#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9g n GLY 2 N 0.00 -0.92 2.69 3.03 0.00 -1.26 -5.17 105.19 103.56 1m9g n GLY 2 Ca 0.00 0.88 -0.07 0.00 0.00 0.00 0.00 46.02 46.82 1m9g n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1m9g n GLU 3 N 0.00 0.78 -3.65 1.61 2.13 -1.26 -5.17 120.64 115.08 1m9g n GLU 3 Ca 0.00 -1.69 -0.22 0.00 0.66 0.00 0.00 57.16 55.92 1m9g n GLU 3 Cb 0.00 2.01 -0.01 0.00 0.27 0.00 0.00 31.44 33.71 1m9g n GLU 3 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1m9g s TRP 4 N -3.95 3.40 0.16 4.31 0.52 -1.26 -4.49 118.94 117.62 1m9g s TRP 4 Ca 0.13 0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.35 1m9g s TRP 4 Cb -0.03 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.46 1m9g s TRP 4 CO 0.10 0.22 -0.01 -1.21 0.02 0.00 0.00 176.95 176.07 1m9g s GLU 5 N -4.15 1.08 0.47 4.98 0.41 0.25 -4.98 118.70 116.76 1m9g s GLU 5 Ca 0.38 -1.51 -0.24 0.00 -0.41 0.00 0.00 54.97 53.20 1m9g s GLU 5 Cb -0.09 -0.29 -0.07 0.00 -1.78 0.00 0.00 34.13 31.90 1m9g s GLU 5 CO 0.32 -0.10 1.31 0.96 -0.49 0.00 0.00 175.26 177.26 1m9g s ILE 6 N -3.63 2.47 0.26 -1.63 -4.36 -1.26 -1.01 121.20 112.04 1m9g s ILE 6 Ca 0.22 0.39 -0.30 0.00 -0.26 0.00 0.00 60.65 60.70 1m9g s ILE 6 Cb 0.06 -3.21 -0.10 0.00 1.25 0.00 0.00 42.46 40.46 1m9g s ILE 6 CO 0.03 0.03 1.39 -0.51 0.24 0.00 0.00 174.94 176.11 1m9g s ILE 7 N -1.32 2.78 0.42 8.37 2.07 -1.25 -4.69 121.20 127.57 1m9g s ILE 7 Ca 0.63 0.68 -0.01 0.00 -1.41 0.00 0.00 60.65 60.54 1m9g s ILE 7 Cb -0.38 -3.43 -0.02 0.00 0.13 0.00 0.00 42.46 38.76 1m9g s ILE 7 CO 0.47 0.12 0.65 -0.62 -1.91 0.00 0.00 174.94 173.64 1m9g s ASP 8 N 0.19 6.13 0.57 4.50 -1.08 -1.26 -4.96 116.67 120.75 1m9g s ASP 8 Ca 0.57 0.52 -0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1m9g s ASP 8 Cb -0.40 -1.93 0.03 0.00 -1.46 0.00 0.00 42.92 39.16 1m9g s ASP 8 CO 0.44 -0.50 0.81 -0.63 0.52 0.00 0.00 175.17 175.81 1m9g s ILE 9 N -2.50 2.79 0.00 4.11 -1.09 -1.26 -2.25 121.20 120.99 1m9g s ILE 9 Ca 0.44 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1m9g s ILE 9 Cb -0.10 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1m9g s ILE 9 CO 0.39 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1m9g n GLY 10 N -2.42 3.00 2.43 6.18 0.00 -1.26 -4.08 105.19 109.04 1m9g n GLY 10 Ca 0.07 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1m9g n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1m9g n PRO 11 N 12.94 3.02 0.00 1.61 -0.04 -1.26 -2.37 135.00 148.90 1m9g n PRO 11 Ca 0.00 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1m9g n PRO 11 Cb 0.00 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1m9g n PRO 11 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1m9g n PHE 12 N 3.83 0.00 -0.06 0.54 -0.00 -1.26 -4.79 117.46 115.72 1m9g n PHE 12 Ca 0.64 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 58.00 1m9g n PHE 12 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.65 1m9g n PHE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1m9g h THR 13 N 0.00 1.00 -0.46 -2.13 1.03 -1.51 -0.06 112.91 110.78 1m9g h THR 13 Ca 0.00 -0.09 -0.09 0.00 -0.01 0.00 0.00 66.41 66.22 1m9g h THR 13 Cb 0.00 0.71 -0.02 0.00 -1.07 0.00 0.00 68.15 67.77 1m9g h THR 13 CO 0.00 0.05 -0.05 -0.61 -0.01 0.00 0.00 175.52 174.90 1m9g h GLN 14 N 0.27 0.85 0.15 0.00 4.15 -1.77 0.32 115.11 119.10 1m9g h GLN 14 Ca 0.10 -0.30 0.02 0.00 0.77 0.00 0.00 58.65 59.24 1m9g h GLN 14 Cb 0.02 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 1m9g h GLN 14 CO -0.06 0.93 -0.38 -0.97 -1.93 0.00 0.00 178.83 176.41 1m9g h ASN 15 N 0.70 -1.11 -0.70 -0.69 -0.73 -1.45 0.17 115.58 111.76 1m9g h ASN 15 Ca 0.12 0.12 -0.04 0.00 1.87 0.00 0.00 56.30 58.37 1m9g h ASN 15 Cb 0.58 0.41 -0.03 0.00 0.27 0.00 0.00 38.32 39.55 1m9g h ASN 15 CO 0.03 -0.47 0.28 -0.07 -0.37 0.00 0.00 177.43 176.83 1m9g h LEU 16 N -0.64 0.97 -0.25 0.34 3.38 -0.97 0.85 115.31 118.99 1m9g h LEU 16 Ca 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1m9g h LEU 16 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1m9g h LEU 16 CO -0.20 0.88 0.16 0.00 0.09 0.00 0.00 178.44 179.37 1m9g h ALA 17 N 1.13 0.32 0.10 1.53 0.00 -0.57 0.21 119.26 121.98 1m9g h ALA 17 Ca 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1m9g h ALA 17 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1m9g h ALA 17 CO -0.02 -0.18 -0.16 0.87 0.00 0.00 0.00 179.25 179.76 1m9g h LYS 18 N 0.32 -0.31 -0.71 0.00 1.79 -0.49 -2.30 116.57 114.87 1m9g h LYS 18 Ca 0.09 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.73 1m9g h LYS 18 Cb 0.00 0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 30.59 1m9g h LYS 18 CO -0.02 -0.20 -0.11 0.35 -1.08 0.00 0.00 179.45 178.39 1m9g h PHE 19 N -0.32 -0.25 -0.39 -1.35 3.04 -0.44 0.42 116.94 117.65 1m9g h PHE 19 Ca 0.02 0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.09 1m9g h PHE 19 Cb 0.33 0.22 -0.08 0.00 2.56 0.00 0.00 35.95 38.98 1m9g h PHE 19 CO -0.16 -0.27 -0.51 0.00 -2.02 0.00 0.00 178.31 175.35 1m9g h ALA 20 N 1.69 -0.65 0.07 2.41 0.00 -0.04 0.22 119.26 122.96 1m9g h ALA 20 Ca 0.36 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1m9g h ALA 20 Cb 0.57 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1m9g h ALA 20 CO -0.69 -0.98 -0.04 0.28 0.00 0.00 0.00 179.25 177.82 1m9g h VAL 21 N -0.38 0.05 0.09 0.00 2.07 -0.85 -2.80 116.25 114.42 1m9g h VAL 21 Ca 0.10 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1m9g h VAL 21 Cb 0.60 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1m9g h VAL 21 CO -0.58 0.01 -0.44 -0.78 0.02 0.00 0.00 177.57 175.80 1m9g h ASP 22 N -1.03 -1.34 0.03 0.57 3.58 -0.28 0.15 116.42 118.10 1m9g h ASP 22 Ca -0.01 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1m9g h ASP 22 Cb 0.10 0.49 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1m9g h ASP 22 CO 0.02 -0.46 -0.01 -0.08 -2.88 0.00 0.00 179.24 175.82 1m9g h GLU 23 N -0.62 -0.03 -0.87 0.28 4.22 -0.67 0.20 114.58 117.09 1m9g h GLU 23 Ca -0.00 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.54 1m9g h GLU 23 Cb 0.63 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 1m9g h GLU 23 CO -0.25 0.05 0.51 1.49 -2.18 0.00 0.00 179.01 178.63 1m9g h GLU 24 N -0.11 0.82 0.26 1.92 4.57 -1.39 0.48 114.58 121.12 1m9g h GLU 24 Ca -0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1m9g h GLU 24 Cb 0.10 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1m9g h GLU 24 CO 0.01 0.54 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.34 1m9g h ASN 25 N 0.84 -0.29 -0.14 1.04 2.35 -0.55 0.29 115.58 119.13 1m9g h ASN 25 Ca 0.42 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 56.11 1m9g h ASN 25 Cb 0.38 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 1m9g h ASN 25 CO -0.25 -0.08 -0.09 0.50 -1.65 0.00 0.00 177.43 175.85 1m9g h LYS 26 N -0.50 -0.09 -0.07 0.81 3.11 0.46 -2.33 116.57 117.96 1m9g h LYS 26 Ca -0.04 0.01 -0.22 0.00 -2.81 0.00 0.00 60.65 57.59 1m9g h LYS 26 Cb 0.37 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.64 1m9g h LYS 26 CO 0.06 -0.06 -0.83 0.82 -2.81 0.00 0.00 179.45 176.62 1m9g h ILE 27 N -0.10 1.30 -3.78 2.00 1.08 -1.04 -3.48 117.51 113.49 1m9g h ILE 27 Ca 0.08 -2.08 -0.25 0.00 -0.39 0.00 0.00 64.86 62.23 1m9g h ILE 27 Cb 0.22 2.24 0.08 0.00 -3.07 0.00 0.00 36.82 36.29 1m9g h ILE 27 CO -0.20 0.64 -0.41 0.61 -0.69 0.00 0.00 178.15 178.10 1m9g n GLY 28 N 0.90 0.01 0.08 5.37 0.00 0.10 -4.96 105.19 106.70 1m9g n GLY 28 Ca -0.09 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1m9g n GLY 28 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1m9g h GLN 29 N -1.51 -0.06 0.00 1.61 5.75 -1.89 -3.43 115.11 115.58 1m9g h GLN 29 Ca -0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1m9g h GLN 29 Cb 1.23 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1m9g h GLN 29 CO 0.35 0.57 0.00 0.98 -2.65 0.00 0.00 178.83 178.07 1m9g n TYR 30 N -4.76 0.00 0.00 3.99 9.36 -1.26 -5.14 117.16 119.34 1m9g n TYR 30 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1m9g n TYR 30 Cb 0.32 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.03 1m9g n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1m9g n GLY 31 N 2.14 2.62 3.76 2.98 0.00 -1.26 -5.11 105.19 110.32 1m9g n GLY 31 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1m9g n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1m9g s ARG 32 N -3.03 2.44 0.00 1.61 3.00 -1.26 -5.06 118.95 116.66 1m9g s ARG 32 Ca 0.00 1.32 0.00 0.00 -1.00 0.00 0.00 55.73 56.05 1m9g s ARG 32 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 34.95 33.04 1m9g s ARG 32 CO 0.00 -1.52 0.00 1.28 0.00 0.00 0.00 175.30 175.06 1m9g n LEU 33 N -3.00 0.00 -4.91 -0.88 7.99 -1.26 -5.04 117.00 109.90 1m9g n LEU 33 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.81 1m9g n LEU 33 Cb 0.52 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.94 1m9g n LEU 33 CO 0.50 -0.20 0.79 -0.89 -1.51 0.00 0.00 177.39 176.08 1m9g s THR 34 N -0.09 2.02 -1.02 -5.08 2.01 -1.26 -4.90 115.64 107.32 1m9g s THR 34 Ca 0.00 -0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.71 1m9g s THR 34 Cb 0.00 -3.00 -0.20 0.00 0.01 0.00 0.00 72.50 69.31 1m9g s THR 34 CO 0.00 0.00 2.01 0.33 -0.69 0.00 0.00 174.62 176.27 1m9g n PHE 35 N -3.37 1.42 0.00 4.92 7.35 -1.26 -4.79 117.46 121.73 1m9g n PHE 35 Ca 0.10 -0.65 0.00 0.00 -0.76 0.00 0.00 57.45 56.13 1m9g n PHE 35 Cb 0.61 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 38.01 1m9g n PHE 35 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1m9g n ASN 36 N 16.93 0.00 -0.93 -2.13 6.94 -1.26 -5.14 115.26 129.67 1m9g n ASN 36 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 1m9g n ASN 36 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1m9g n ASN 36 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1m9g n LYS 37 N 0.00 0.00 -4.16 -3.83 2.85 -1.20 -5.07 118.16 106.74 1m9g n LYS 37 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1m9g n LYS 37 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 1m9g n LYS 37 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1m9g s VAL 38 N -2.13 0.95 0.05 0.58 0.11 -1.26 -0.66 120.40 118.05 1m9g s VAL 38 Ca 0.00 -1.49 -0.34 0.00 -2.93 0.00 0.00 61.98 57.22 1m9g s VAL 38 Cb 0.00 -1.20 -0.19 0.00 -1.53 0.00 0.00 36.38 33.46 1m9g s VAL 38 CO 0.00 -0.44 1.51 0.16 -3.33 0.00 0.00 175.10 173.00 1m9g h ILE 39 N 3.87 0.00 -3.94 7.04 -0.00 -1.86 -3.45 117.51 119.17 1m9g h ILE 39 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.48 1m9g h ILE 39 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 38.01 1m9g h ILE 39 CO 0.48 0.00 -1.00 0.54 -0.00 0.00 0.00 178.15 178.17 1m9g n ARG 40 N -5.32 -4.55 -1.04 0.16 1.74 -1.26 -5.06 116.66 101.33 1m9g n ARG 40 Ca -0.15 3.47 -0.28 0.00 -0.77 0.00 0.00 57.85 60.12 1m9g n ARG 40 Cb 0.49 -4.16 0.23 0.00 -1.02 0.00 0.00 32.46 28.00 1m9g n ARG 40 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1m9g n PRO 41 N -1.96 -2.87 -2.13 5.56 -0.04 -1.26 -5.18 135.00 127.11 1m9g n PRO 41 Ca 0.00 -1.66 -0.01 0.00 -0.04 0.00 0.00 63.50 61.79 1m9g n PRO 41 Cb 0.31 -1.51 -0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1m9g n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m9g s MET 43 N -2.08 1.01 0.16 0.00 1.75 -0.68 -3.85 119.30 115.60 1m9g s MET 43 Ca 0.02 -0.33 -0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1m9g s MET 43 Cb 0.00 0.46 -0.04 0.00 2.84 0.00 0.00 34.83 38.08 1m9g s MET 43 CO 0.01 -0.36 0.06 -1.59 -0.65 0.00 0.00 175.02 172.49 1m9g s LYS 44 N -2.64 1.03 0.17 4.11 -2.85 -0.18 -0.34 119.74 119.04 1m9g s LYS 44 Ca -0.04 -1.51 -0.24 0.00 -1.00 0.00 0.00 55.97 53.18 1m9g s LYS 44 Cb -0.00 0.15 0.06 0.00 -2.06 0.00 0.00 37.83 35.97 1m9g s LYS 44 CO -0.03 -0.27 0.95 -1.59 0.10 0.00 0.00 175.35 174.50 1m9g s LYS 45 N -4.05 1.29 -0.28 1.78 -2.85 0.03 -0.58 119.74 115.08 1m9g s LYS 45 Ca 0.28 -0.73 -0.18 0.00 -1.00 0.00 0.00 55.97 54.34 1m9g s LYS 45 Cb 0.07 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1m9g s LYS 45 CO 0.05 -0.59 0.53 -0.08 0.10 0.00 0.00 175.35 175.35 1m9g s THR 46 N -3.19 5.05 0.21 3.79 -1.32 -1.26 -0.08 115.64 118.83 1m9g s THR 46 Ca 0.13 0.81 -0.29 0.00 -1.21 0.00 0.00 61.69 61.14 1m9g s THR 46 Cb -0.02 -3.86 -0.08 0.00 -1.51 0.00 0.00 72.50 67.02 1m9g s THR 46 CO 0.03 0.02 0.90 -0.51 -2.21 0.00 0.00 174.62 172.85 1m9g s ILE 47 N 2.36 4.20 0.51 5.08 2.07 -0.87 -4.95 121.20 129.60 1m9g s ILE 47 Ca 0.21 1.98 -0.03 0.00 -1.41 0.00 0.00 60.65 61.41 1m9g s ILE 47 Cb -0.16 -4.28 -0.00 0.00 0.13 0.00 0.00 42.46 38.16 1m9g s ILE 47 CO 0.10 0.49 0.77 -0.31 -1.91 0.00 0.00 174.94 174.08 1m9g s TYR 48 N -1.05 3.27 -1.04 3.50 2.02 -1.26 -3.77 117.35 119.02 1m9g s TYR 48 Ca 0.40 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.56 1m9g s TYR 48 Cb -0.25 -2.47 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 1m9g s TYR 48 CO 0.30 -0.53 0.29 -0.85 -1.57 0.00 0.00 175.55 173.20 1m9g n GLU 49 N -2.29 0.56 -1.16 -0.62 0.00 -1.26 -4.44 120.64 111.43 1m9g n GLU 49 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 57.00 1m9g n GLU 49 Cb 0.57 -1.27 -0.06 0.00 0.00 0.00 0.00 31.44 30.68 1m9g n GLU 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1m9g n ASN 50 N 0.19 6.08 -2.69 -1.84 3.02 -1.26 -3.69 115.26 115.06 1m9g n ASN 50 Ca 0.00 -2.93 -0.05 0.00 -0.03 0.00 0.00 54.58 51.57 1m9g n ASN 50 Cb 0.13 -1.23 0.09 0.00 -0.61 0.00 0.00 39.78 38.17 1m9g n ASN 50 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1m9g n GLU 51 N 1.21 0.52 -3.67 3.52 2.13 -1.26 -5.03 120.64 118.05 1m9g n GLU 51 Ca 0.39 -1.19 -0.23 0.00 0.66 0.00 0.00 57.16 56.79 1m9g n GLU 51 Cb 0.64 -0.42 0.03 0.00 0.27 0.00 0.00 31.44 31.96 1m9g n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1m9g n GLY 52 N 0.27 -0.48 3.15 8.31 0.00 -1.24 -5.00 105.19 110.19 1m9g n GLY 52 Ca -0.04 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1m9g n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m9g s PHE 53 N -3.63 0.81 0.86 1.61 0.08 -1.25 -5.16 117.98 111.29 1m9g s PHE 53 Ca 0.12 -1.11 -0.11 0.00 0.12 0.00 0.00 56.93 55.96 1m9g s PHE 53 Cb -0.03 -0.49 0.11 0.00 -0.57 0.00 0.00 43.02 42.04 1m9g s PHE 53 CO 0.82 -0.38 1.11 0.50 -0.10 0.00 0.00 175.22 177.17 1m9g s ARG 54 N -3.96 1.51 -0.31 0.44 3.52 -1.26 -4.81 118.95 114.08 1m9g s ARG 54 Ca 0.17 1.21 -0.42 0.00 -0.13 0.00 0.00 55.73 56.56 1m9g s ARG 54 Cb 0.07 -1.81 -0.17 0.00 -1.56 0.00 0.00 34.95 31.48 1m9g s ARG 54 CO -0.03 -2.18 1.67 -0.85 -0.81 0.00 0.00 175.30 173.10 1m9g n GLU 55 N -3.89 0.83 -2.68 5.12 0.28 -1.26 -4.05 120.64 114.98 1m9g n GLU 55 Ca 0.09 0.31 -0.05 0.00 -0.16 0.00 0.00 57.16 57.35 1m9g n GLU 55 Cb 0.53 -1.94 -0.04 0.00 1.43 0.00 0.00 31.44 31.42 1m9g n GLU 55 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1m9g n ILE 56 N 4.27-11.05 -0.00 3.84 -0.00 -1.26 -4.96 119.36 110.20 1m9g n ILE 56 Ca 0.27 2.35 -0.17 0.00 -0.00 0.00 0.00 62.75 65.20 1m9g n ILE 56 Cb 0.08 -5.92 -0.10 0.00 -0.00 0.00 0.00 39.64 33.70 1m9g n ILE 56 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1m9g h LYS 57 N 4.28 0.50 0.00 0.38 1.63 -1.70 -3.43 116.57 118.22 1m9g h LYS 57 Ca -0.48 -0.49 0.00 0.00 -0.85 0.00 0.00 60.65 58.83 1m9g h LYS 57 Cb 1.09 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1m9g h LYS 57 CO 0.01 1.13 0.00 0.41 -3.45 0.00 0.00 179.45 177.55 1m9g n GLY 58 N 0.96 0.25 3.86 5.01 0.00 -1.25 -1.02 105.19 113.00 1m9g n GLY 58 Ca -0.10 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1m9g n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m9g s TYR 59 N -3.77 3.55 -0.00 1.61 2.02 -1.24 -2.04 117.35 117.48 1m9g s TYR 59 Ca 0.00 1.34 0.01 0.00 -0.37 0.00 0.00 57.07 58.05 1m9g s TYR 59 Cb 0.00 -2.72 -0.00 0.00 -0.40 0.00 0.00 41.96 38.83 1m9g s TYR 59 CO 0.00 -0.53 -0.04 -1.21 -1.57 0.00 0.00 175.55 172.20 1m9g s GLU 60 N -4.68 0.34 -0.21 -0.62 2.02 0.88 -0.14 118.70 116.29 1m9g s GLU 60 Ca 0.56 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.39 1m9g s GLU 60 Cb -0.11 -0.32 0.04 0.00 0.10 0.00 0.00 34.13 33.85 1m9g s GLU 60 CO 0.44 0.09 -0.14 0.71 0.02 0.00 0.00 175.26 176.38 1m9g s TYR 61 N -0.15 2.78 -0.35 1.61 2.02 0.16 -0.79 117.35 122.63 1m9g s TYR 61 Ca 0.01 -1.82 -0.13 0.00 -0.37 0.00 0.00 57.07 54.76 1m9g s TYR 61 Cb -0.02 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1m9g s TYR 61 CO -0.00 -0.80 0.25 -1.14 -1.57 0.00 0.00 175.55 172.28 1m9g s GLN 62 N 1.28 3.41 -0.06 -0.62 0.74 0.53 -0.99 119.66 123.95 1m9g s GLN 62 Ca -0.01 -0.70 0.02 0.00 0.05 0.00 0.00 55.36 54.71 1m9g s GLN 62 Cb -0.16 -3.82 0.02 0.00 1.10 0.00 0.00 33.01 30.14 1m9g s GLN 62 CO -0.09 -0.49 -0.09 -0.48 -0.55 0.00 0.00 175.29 173.59 1m9g s LEU 63 N 1.71 1.52 -0.90 3.68 0.05 0.36 -1.69 118.68 123.41 1m9g s LEU 63 Ca 0.06 -0.23 -0.15 0.00 0.05 0.00 0.00 54.13 53.85 1m9g s LEU 63 Cb -0.18 -0.68 0.19 0.00 -2.05 0.00 0.00 46.19 43.48 1m9g s LEU 63 CO 0.10 -0.00 0.96 -0.31 -0.55 0.00 0.00 176.35 176.55 1m9g s TYR 64 N 0.77 3.54 0.12 3.48 2.02 -1.26 -0.77 117.35 125.25 1m9g s TYR 64 Ca -0.13 -1.82 -0.25 0.00 -0.37 0.00 0.00 57.07 54.50 1m9g s TYR 64 Cb -0.15 -4.02 -0.07 0.00 -0.40 0.00 0.00 41.96 37.32 1m9g s TYR 64 CO 0.02 -1.20 0.78 0.54 -1.57 0.00 0.00 175.55 174.13 1m9g s VAL 65 N 1.09 4.49 -0.13 0.71 0.11 -1.00 -2.60 120.40 123.08 1m9g s VAL 65 Ca 0.26 1.70 -0.23 0.00 -2.93 0.00 0.00 61.98 60.77 1m9g s VAL 65 Cb -0.08 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 1m9g s VAL 65 CO -0.09 0.46 0.71 -0.31 -3.33 0.00 0.00 175.10 172.54 1m9g s TYR 66 N -0.73 3.49 -0.13 1.54 2.02 0.17 -1.26 117.35 122.44 1m9g s TYR 66 Ca 0.37 1.16 -0.18 0.00 -0.37 0.00 0.00 57.07 58.05 1m9g s TYR 66 Cb -0.22 -2.85 0.04 0.00 -0.40 0.00 0.00 41.96 38.53 1m9g s TYR 66 CO 0.25 -0.05 0.46 0.00 -1.57 0.00 0.00 175.55 174.64 1m9g s ALA 67 N 1.40 -1.16 -1.39 3.71 0.00 0.09 -3.27 121.76 121.14 1m9g s ALA 67 Ca 0.35 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1m9g s ALA 67 Cb -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1m9g s ALA 67 CO 0.15 -0.25 0.00 0.45 0.00 0.00 0.00 175.76 176.11 1m9g n SER 68 N 2.29 -4.05 -2.82 0.00 2.88 -1.26 -0.35 113.62 110.30 1m9g n SER 68 Ca -0.16 0.26 -0.19 0.00 -1.33 0.00 0.00 58.87 57.45 1m9g n SER 68 Cb 0.57 -3.58 0.00 0.00 -0.75 0.00 0.00 64.21 60.45 1m9g n SER 68 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1m9g n ASP 69 N -1.18 -4.77 -4.50 -3.46 2.03 -1.26 -5.01 116.55 98.39 1m9g n ASP 69 Ca -0.16 -0.11 -0.24 0.00 0.52 0.00 0.00 54.79 54.80 1m9g n ASP 69 Cb 0.54 -3.95 -0.11 0.00 -0.72 0.00 0.00 41.12 36.89 1m9g n ASP 69 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1m9g s LYS 70 N -5.46 1.72 -0.06 -0.67 3.01 0.52 -4.92 119.74 113.88 1m9g s LYS 70 Ca 0.18 -1.90 -0.19 0.00 -1.01 0.00 0.00 55.97 53.06 1m9g s LYS 70 Cb -0.09 -1.42 -0.05 0.00 -1.01 0.00 0.00 37.83 35.27 1m9g s LYS 70 CO 0.22 0.05 0.51 -0.51 0.51 0.00 0.00 175.35 176.13 1m9g s LEU 71 N -3.55 4.36 -0.20 3.17 1.43 -0.95 -0.73 118.68 122.20 1m9g s LEU 71 Ca 0.32 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1m9g s LEU 71 Cb 0.04 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.53 1m9g s LEU 71 CO 0.15 0.09 -0.16 -0.36 0.23 0.00 0.00 176.35 176.29 1m9g s PHE 72 N 0.08 2.91 -0.59 0.29 0.08 -0.39 -0.43 117.98 119.92 1m9g s PHE 72 Ca 0.28 -1.74 -0.28 0.00 0.12 0.00 0.00 56.93 55.30 1m9g s PHE 72 Cb -0.16 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1m9g s PHE 72 CO 0.13 -0.81 1.42 0.50 -0.10 0.00 0.00 175.22 176.37 1m9g s ARG 73 N 1.26 3.24 -0.26 0.44 3.52 0.05 -2.36 118.95 124.84 1m9g s ARG 73 Ca 0.02 0.36 -0.09 0.00 -0.13 0.00 0.00 55.73 55.89 1m9g s ARG 73 Cb -0.15 -4.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 1m9g s ARG 73 CO -0.10 -2.02 0.13 0.00 -0.81 0.00 0.00 175.30 172.50 1m9g s ALA 74 N 6.22 3.38 -0.28 6.12 0.00 0.05 -0.40 121.76 136.85 1m9g s ALA 74 Ca 0.51 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1m9g s ALA 74 Cb -0.10 -2.27 0.06 0.00 0.00 0.00 0.00 23.12 20.80 1m9g s ALA 74 CO 0.23 -0.46 -0.06 -0.51 0.00 0.00 0.00 175.76 174.97 1m9g s ASP 75 N 1.57 4.64 0.27 0.00 1.01 -1.23 -0.48 116.67 122.45 1m9g s ASP 75 Ca 0.07 -1.42 -0.16 0.00 0.71 0.00 0.00 52.55 51.75 1m9g s ASP 75 Cb -0.15 -1.62 -0.08 0.00 1.01 0.00 0.00 42.92 42.08 1m9g s ASP 75 CO 0.07 -0.23 0.70 -0.63 0.21 0.00 0.00 175.17 175.29 1m9g s ILE 76 N 1.14 4.69 0.07 0.77 1.09 -0.16 -2.42 121.20 126.38 1m9g s ILE 76 Ca -0.06 0.98 0.09 0.00 -1.10 0.00 0.00 60.65 60.57 1m9g s ILE 76 Cb -0.20 -3.69 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 1m9g s ILE 76 CO -0.04 -0.03 -0.25 -0.55 -0.10 0.00 0.00 174.94 173.97 1m9g s SER 77 N -2.07 3.31 0.29 3.58 0.15 -1.15 -0.66 113.70 117.15 1m9g s SER 77 Ca 0.49 -0.61 0.09 0.00 0.70 0.00 0.00 55.95 56.61 1m9g s SER 77 Cb -0.12 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 1m9g s SER 77 CO 0.19 0.23 0.07 -1.61 1.20 0.00 0.00 173.24 173.32 1m9g s GLU 78 N -1.53 2.39 -0.43 5.44 2.02 0.80 -0.52 118.70 126.86 1m9g s GLU 78 Ca 0.13 -1.43 -0.26 0.00 0.02 0.00 0.00 54.97 53.43 1m9g s GLU 78 Cb -0.10 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 31.95 1m9g s GLU 78 CO 0.04 0.28 0.97 0.34 0.02 0.00 0.00 175.26 176.90 1m9g s ASP 79 N -3.75 6.59 0.26 -0.19 -1.08 -1.23 -3.65 116.67 113.62 1m9g s ASP 79 Ca 0.34 0.34 0.12 0.00 -0.52 0.00 0.00 52.55 52.83 1m9g s ASP 79 Cb -0.05 -2.48 0.90 0.00 -1.46 0.00 0.00 42.92 39.84 1m9g s ASP 79 CO 0.21 -1.03 1.17 0.00 0.52 0.00 0.00 175.17 176.04 1m9g n TYR 80 N 7.17 0.78 -0.35 -5.34 9.36 -0.19 -1.28 117.16 127.31 1m9g n TYR 80 Ca 0.08 0.88 0.33 0.00 3.32 0.00 0.00 57.90 62.50 1m9g n TYR 80 Cb 0.48 -1.25 0.68 0.00 -0.63 0.00 0.00 39.34 38.63 1m9g n TYR 80 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1m9g h LYS 81 N 0.00 0.11 0.00 2.98 1.63 -1.91 -3.43 116.57 115.95 1m9g h LYS 81 Ca 0.59 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1m9g h LYS 81 Cb 1.50 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1m9g h LYS 81 CO -0.60 0.07 0.00 2.41 -3.45 0.00 0.00 179.45 177.88 1m9g n THR 82 N -4.33 0.00 0.00 1.00 -1.04 -0.41 -5.07 114.28 104.43 1m9g n THR 82 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1m9g n THR 82 Cb 1.19 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.70 1m9g n THR 82 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1m9g n ARG 83 N -0.32 0.00 -0.53 -2.82 1.85 -1.04 -4.93 116.66 108.88 1m9g n ARG 83 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 1m9g n ARG 83 Cb 0.00 0.00 0.28 0.00 -1.05 0.00 0.00 32.46 31.69 1m9g n ARG 83 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1m9g s GLY 84 N 0.00 1.44 -0.25 2.89 0.00 -1.25 -4.78 107.32 105.38 1m9g s GLY 84 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 1m9g s GLY 84 CO 0.00 0.07 0.32 -1.60 0.00 0.00 0.00 173.10 171.89 1m9g s ARG 85 N -5.25 0.31 -0.16 2.90 3.52 -1.26 -3.54 118.95 115.46 1m9g s ARG 85 Ca 0.70 0.18 -0.08 0.00 -0.13 0.00 0.00 55.73 56.40 1m9g s ARG 85 Cb -0.10 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.54 1m9g s ARG 85 CO 0.57 -0.82 0.10 0.15 -0.81 0.00 0.00 175.30 174.49 1m9g s LYS 86 N 2.43 3.79 -0.77 5.12 -0.14 0.32 -5.01 119.74 125.49 1m9g s LYS 86 Ca 0.10 -0.25 -0.26 0.00 -1.36 0.00 0.00 55.97 54.20 1m9g s LYS 86 Cb -0.15 -3.23 -0.00 0.00 -1.68 0.00 0.00 37.83 32.77 1m9g s LYS 86 CO -0.22 0.47 1.67 -1.17 -0.76 0.00 0.00 175.35 175.33 1m9g s LEU 87 N -0.17 3.26 0.00 3.17 0.20 -1.26 -2.95 118.68 120.93 1m9g s LEU 87 Ca 0.09 -0.34 0.09 0.00 0.69 0.00 0.00 54.13 54.66 1m9g s LEU 87 Cb -0.12 -2.55 0.26 0.00 -0.43 0.00 0.00 46.19 43.35 1m9g s LEU 87 CO 0.01 -2.19 1.20 0.18 -0.29 0.00 0.00 176.35 175.26 1m9g n LEU 88 N 11.55 2.76 -4.61 -0.68 7.99 -1.20 -5.03 117.00 127.78 1m9g n LEU 88 Ca 0.22 -1.95 -0.29 0.00 -0.01 0.00 0.00 56.01 53.98 1m9g n LEU 88 Cb 0.50 -0.19 0.20 0.00 -0.11 0.00 0.00 43.42 43.82 1m9g n LEU 88 CO 0.68 0.68 0.60 0.00 -1.51 0.00 0.00 177.39 177.84 1m9g s ARG 89 N -0.99 -0.00 -0.98 3.23 1.70 -1.01 -3.48 118.95 117.41 1m9g s ARG 89 Ca 0.20 0.71 -0.05 0.00 -0.47 0.00 0.00 55.73 56.12 1m9g s ARG 89 Cb 0.10 -1.67 -0.06 0.00 -0.57 0.00 0.00 34.95 32.76 1m9g s ARG 89 CO 0.14 -3.07 0.85 1.19 -1.08 0.00 0.00 175.30 173.33 1m9g n PHE 90 N -4.44 -2.24 -3.75 5.89 3.72 -1.24 -4.80 117.46 110.60 1m9g n PHE 90 Ca 0.05 0.80 -0.22 0.00 -0.05 0.00 0.00 57.45 58.03 1m9g n PHE 90 Cb 0.56 -4.10 -0.04 0.00 -0.94 0.00 0.00 39.48 34.95 1m9g n PHE 90 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1m9g s ASN 91 N -3.47 4.93 0.00 4.37 2.47 0.47 -4.91 114.94 118.80 1m9g s ASN 91 Ca 0.37 -0.78 0.00 0.00 0.42 0.00 0.00 52.86 52.87 1m9g s ASN 91 Cb -0.05 -0.62 0.00 0.00 -1.45 0.00 0.00 41.25 39.13 1m9g s ASN 91 CO 0.68 -0.56 0.00 0.61 -3.72 0.00 0.00 177.10 174.11 1m9g n GLY 92 N -1.43 0.98 3.66 1.21 0.00 -1.26 -0.77 105.19 107.58 1m9g n GLY 92 Ca 0.01 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1m9g n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1m9g s PRO 93 N 0.00 0.17 -0.11 1.61 0.04 -1.26 -5.08 135.00 130.37 1m9g s PRO 93 Ca 0.00 0.48 0.02 0.00 0.04 0.00 0.00 61.00 61.54 1m9g s PRO 93 Cb 0.00 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1m9g s PRO 93 CO 0.00 -2.90 -0.19 0.08 0.04 0.00 0.00 177.00 174.03 1m9g s VAL 94 N -2.94 2.55 0.75 -0.36 1.01 0.42 -4.98 120.40 116.86 1m9g s VAL 94 Ca 0.66 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1m9g s VAL 94 Cb -0.19 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1m9g s VAL 94 CO 0.58 0.55 1.10 -2.16 0.00 0.00 0.00 175.10 175.17 1m9g s PRO 95 N 0.24 2.32 0.65 2.72 0.04 -1.26 -2.24 135.00 137.47 1m9g s PRO 95 Ca -0.12 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.02 1m9g s PRO 95 Cb -0.16 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1m9g s PRO 95 CO 0.07 -1.61 1.19 -1.25 0.04 0.00 0.00 177.00 175.44 1m9g s PRO 96 N -4.62 2.69 0.00 0.56 0.04 -1.26 -4.70 135.00 127.71 1m9g s PRO 96 Ca 0.64 1.72 0.12 0.00 0.04 0.00 0.00 61.00 63.52 1m9g s PRO 96 Cb -0.19 -1.91 0.73 0.00 0.04 0.00 0.00 34.50 33.18 1m9g s PRO 96 CO 0.52 -1.40 1.17 -0.35 0.04 0.00 0.00 177.00 176.97