qfu h ASP 164 Ca 0.03 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1qfu h ASP 164 Cb 0.69 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1qfu h ASP 164 CO -0.30 0.76 0.21 -0.08 -3.12 0.00 0.00 179.24 176.72 1qfu h GLU 165 N 1.26 0.51 0.82 3.56 4.81 -1.81 0.30 114.58 124.03 1qfu h GLU 165 Ca 0.36 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1qfu h GLU 165 Cb -0.10 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.18 1qfu h GLU 165 CO -0.09 0.40 -0.41 0.00 -0.73 0.00 0.00 179.01 178.17 1qfu h ALA 166 N 1.08 -1.29 -0.84 2.92 0.00 0.47 -2.37 119.26 119.22 1qfu h ALA 166 Ca 0.13 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 55.01 1qfu h ALA 166 Cb 0.03 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.15 1qfu h ALA 166 CO -0.02 -1.22 0.22 -0.07 0.00 0.00 0.00 179.25 178.16 1qfu h LEU 167 N -1.13 0.01 0.71 0.00 3.38 0.50 0.53 115.31 119.31 1qfu h LEU 167 Ca -0.11 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1qfu h LEU 167 Cb 0.87 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1qfu h LEU 167 CO 0.17 -0.11 -0.42 -1.13 0.09 0.00 0.00 178.44 177.04 1qfu h ASN 168 N 0.23 -1.05 -0.89 -0.43 -0.00 -0.71 -0.24 115.58 112.50 1qfu h ASN 168 Ca 0.51 0.05 0.10 0.00 -0.00 0.00 0.00 56.30 56.97 1qfu h ASN 168 Cb 0.98 0.30 -0.07 0.00 -0.00 0.00 0.00 38.32 39.53 1qfu h ASN 168 CO -0.61 -0.66 0.58 0.78 -0.00 0.00 0.00 177.43 177.52 1qfu h ASN 169 N -1.05 0.79 0.58 1.15 4.21 -0.87 -2.60 115.58 117.78 1qfu h ASN 169 Ca -0.10 0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.41 1qfu h ASN 169 Cb 0.84 -0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.91 1qfu h ASN 169 CO 0.11 0.45 -0.28 0.03 -1.29 0.00 0.00 177.43 176.45 1qfu h ARG 170 N 0.86 -0.76 -4.44 0.81 3.08 -0.62 -3.22 114.38 110.10 1qfu h ARG 170 Ca 0.42 0.05 -0.74 0.00 0.07 0.00 0.00 59.98 59.78 1qfu h ARG 170 Cb 0.45 0.17 -0.17 0.00 0.08 0.00 0.00 29.97 30.50 1qfu h ARG 170 CO -0.18 -0.46 1.55 1.19 -1.07 0.00 0.00 179.97 181.00 1qfu n PHE 171 N -5.38 4.44 -2.16 3.04 3.72 -0.13 -4.55 117.46 116.45 1qfu n PHE 171 Ca -0.12 -3.21 -0.16 0.00 -0.05 0.00 0.00 57.45 53.91 1qfu n PHE 171 Cb 0.34 -2.13 -0.02 0.00 -0.94 0.00 0.00 39.48 36.73 1qfu n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1qfu n GLN 172 N 5.22 -1.28 0.00 -1.08 6.02 -1.26 -4.84 117.38 120.16 1qfu n GLN 172 Ca 0.38 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 58.21 1qfu n GLN 172 Cb 0.41 -5.22 0.00 0.00 1.02 0.00 0.00 30.24 26.45 1qfu n GLN 172 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1qfu n ILE 173 N -3.74 0.00 0.00 5.09 5.41 -1.00 -5.04 119.36 120.08 1qfu n ILE 173 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1qfu n ILE 173 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 1qfu n ILE 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72