#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 1.24 5.24 -5.12 0.00 -1.26 -5.03 105.19 100.26 1m9g n GLY 2 Ca 0.00 -1.09 0.06 0.00 0.00 0.00 0.00 46.02 44.99 1m9g n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m9g n GLU 3 N -0.82 -0.91 -4.18 1.61 1.02 -1.26 -4.78 120.64 111.32 1m9g n GLU 3 Ca 0.00 0.60 -0.28 0.00 -0.02 0.00 0.00 57.16 57.46 1m9g n GLU 3 Cb 0.00 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 1m9g n GLU 3 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1m9g s TRP 4 N -0.70 2.88 0.22 -0.32 0.52 -1.26 -4.01 118.94 116.28 1m9g s TRP 4 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.05 1m9g s TRP 4 Cb 0.00 -1.44 -0.05 0.00 -1.15 0.00 0.00 33.47 30.83 1m9g s TRP 4 CO 0.00 0.49 0.01 -1.21 0.02 0.00 0.00 176.95 176.26 1m9g s GLU 5 N -2.63 1.30 0.54 4.98 8.01 0.26 -4.97 118.70 126.19 1m9g s GLU 5 Ca 0.26 -1.66 -0.15 0.00 0.01 0.00 0.00 54.97 53.43 1m9g s GLU 5 Cb -0.10 -0.52 -0.07 0.00 -4.31 0.00 0.00 34.13 29.12 1m9g s GLU 5 CO 0.18 -0.12 1.00 0.96 0.01 0.00 0.00 175.26 177.29 1m9g s ILE 6 N -3.49 4.52 -0.30 -1.63 -5.25 -1.26 -0.85 121.20 112.94 1m9g s ILE 6 Ca 0.28 1.13 -0.01 0.00 -0.99 0.00 0.00 60.65 61.06 1m9g s ILE 6 Cb 0.06 -3.73 0.10 0.00 2.95 0.00 0.00 42.46 41.84 1m9g s ILE 6 CO 0.08 -0.77 0.10 -0.51 -1.79 0.00 0.00 174.94 172.05 1m9g s ILE 7 N -2.73 0.70 -0.34 8.37 2.07 -1.24 -4.77 121.20 123.26 1m9g s ILE 7 Ca 0.58 -1.23 0.14 0.00 -1.41 0.00 0.00 60.65 58.74 1m9g s ILE 7 Cb -0.10 -1.51 0.42 0.00 0.13 0.00 0.00 42.46 41.40 1m9g s ILE 7 CO 0.36 -0.64 1.41 0.47 -1.91 0.00 0.00 174.94 174.63 1m9g n ASP 8 N 4.93 -0.98 -4.10 4.50 8.00 -1.26 -3.69 116.55 123.95 1m9g n ASP 8 Ca -0.03 -2.28 -0.08 0.00 0.71 0.00 0.00 54.79 53.11 1m9g n ASP 8 Cb 0.42 0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 41.95 1m9g n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1m9g s ILE 9 N -0.60 0.35 0.00 0.53 -1.09 -1.26 -4.93 121.20 114.21 1m9g s ILE 9 Ca 0.16 -1.71 0.00 0.00 -2.23 0.00 0.00 60.65 56.87 1m9g s ILE 9 Cb 0.42 -1.38 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 1m9g s ILE 9 CO -0.10 -0.88 0.35 0.61 -1.23 0.00 0.00 174.94 173.69 1m9g n GLY 10 N 0.30 -2.68 2.21 6.18 0.00 -1.26 0.33 105.19 110.27 1m9g n GLY 10 Ca -0.15 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.58 1.40 0.00 1.61 -0.04 -1.26 -0.84 135.00 135.28 1m9g n PRO 11 Ca 0.00 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1m9g n PRO 11 Cb 0.00 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.81 0.00 -0.04 0.54 -0.00 -1.08 -4.82 117.46 114.88 1m9g n PHE 12 Ca 0.30 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.62 1m9g n PHE 12 Cb 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.95 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 1.34 -0.44 -2.13 1.03 -0.26 -1.37 112.91 111.08 1m9g h THR 13 Ca 0.00 -1.19 -0.06 0.00 -0.01 0.00 0.00 66.41 65.15 1m9g h THR 13 Cb 0.00 1.90 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 1m9g h THR 13 CO 0.00 0.34 0.04 1.56 -0.01 0.00 0.00 175.52 177.45 1m9g h GLN 14 N -0.15 0.76 -0.03 0.00 7.50 -0.95 0.18 115.11 122.42 1m9g h GLN 14 Ca 0.02 -0.22 0.03 0.00 0.50 0.00 0.00 58.65 58.98 1m9g h GLN 14 Cb 0.57 -0.08 -0.06 0.00 0.05 0.00 0.00 27.48 27.97 1m9g h GLN 14 CO 0.02 0.80 -0.44 -0.97 -1.50 0.00 0.00 178.83 176.74 1m9g h ASN 15 N 0.61 -1.35 -0.52 1.46 -0.73 -0.97 0.18 115.58 114.27 1m9g h ASN 15 Ca 0.13 0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.45 1m9g h ASN 15 Cb 0.43 0.53 -0.02 0.00 0.27 0.00 0.00 38.32 39.53 1m9g h ASN 15 CO 0.01 -0.46 0.28 -0.07 -0.37 0.00 0.00 177.43 176.82 1m9g h LEU 16 N -0.57 0.65 -0.52 0.34 3.38 -1.13 0.73 115.31 118.20 1m9g h LEU 16 Ca 0.05 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1m9g h LEU 16 Cb 0.66 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1m9g h LEU 16 CO -0.34 0.56 0.27 0.00 0.09 0.00 0.00 178.44 179.01 1m9g h ALA 17 N 1.12 0.66 0.60 1.53 0.00 -0.23 0.12 119.26 123.06 1m9g h ALA 17 Ca 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1m9g h ALA 17 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1m9g h ALA 17 CO -0.03 -0.07 -0.43 0.87 0.00 0.00 0.00 179.25 179.59 1m9g h LYS 18 N 0.52 -0.96 -0.89 0.00 1.79 -0.36 -2.98 116.57 113.70 1m9g h LYS 18 Ca 0.23 0.07 0.17 0.00 -2.18 0.00 0.00 60.65 58.93 1m9g h LYS 18 Cb 0.12 0.22 -0.16 0.00 -1.58 0.00 0.00 32.23 30.83 1m9g h LYS 18 CO -0.15 -0.64 -0.26 0.35 -1.08 0.00 0.00 179.45 177.67 1m9g h PHE 19 N -0.99 -0.60 -0.71 -1.35 3.57 -0.15 0.56 116.94 117.27 1m9g h PHE 19 Ca -0.07 0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.65 1m9g h PHE 19 Cb 0.82 0.40 -0.13 0.00 2.79 0.00 0.00 35.95 39.83 1m9g h PHE 19 CO -0.15 -0.39 -0.18 0.00 -2.23 0.00 0.00 178.31 175.36 1m9g h ALA 20 N 1.75 0.45 0.00 2.41 0.00 -0.63 0.18 119.26 123.41 1m9g h ALA 20 Ca 0.40 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1m9g h ALA 20 Cb 0.64 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1m9g h ALA 20 CO -0.91 -0.42 -0.11 0.28 0.00 0.00 0.00 179.25 178.09 1m9g h VAL 21 N -0.01 0.00 -0.47 0.00 2.07 -0.65 -3.29 116.25 113.90 1m9g h VAL 21 Ca 0.34 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1m9g h VAL 21 Cb 0.52 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.19 1m9g h VAL 21 CO -0.73 0.00 -0.29 -0.78 0.02 0.00 0.00 177.57 175.79 1m9g h ASP 22 N -0.35 -0.99 0.06 0.57 3.58 -0.06 0.28 116.42 119.52 1m9g h ASP 22 Ca 0.00 0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1m9g h ASP 22 Cb 0.11 0.49 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1m9g h ASP 22 CO 0.00 -0.29 -0.03 -0.08 -2.88 0.00 0.00 179.24 175.96 1m9g h GLU 23 N -0.19 -0.08 -0.64 0.28 4.81 -0.77 0.12 114.58 118.12 1m9g h GLU 23 Ca 0.21 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1m9g h GLU 23 Cb 0.52 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1m9g h GLU 23 CO -0.58 0.12 0.42 1.49 -0.73 0.00 0.00 179.01 179.73 1m9g h GLU 24 N -0.26 0.59 0.40 1.92 4.57 -1.42 0.12 114.58 120.50 1m9g h GLU 24 Ca -0.01 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1m9g h GLU 24 Cb 0.23 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1m9g h GLU 24 CO 0.01 0.39 -0.19 -0.97 -1.18 0.00 0.00 179.01 177.07 1m9g h ASN 25 N 0.61 -0.45 0.96 1.04 -0.73 0.14 0.27 115.58 117.42 1m9g h ASN 25 Ca 0.28 -0.09 -0.10 0.00 1.87 0.00 0.00 56.30 58.26 1m9g h ASN 25 Cb 0.31 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 1m9g h ASN 25 CO -0.09 -0.16 -0.46 0.07 -0.37 0.00 0.00 177.43 176.42 1m9g h LYS 26 N -0.75 0.00 0.02 6.67 5.09 -0.11 -3.27 116.57 124.22 1m9g h LYS 26 Ca -0.05 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.45 1m9g h LYS 26 Cb 0.52 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.82 1m9g h LYS 26 CO 0.09 0.46 -1.27 0.82 -2.09 0.00 0.00 179.45 177.46 1m9g h ILE 27 N 0.00 0.94 -5.18 0.07 1.08 -0.86 -3.50 117.51 110.07 1m9g h ILE 27 Ca -0.00 -2.22 -0.27 0.00 -0.39 0.00 0.00 64.86 61.98 1m9g h ILE 27 Cb 1.07 2.34 0.16 0.00 -3.07 0.00 0.00 36.82 37.32 1m9g h ILE 27 CO 0.06 0.41 -0.70 0.61 -0.69 0.00 0.00 178.15 177.84 1m9g n GLY 28 N 1.51 -0.48 0.09 5.37 0.00 0.95 -4.98 105.19 107.65 1m9g n GLY 28 Ca -0.30 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.42 0.00 0.00 1.61 5.75 -1.91 -3.46 115.11 115.68 1m9g h GLN 29 Ca -0.52 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1m9g h GLN 29 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1m9g h GLN 29 CO 0.42 0.64 0.00 0.98 -2.65 0.00 0.00 178.83 178.22 1m9g n TYR 30 N -4.52 0.00 0.00 3.99 9.36 -1.26 -5.11 117.16 119.62 1m9g n TYR 30 Ca -0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.01 1m9g n TYR 30 Cb 0.51 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 2.44 1.56 3.76 2.98 0.00 -1.26 -5.15 105.19 109.53 1m9g n GLY 31 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.01 2.94 0.00 1.61 6.06 -1.26 -5.07 118.95 123.22 1m9g s ARG 32 Ca 0.00 1.60 0.00 0.00 -2.50 0.00 0.00 55.73 54.83 1m9g s ARG 32 Cb 0.00 -1.95 0.00 0.00 0.06 0.00 0.00 34.95 33.06 1m9g s ARG 32 CO 0.00 -1.18 0.00 1.28 -2.50 0.00 0.00 175.30 172.90 1m9g n LEU 33 N -1.92 0.00 -5.02 -0.88 7.99 -1.26 -5.11 117.00 110.81 1m9g n LEU 33 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.92 1m9g n LEU 33 Cb 0.51 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.87 1m9g n LEU 33 CO 0.45 0.00 0.31 0.28 -1.51 0.00 0.00 177.39 176.92 1m9g s THR 34 N 0.08 2.12 -1.10 -5.08 -1.32 -1.26 -4.99 115.64 104.09 1m9g s THR 34 Ca 0.00 -1.05 -0.24 0.00 -1.21 0.00 0.00 61.69 59.19 1m9g s THR 34 Cb 0.00 -2.17 -0.13 0.00 -1.51 0.00 0.00 72.50 68.69 1m9g s THR 34 CO 0.00 0.00 2.02 -0.36 -2.21 0.00 0.00 174.62 174.07 1m9g s PHE 35 N -2.67 1.66 0.00 9.09 0.08 -1.26 -4.79 117.98 120.10 1m9g s PHE 35 Ca 0.59 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.79 1m9g s PHE 35 Cb -0.05 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1m9g s PHE 35 CO 0.37 -1.12 0.00 0.09 -0.10 0.00 0.00 175.22 174.47 1m9g n ASN 36 N 16.25 0.00 -2.66 1.36 3.02 -1.26 -5.13 115.26 126.84 1m9g n ASN 36 Ca 0.43 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.93 1m9g n ASN 36 Cb 0.46 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.66 1m9g n ASN 36 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1m9g n LYS 37 N 0.00 0.79 -4.02 3.52 4.81 -1.00 -5.06 118.16 117.21 1m9g n LYS 37 Ca 0.00 -1.62 -0.15 0.00 -0.87 0.00 0.00 58.31 55.67 1m9g n LYS 37 Cb 0.00 2.07 -0.15 0.00 0.02 0.00 0.00 35.03 36.97 1m9g n LYS 37 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1m9g s VAL 38 N -2.21 0.24 0.76 3.15 0.11 -1.26 -0.35 120.40 120.84 1m9g s VAL 38 Ca 0.16 -0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.03 1m9g s VAL 38 Cb -0.03 -0.24 0.05 0.00 -1.53 0.00 0.00 36.38 34.62 1m9g s VAL 38 CO 0.08 0.10 1.08 0.27 -3.33 0.00 0.00 175.10 173.30 1m9g s ILE 39 N 0.28 3.48 -0.07 7.04 -5.25 -0.78 -4.89 121.20 121.00 1m9g s ILE 39 Ca -0.03 0.48 -0.29 0.00 -0.99 0.00 0.00 60.65 59.82 1m9g s ILE 39 Cb -0.05 -3.07 0.10 0.00 2.95 0.00 0.00 42.46 42.39 1m9g s ILE 39 CO -0.01 -0.63 0.86 0.00 -1.79 0.00 0.00 174.94 173.38 1m9g s ARG 40 N -4.98 0.82 0.66 0.37 1.70 -1.26 -4.60 118.95 111.66 1m9g s ARG 40 Ca 0.60 0.01 -0.15 0.00 -0.47 0.00 0.00 55.73 55.73 1m9g s ARG 40 Cb -0.16 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1m9g s ARG 40 CO 0.56 -0.29 1.12 -1.25 -1.08 0.00 0.00 175.30 174.35 1m9g s PRO 41 N -1.83 2.78 0.06 3.89 0.04 -1.26 -5.19 135.00 133.48 1m9g s PRO 41 Ca -0.02 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1m9g s PRO 41 Cb -0.01 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1m9g s PRO 41 CO -0.00 -1.27 0.06 0.00 0.04 0.00 0.00 177.00 175.83 1m9g s MET 43 N -2.26 0.42 0.15 0.00 1.75 -1.14 -3.71 119.30 114.51 1m9g s MET 43 Ca 0.05 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.27 1m9g s MET 43 Cb -0.00 0.18 -0.04 0.00 2.84 0.00 0.00 34.83 37.80 1m9g s MET 43 CO 0.03 -0.10 -0.05 -1.59 -0.65 0.00 0.00 175.02 172.66 1m9g s LYS 44 N -1.04 1.04 0.07 4.11 0.00 -0.03 -0.93 119.74 122.96 1m9g s LYS 44 Ca -0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 55.97 54.38 1m9g s LYS 44 Cb -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 37.83 37.36 1m9g s LYS 44 CO 0.01 -0.02 0.10 0.36 0.00 0.00 0.00 175.35 175.80 1m9g n LYS 45 N -0.19 0.15 -4.84 1.78 0.00 -0.03 -0.57 118.16 114.46 1m9g n LYS 45 Ca -0.09 -0.47 -0.33 0.00 -0.00 0.00 0.00 58.31 57.42 1m9g n LYS 45 Cb 0.62 0.49 -0.13 0.00 -0.00 0.00 0.00 35.03 36.01 1m9g n LYS 45 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1m9g s THR 46 N -2.60 3.17 -0.10 0.58 -1.32 -1.26 -0.41 115.64 113.71 1m9g s THR 46 Ca 0.05 -0.68 -0.16 0.00 -1.21 0.00 0.00 61.69 59.69 1m9g s THR 46 Cb -0.00 -2.26 -0.05 0.00 -1.51 0.00 0.00 72.50 68.68 1m9g s THR 46 CO 0.03 0.59 0.40 -0.51 -2.21 0.00 0.00 174.62 172.92 1m9g s ILE 47 N -0.67 5.18 0.17 5.08 2.07 -0.41 -4.90 121.20 127.73 1m9g s ILE 47 Ca 0.10 0.80 0.07 0.00 -1.41 0.00 0.00 60.65 60.21 1m9g s ILE 47 Cb -0.11 -3.73 -0.04 0.00 0.13 0.00 0.00 42.46 38.71 1m9g s ILE 47 CO 0.01 0.42 0.01 -0.31 -1.91 0.00 0.00 174.94 173.16 1m9g s TYR 48 N 0.09 2.87 -0.97 3.50 2.02 -1.26 -3.10 117.35 120.49 1m9g s TYR 48 Ca 0.23 -0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 56.72 1m9g s TYR 48 Cb -0.15 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 1m9g s TYR 48 CO 0.09 0.52 0.81 -1.91 -1.57 0.00 0.00 175.55 173.49 1m9g n GLU 49 N -0.13 -1.71 -0.40 -0.62 0.00 0.13 -4.89 120.64 113.02 1m9g n GLU 49 Ca -0.10 0.94 -0.01 0.00 0.00 0.00 0.00 57.16 58.00 1m9g n GLU 49 Cb 0.55 -5.22 -0.01 0.00 0.00 0.00 0.00 31.44 26.76 1m9g n GLU 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1m9g n ASN 50 N -2.67 3.91 -1.23 4.31 6.94 -1.24 -4.93 115.26 120.35 1m9g n ASN 50 Ca -0.07 -2.05 0.17 0.00 -0.02 0.00 0.00 54.58 52.61 1m9g n ASN 50 Cb 0.58 -0.85 -0.04 0.00 -2.36 0.00 0.00 39.78 37.11 1m9g n ASN 50 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1m9g n GLU 51 N 1.73 -2.48 0.00 -3.83 1.02 -1.26 -4.84 120.64 110.98 1m9g n GLU 51 Ca 0.03 1.64 0.00 0.00 -0.02 0.00 0.00 57.16 58.81 1m9g n GLU 51 Cb 0.40 -3.03 0.00 0.00 -0.02 0.00 0.00 31.44 28.79 1m9g n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m9g n GLY 52 N -3.69 1.52 3.51 0.62 0.00 -1.26 -4.74 105.19 101.16 1m9g n GLY 52 Ca 0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1m9g n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1m9g s PHE 53 N -0.00 -0.46 -1.09 1.61 5.36 -1.26 -5.05 117.98 117.09 1m9g s PHE 53 Ca 0.00 0.20 -0.08 0.00 -0.96 0.00 0.00 56.93 56.09 1m9g s PHE 53 Cb 0.00 0.59 -0.12 0.00 -0.34 0.00 0.00 43.02 43.14 1m9g s PHE 53 CO 0.00 -0.90 2.92 2.89 -1.46 0.00 0.00 175.22 178.67 1m9g n ARG 54 N -0.39 2.96 -4.49 10.12 1.85 -1.26 -4.34 116.66 121.10 1m9g n ARG 54 Ca -0.14 -1.74 -0.23 0.00 -1.00 0.00 0.00 57.85 54.74 1m9g n ARG 54 Cb 0.64 -2.52 -0.11 0.00 -1.05 0.00 0.00 32.46 29.42 1m9g n ARG 54 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1m9g s GLU 55 N 2.12 1.72 -0.23 2.89 2.12 -1.26 -4.75 118.70 121.30 1m9g s GLU 55 Ca 0.63 -1.95 -0.11 0.00 0.36 0.00 0.00 54.97 53.89 1m9g s GLU 55 Cb 0.20 -1.10 -0.05 0.00 0.26 0.00 0.00 34.13 33.44 1m9g s GLU 55 CO -0.04 -0.13 0.20 0.42 -0.54 0.00 0.00 175.26 175.17 1m9g s ILE 56 N -3.11 5.34 -0.04 -3.70 1.09 -1.26 0.21 121.20 119.73 1m9g s ILE 56 Ca 0.35 0.27 -0.17 0.00 -1.10 0.00 0.00 60.65 60.01 1m9g s ILE 56 Cb 0.08 -3.53 -0.32 0.00 -1.06 0.00 0.00 42.46 37.63 1m9g s ILE 56 CO 0.16 0.34 0.80 0.50 -0.10 0.00 0.00 174.94 176.64 1m9g h LYS 57 N 7.40 0.38 0.00 2.79 3.64 -1.91 -3.45 116.57 125.42 1m9g h LYS 57 Ca -0.38 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.35 1m9g h LYS 57 Cb 1.17 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1m9g h LYS 57 CO 0.68 1.31 0.00 0.41 -2.27 0.00 0.00 179.45 179.58 1m9g n GLY 58 N 1.74 0.19 3.86 5.01 0.00 -1.24 -0.94 105.19 113.81 1m9g n GLY 58 Ca -0.20 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.26 3.52 -0.01 1.61 2.02 -1.25 -1.28 117.35 118.70 1m9g s TYR 59 Ca 0.00 1.33 -0.08 0.00 -0.37 0.00 0.00 57.07 57.95 1m9g s TYR 59 Cb 0.00 -2.76 0.01 0.00 -0.40 0.00 0.00 41.96 38.81 1m9g s TYR 59 CO 0.00 -0.77 0.16 -2.00 -1.57 0.00 0.00 175.55 171.37 1m9g s GLU 60 N -5.06 0.47 -0.19 -0.62 2.12 0.45 -0.32 118.70 115.55 1m9g s GLU 60 Ca 0.56 -0.31 -0.00 0.00 0.36 0.00 0.00 54.97 55.58 1m9g s GLU 60 Cb -0.12 0.20 0.05 0.00 0.26 0.00 0.00 34.13 34.52 1m9g s GLU 60 CO 0.52 -0.11 -0.05 0.71 -0.54 0.00 0.00 175.26 175.80 1m9g s TYR 61 N -1.21 1.83 -0.54 5.30 2.02 0.56 -0.85 117.35 124.45 1m9g s TYR 61 Ca -0.13 -1.24 -0.15 0.00 -0.37 0.00 0.00 57.07 55.19 1m9g s TYR 61 Cb -0.07 -1.36 0.13 0.00 -0.40 0.00 0.00 41.96 40.26 1m9g s TYR 61 CO 0.02 -0.66 0.48 -1.14 -1.57 0.00 0.00 175.55 172.68 1m9g s GLN 62 N 1.59 2.92 0.35 -0.62 0.74 -0.10 -1.10 119.66 123.44 1m9g s GLN 62 Ca -0.01 -1.76 0.07 0.00 0.05 0.00 0.00 55.36 53.70 1m9g s GLN 62 Cb -0.16 -4.23 -0.07 0.00 1.10 0.00 0.00 33.01 29.65 1m9g s GLN 62 CO -0.07 -1.30 -0.01 -0.48 -0.55 0.00 0.00 175.29 172.87 1m9g s LEU 63 N 1.47 2.59 -0.35 3.68 0.05 -0.04 -2.90 118.68 123.18 1m9g s LEU 63 Ca 0.04 -1.30 -0.01 0.00 0.05 0.00 0.00 54.13 52.92 1m9g s LEU 63 Cb -0.28 -0.73 0.12 0.00 -2.05 0.00 0.00 46.19 43.25 1m9g s LEU 63 CO 0.02 -0.42 0.17 -0.31 -0.55 0.00 0.00 176.35 175.25 1m9g s TYR 64 N -2.91 1.22 -0.09 3.48 2.02 -1.26 -0.16 117.35 119.66 1m9g s TYR 64 Ca 0.34 -1.70 -0.28 0.00 -0.37 0.00 0.00 57.07 55.06 1m9g s TYR 64 Cb 0.07 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1m9g s TYR 64 CO 0.16 -0.83 0.93 0.54 -1.57 0.00 0.00 175.55 174.77 1m9g s VAL 65 N 1.26 4.85 -0.38 0.71 0.11 -1.00 -1.87 120.40 124.10 1m9g s VAL 65 Ca 0.14 1.90 -0.24 0.00 -2.93 0.00 0.00 61.98 60.84 1m9g s VAL 65 Cb -0.20 -4.25 0.01 0.00 -1.53 0.00 0.00 36.38 30.41 1m9g s VAL 65 CO -0.14 0.08 0.84 -0.47 -3.33 0.00 0.00 175.10 172.08 1m9g s TYR 66 N 1.64 3.08 -0.02 1.54 5.04 0.53 -2.40 117.35 126.77 1m9g s TYR 66 Ca 0.46 0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 55.67 1m9g s TYR 66 Cb -0.19 -3.54 0.01 0.00 0.35 0.00 0.00 41.96 38.60 1m9g s TYR 66 CO 0.19 -0.80 0.06 0.00 -1.34 0.00 0.00 175.55 173.67 1m9g s ALA 67 N 3.28 -0.15 -1.07 3.97 0.00 -0.02 -2.37 121.76 125.40 1m9g s ALA 67 Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1m9g s ALA 67 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1m9g s ALA 67 CO 0.18 -0.03 0.00 0.45 0.00 0.00 0.00 175.76 176.36 1m9g n SER 68 N 3.08 -3.60 -0.53 0.00 2.88 -1.26 -0.27 113.62 113.92 1m9g n SER 68 Ca -0.13 0.23 -0.07 0.00 -1.33 0.00 0.00 58.87 57.57 1m9g n SER 68 Cb 0.59 -3.15 -0.03 0.00 -0.75 0.00 0.00 64.21 60.87 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 -1.42 -5.38 -4.88 -3.46 2.03 -1.26 -5.00 116.55 97.18 1m9g n ASP 69 Ca -0.13 0.17 -0.24 0.00 0.52 0.00 0.00 54.79 55.11 1m9g n ASP 69 Cb 0.55 -3.49 -0.04 0.00 -0.72 0.00 0.00 41.12 37.43 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 -2.39 3.17 -0.50 -0.67 -0.14 0.63 -4.96 119.74 114.87 1m9g s LYS 70 Ca 0.00 -0.82 -0.24 0.00 -1.36 0.00 0.00 55.97 53.55 1m9g s LYS 70 Cb 0.00 -2.77 0.03 0.00 -1.68 0.00 0.00 37.83 33.42 1m9g s LYS 70 CO 0.00 0.46 0.89 -0.51 -0.76 0.00 0.00 175.35 175.44 1m9g s LEU 71 N -3.51 4.14 -0.33 3.17 1.43 -1.13 -0.84 118.68 121.61 1m9g s LEU 71 Ca 0.33 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1m9g s LEU 71 Cb -0.10 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1m9g s LEU 71 CO 0.26 -1.10 0.17 -0.36 0.23 0.00 0.00 176.35 175.55 1m9g s PHE 72 N 3.72 3.20 0.55 0.29 0.08 -1.01 -0.43 117.98 124.38 1m9g s PHE 72 Ca 0.31 -0.67 -0.21 0.00 0.12 0.00 0.00 56.93 56.48 1m9g s PHE 72 Cb -0.12 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 1m9g s PHE 72 CO 0.22 -0.51 1.28 0.50 -0.10 0.00 0.00 175.22 176.61 1m9g s ARG 73 N 1.60 3.18 -0.08 0.44 3.52 -0.79 -2.37 118.95 124.45 1m9g s ARG 73 Ca 0.04 2.04 -0.03 0.00 -0.13 0.00 0.00 55.73 57.65 1m9g s ARG 73 Cb -0.18 -2.18 0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1m9g s ARG 73 CO 0.07 -1.10 0.07 0.00 -0.81 0.00 0.00 175.30 173.53 1m9g s ALA 74 N -1.42 0.26 -0.49 6.12 0.00 0.78 -0.01 121.76 127.00 1m9g s ALA 74 Ca 0.72 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1m9g s ALA 74 Cb -0.36 -0.76 0.13 0.00 0.00 0.00 0.00 23.12 22.14 1m9g s ALA 74 CO 0.41 -0.70 0.25 0.16 0.00 0.00 0.00 175.76 175.88 1m9g s ASP 75 N 2.17 4.87 0.10 0.00 -4.77 -1.24 -0.86 116.67 116.93 1m9g s ASP 75 Ca 0.04 -2.58 -0.18 0.00 -3.30 0.00 0.00 52.55 46.54 1m9g s ASP 75 Cb -0.13 -1.74 -0.07 0.00 -1.09 0.00 0.00 42.92 39.89 1m9g s ASP 75 CO -0.05 -0.37 0.57 -0.63 0.70 0.00 0.00 175.17 175.39 1m9g s ILE 76 N 0.34 4.77 0.14 2.11 1.09 -0.26 -3.11 121.20 126.29 1m9g s ILE 76 Ca 0.14 1.10 0.10 0.00 -1.10 0.00 0.00 60.65 60.88 1m9g s ILE 76 Cb -0.22 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.30 1m9g s ILE 76 CO -0.04 0.45 -0.24 -0.55 -0.10 0.00 0.00 174.94 174.47 1m9g s SER 77 N -1.31 3.06 0.31 3.58 0.15 -1.19 -0.33 113.70 117.97 1m9g s SER 77 Ca 0.32 -0.77 0.10 0.00 0.70 0.00 0.00 55.95 56.29 1m9g s SER 77 Cb -0.18 -0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.88 1m9g s SER 77 CO 0.19 0.11 -0.05 -1.61 1.20 0.00 0.00 173.24 173.08 1m9g s GLU 78 N -2.25 2.01 -0.51 5.44 2.02 0.57 -0.63 118.70 125.35 1m9g s GLU 78 Ca 0.14 -1.70 -0.23 0.00 0.02 0.00 0.00 54.97 53.20 1m9g s GLU 78 Cb -0.09 -1.92 0.04 0.00 0.10 0.00 0.00 34.13 32.26 1m9g s GLU 78 CO 0.06 0.23 0.81 0.34 0.02 0.00 0.00 175.26 176.73 1m9g s ASP 79 N -3.65 6.33 0.34 -0.19 2.15 -1.09 -3.87 116.67 116.69 1m9g s ASP 79 Ca 0.33 -0.40 0.22 0.00 0.43 0.00 0.00 52.55 53.12 1m9g s ASP 79 Cb -0.02 -2.38 1.19 0.00 -0.30 0.00 0.00 42.92 41.40 1m9g s ASP 79 CO 0.18 -1.04 1.32 0.00 -0.17 0.00 0.00 175.17 175.46 1m9g n TYR 80 N 6.90 0.81 -0.32 -5.34 9.36 -0.12 -1.89 117.16 126.57 1m9g n TYR 80 Ca -0.00 0.82 0.13 0.00 3.32 0.00 0.00 57.90 62.17 1m9g n TYR 80 Cb 0.47 -1.24 0.32 0.00 -0.63 0.00 0.00 39.34 38.26 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 0.54 0.00 2.98 1.63 -1.93 -3.43 116.57 116.36 1m9g h LYS 81 Ca 0.73 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1m9g h LYS 81 Cb 2.11 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.62 1m9g h LYS 81 CO -0.54 0.35 0.00 2.41 -3.45 0.00 0.00 179.45 178.23 1m9g n THR 82 N -4.92 0.00 0.00 1.00 -1.04 -0.79 -5.08 114.28 103.44 1m9g n THR 82 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1m9g n THR 82 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.72 0.00 -0.97 -2.82 1.85 -0.95 -4.95 116.66 108.09 1m9g n ARG 83 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1m9g n ARG 83 Cb 0.00 0.00 0.18 0.00 -1.05 0.00 0.00 32.46 31.59 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 1.60 -0.15 2.89 0.00 -1.25 -4.80 107.32 105.61 1m9g s GLY 84 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 1m9g s GLY 84 CO 0.00 0.50 -0.04 1.09 0.00 0.00 0.00 173.10 174.65 1m9g s ARG 85 N -4.79 1.23 -0.14 2.90 1.04 -1.26 -2.69 118.95 115.25 1m9g s ARG 85 Ca 0.65 -0.36 -0.05 0.00 -1.04 0.00 0.00 55.73 54.93 1m9g s ARG 85 Cb -0.20 -1.79 -0.04 0.00 -2.04 0.00 0.00 34.95 30.88 1m9g s ARG 85 CO 0.59 -0.41 0.04 0.15 -0.04 0.00 0.00 175.30 175.64 1m9g s LYS 86 N 1.72 3.54 -0.83 3.89 -0.14 0.20 -5.01 119.74 123.11 1m9g s LYS 86 Ca 0.02 -0.35 -0.25 0.00 -1.36 0.00 0.00 55.97 54.03 1m9g s LYS 86 Cb -0.15 -3.04 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 1m9g s LYS 86 CO -0.07 0.48 1.83 -1.17 -0.76 0.00 0.00 175.35 175.66 1m9g s LEU 87 N -0.24 3.24 0.00 3.17 0.20 -1.26 -3.19 118.68 120.59 1m9g s LEU 87 Ca 0.07 -0.48 0.07 0.00 0.69 0.00 0.00 54.13 54.48 1m9g s LEU 87 Cb -0.12 -2.55 0.08 0.00 -0.43 0.00 0.00 46.19 43.17 1m9g s LEU 87 CO 0.02 -2.46 0.80 0.18 -0.29 0.00 0.00 176.35 174.61 1m9g n LEU 88 N 12.82 1.77 -4.39 -0.68 7.99 -1.26 -5.03 117.00 128.22 1m9g n LEU 88 Ca 0.32 -1.20 -0.30 0.00 -0.01 0.00 0.00 56.01 54.82 1m9g n LEU 88 Cb 0.49 -0.03 0.22 0.00 -0.11 0.00 0.00 43.42 43.99 1m9g n LEU 88 CO 0.64 0.39 0.09 -2.11 -1.51 0.00 0.00 177.39 174.89 1m9g n ARG 89 N 0.34 -2.12 -2.79 3.23 1.85 -1.18 -3.60 116.66 112.38 1m9g n ARG 89 Ca 0.05 -0.59 -0.04 0.00 -1.00 0.00 0.00 57.85 56.27 1m9g n ARG 89 Cb 0.21 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.64 1m9g n ARG 89 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1m9g n PHE 90 N -4.76 -3.71 -4.09 2.89 3.72 -0.95 -4.78 117.46 105.77 1m9g n PHE 90 Ca 0.02 1.59 -0.10 0.00 -0.05 0.00 0.00 57.45 58.91 1m9g n PHE 90 Cb 0.57 -3.95 -0.09 0.00 -0.94 0.00 0.00 39.48 35.07 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 -1.99 0.18 0.00 4.37 3.84 0.98 -4.98 114.94 117.35 1m9g s ASN 91 Ca 0.10 -1.11 0.00 0.00 0.21 0.00 0.00 52.86 52.06 1m9g s ASN 91 Cb -0.03 0.37 0.00 0.00 -0.55 0.00 0.00 41.25 41.04 1m9g s ASN 91 CO 0.76 -0.82 0.00 0.61 -2.79 0.00 0.00 177.10 174.87 1m9g n GLY 92 N -0.17 1.05 3.68 1.21 0.00 -1.26 -1.88 105.19 107.81 1m9g n GLY 92 Ca -0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 0.31 -0.12 1.61 0.04 -1.26 -5.10 135.00 130.48 1m9g s PRO 93 Ca 0.00 0.44 0.01 0.00 0.04 0.00 0.00 61.00 61.49 1m9g s PRO 93 Cb 0.00 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1m9g s PRO 93 CO 0.00 -2.80 -0.15 0.08 0.04 0.00 0.00 177.00 174.18 1m9g s VAL 94 N -3.00 2.91 0.64 -0.36 1.01 0.43 -4.99 120.40 117.04 1m9g s VAL 94 Ca 0.66 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1m9g s VAL 94 Cb -0.18 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1m9g s VAL 94 CO 0.57 0.54 1.07 -2.16 0.00 0.00 0.00 175.10 175.12 1m9g s PRO 95 N 0.24 3.08 0.67 2.72 0.04 -1.26 -2.83 135.00 137.65 1m9g s PRO 95 Ca -0.10 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 1m9g s PRO 95 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1m9g s PRO 95 CO 0.06 -1.00 1.11 -1.25 0.04 0.00 0.00 177.00 175.96 1m9g s PRO 96 N -4.31 2.76 0.00 0.56 0.04 -1.26 -4.82 135.00 127.97 1m9g s PRO 96 Ca 0.63 1.39 0.28 0.00 0.04 0.00 0.00 61.00 63.34 1m9g s PRO 96 Cb -0.17 -1.95 1.68 0.00 0.04 0.00 0.00 34.50 34.11 1m9g s PRO 96 CO 0.42 -1.28 2.02 -0.35 0.04 0.00 0.00 177.00 177.85