#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9g s GLY 2 N 0.00 2.28 0.00 3.03 0.00 -1.26 -4.10 107.32 107.27 1m9g s GLY 2 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1m9g s GLY 2 CO 0.00 2.23 0.00 -2.21 0.00 0.00 0.00 173.10 173.12 1m9g n GLU 3 N 2.75 0.00 -4.00 2.90 2.13 -1.26 -4.91 120.64 118.25 1m9g n GLU 3 Ca 0.08 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.59 1m9g n GLU 3 Cb 0.41 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.07 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 0.00 3.33 0.26 4.31 0.52 -1.26 -4.18 118.94 121.92 1m9g s TRP 4 Ca 0.00 0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.30 1m9g s TRP 4 Cb 0.00 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 1m9g s TRP 4 CO 0.00 0.55 0.05 -1.21 0.02 0.00 0.00 176.95 176.36 1m9g s GLU 5 N -2.42 1.42 0.56 4.98 8.01 0.28 -4.99 118.70 126.54 1m9g s GLU 5 Ca 0.31 -1.76 -0.21 0.00 0.01 0.00 0.00 54.97 53.33 1m9g s GLU 5 Cb -0.13 -0.52 -0.05 0.00 -4.31 0.00 0.00 34.13 29.13 1m9g s GLU 5 CO 0.24 -0.19 1.26 0.44 0.01 0.00 0.00 175.26 177.01 1m9g n ILE 6 N -0.49 3.86 -2.94 -1.63 -6.64 -1.26 -1.39 119.36 108.87 1m9g n ILE 6 Ca -0.03 -0.50 -0.41 0.00 -1.77 0.00 0.00 62.75 60.05 1m9g n ILE 6 Cb 0.65 -1.51 -0.04 0.00 -1.44 0.00 0.00 39.64 37.30 1m9g n ILE 6 CO 0.00 0.00 0.00 -0.51 -1.77 0.00 0.00 176.55 174.27 1m9g s ILE 7 N -1.34 4.95 0.66 7.28 2.07 -1.23 -4.59 121.20 128.99 1m9g s ILE 7 Ca 0.73 1.59 -0.12 0.00 -1.41 0.00 0.00 60.65 61.44 1m9g s ILE 7 Cb -0.42 -4.11 -0.01 0.00 0.13 0.00 0.00 42.46 38.05 1m9g s ILE 7 CO 0.48 0.13 1.05 -0.62 -1.91 0.00 0.00 174.94 174.08 1m9g s ASP 8 N 1.00 5.64 0.56 4.50 2.15 -1.26 -4.92 116.67 124.33 1m9g s ASP 8 Ca 0.39 1.61 0.06 0.00 0.43 0.00 0.00 52.55 55.05 1m9g s ASP 8 Cb -0.17 -2.50 0.07 0.00 -0.30 0.00 0.00 42.92 40.02 1m9g s ASP 8 CO 0.16 -1.27 0.77 -0.63 -0.17 0.00 0.00 175.17 174.03 1m9g s ILE 9 N -2.96 2.43 0.00 4.11 -1.09 -1.26 -1.70 121.20 120.73 1m9g s ILE 9 Ca 0.58 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1m9g s ILE 9 Cb -0.14 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1m9g s ILE 9 CO 0.51 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 1m9g n GLY 10 N -2.26 3.17 2.48 6.18 0.00 -1.26 -3.97 105.19 109.53 1m9g n GLY 10 Ca 0.13 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 13.51 2.98 0.00 1.61 -0.04 -1.26 -2.75 135.00 149.06 1m9g n PRO 11 Ca 0.00 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1m9g n PRO 11 Cb 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 4.11 0.00 -0.17 0.54 7.35 -1.26 -4.76 117.46 123.27 1m9g n PHE 12 Ca 0.64 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.29 1m9g n PHE 12 Cb 0.21 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.10 1m9g n PHE 12 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1m9g h THR 13 N 0.00 0.95 -0.19 -2.13 1.03 -1.43 0.81 112.91 111.95 1m9g h THR 13 Ca 0.00 -0.17 -0.18 0.00 -0.01 0.00 0.00 66.41 66.04 1m9g h THR 13 Cb 0.00 0.40 0.01 0.00 -1.07 0.00 0.00 68.15 67.48 1m9g h THR 13 CO 0.00 0.09 -0.60 1.56 -0.01 0.00 0.00 175.52 176.56 1m9g h GLN 14 N 0.51 0.74 -0.58 0.00 4.20 -1.80 0.36 115.11 118.53 1m9g h GLN 14 Ca 0.23 -0.54 0.09 0.00 0.06 0.00 0.00 58.65 58.49 1m9g h GLN 14 Cb 0.15 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1m9g h GLN 14 CO -0.16 1.16 0.19 -0.97 -0.67 0.00 0.00 178.83 178.37 1m9g h ASN 15 N 0.46 0.14 -0.18 1.46 -0.00 -1.54 0.16 115.58 116.09 1m9g h ASN 15 Ca -0.02 0.09 -0.05 0.00 -0.00 0.00 0.00 56.30 56.31 1m9g h ASN 15 Cb 1.22 0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 39.62 1m9g h ASN 15 CO 0.13 0.09 -0.09 -0.07 -0.00 0.00 0.00 177.43 177.49 1m9g h LEU 16 N 0.35 0.39 -0.59 0.34 3.38 -0.68 0.18 115.31 118.68 1m9g h LEU 16 Ca 0.30 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1m9g h LEU 16 Cb 0.38 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1m9g h LEU 16 CO -0.32 0.71 0.19 0.00 0.09 0.00 0.00 178.44 179.11 1m9g h ALA 17 N 0.69 0.73 -0.02 1.53 0.00 -0.62 -1.35 119.26 120.22 1m9g h ALA 17 Ca 0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1m9g h ALA 17 Cb 0.57 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1m9g h ALA 17 CO 0.03 -0.23 0.01 0.87 0.00 0.00 0.00 179.25 179.93 1m9g h LYS 18 N 0.36 0.03 -0.62 0.00 1.79 -0.55 -3.01 116.57 114.57 1m9g h LYS 18 Ca 0.30 -0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.88 1m9g h LYS 18 Cb 0.38 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 30.91 1m9g h LYS 18 CO -0.32 0.19 -0.21 0.35 -1.08 0.00 0.00 179.45 178.38 1m9g h PHE 19 N -0.13 -0.50 -0.08 -1.35 3.57 0.02 0.27 116.94 118.75 1m9g h PHE 19 Ca 0.01 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1m9g h PHE 19 Cb 0.17 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1m9g h PHE 19 CO -0.02 -0.31 -0.14 0.00 -2.23 0.00 0.00 178.31 175.62 1m9g h ALA 20 N 1.45 -0.46 -0.09 2.41 0.00 -1.24 0.74 119.26 122.06 1m9g h ALA 20 Ca 0.29 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1m9g h ALA 20 Cb 0.50 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1m9g h ALA 20 CO -0.66 -0.52 0.04 0.28 0.00 0.00 0.00 179.25 178.39 1m9g h VAL 21 N -0.12 1.00 0.46 0.00 2.07 -1.11 -1.18 116.25 117.38 1m9g h VAL 21 Ca 0.01 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1m9g h VAL 21 Cb 0.16 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1m9g h VAL 21 CO -0.13 0.02 -0.41 -0.78 0.02 0.00 0.00 177.57 176.28 1m9g h ASP 22 N 0.10 -1.10 -0.72 0.57 3.58 -0.47 0.19 116.42 118.56 1m9g h ASP 22 Ca 0.04 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.64 1m9g h ASP 22 Cb 0.01 0.36 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 1m9g h ASP 22 CO -0.03 -0.56 0.41 -0.08 -2.88 0.00 0.00 179.24 176.10 1m9g h GLU 23 N -0.86 0.72 0.04 0.28 4.22 -0.81 0.20 114.58 118.38 1m9g h GLU 23 Ca -0.06 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.36 1m9g h GLU 23 Cb 0.73 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1m9g h GLU 23 CO -0.02 0.48 -0.24 1.49 -2.18 0.00 0.00 179.01 178.54 1m9g h GLU 24 N 0.74 -0.38 -0.75 1.92 4.22 -1.03 0.01 114.58 119.31 1m9g h GLU 24 Ca 0.33 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.87 1m9g h GLU 24 Cb 0.21 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1m9g h GLU 24 CO -0.19 -0.26 0.49 -0.91 -2.18 0.00 0.00 179.01 175.96 1m9g h ASN 25 N -0.40 0.67 0.80 1.04 2.35 0.77 0.44 115.58 121.24 1m9g h ASN 25 Ca 0.05 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1m9g h ASN 25 Cb 0.46 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.70 1m9g h ASN 25 CO -0.19 0.42 -0.38 0.50 -1.65 0.00 0.00 177.43 176.13 1m9g h LYS 26 N 0.75 -1.03 0.09 0.81 1.63 0.01 -3.38 116.57 115.45 1m9g h LYS 26 Ca 0.33 0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1m9g h LYS 26 Cb 0.31 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1m9g h LYS 26 CO -0.11 -0.69 -0.05 0.82 -3.45 0.00 0.00 179.45 175.97 1m9g h ILE 27 N -1.23 0.92 -3.08 2.00 1.08 -0.60 -3.50 117.51 113.10 1m9g h ILE 27 Ca -0.11 -1.39 -0.01 0.00 -0.39 0.00 0.00 64.86 62.96 1m9g h ILE 27 Cb 0.82 1.63 0.01 0.00 -3.07 0.00 0.00 36.82 36.21 1m9g h ILE 27 CO 0.18 0.27 -0.02 0.61 -0.69 0.00 0.00 178.15 178.50 1m9g n GLY 28 N 1.04 0.75 0.11 5.37 0.00 0.15 -5.05 105.19 107.57 1m9g n GLY 28 Ca -0.07 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1m9g n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1m9g n GLN 29 N -1.51 0.55 0.00 1.61 3.00 -1.26 -4.96 117.38 114.81 1m9g n GLN 29 Ca -0.00 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1m9g n GLN 29 Cb 0.50 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.15 1m9g n GLN 29 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1m9g n TYR 30 N -4.40 0.00 0.00 1.08 4.11 -1.26 -5.16 117.16 111.54 1m9g n TYR 30 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.56 1m9g n TYR 30 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.01 1m9g n TYR 30 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1m9g n GLY 31 N 2.43 3.21 2.04 -7.48 0.00 -1.26 -4.92 105.19 99.20 1m9g n GLY 31 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 1m9g n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1m9g n ARG 32 N 0.99 1.91 0.00 1.61 0.00 -1.26 -4.96 116.66 114.95 1m9g n ARG 32 Ca 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 57.85 56.33 1m9g n ARG 32 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 30.71 1m9g n ARG 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1m9g n LEU 33 N 0.96 0.00 -4.06 6.15 7.99 -1.26 -2.85 117.00 123.93 1m9g n LEU 33 Ca 0.34 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 55.98 1m9g n LEU 33 Cb 0.61 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.85 1m9g n LEU 33 CO 0.28 0.00 0.37 1.07 -1.51 0.00 0.00 177.39 177.59 1m9g n THR 34 N 0.00 3.07 -1.50 -5.08 5.66 -1.26 -4.97 114.28 110.20 1m9g n THR 34 Ca 0.00 -5.16 0.00 0.00 -3.05 0.00 0.00 64.05 55.84 1m9g n THR 34 Cb 0.00 -2.35 0.00 0.00 -1.55 0.00 0.00 70.33 66.43 1m9g n THR 34 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1m9g n PHE 35 N 2.16 0.00 0.00 1.09 1.16 -1.13 -4.91 117.46 115.83 1m9g n PHE 35 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.80 1m9g n PHE 35 Cb 0.37 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.24 1m9g n PHE 35 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1m9g n ASN 36 N 0.75 0.00 -3.67 5.98 3.02 -1.26 -5.15 115.26 114.93 1m9g n ASN 36 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1m9g n ASN 36 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1m9g n ASN 36 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1m9g s LYS 37 N 1.26 0.90 -0.13 3.52 2.20 -1.26 -5.07 119.74 121.17 1m9g s LYS 37 Ca 0.00 -0.47 -0.06 0.00 -0.36 0.00 0.00 55.97 55.08 1m9g s LYS 37 Cb 0.00 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 1m9g s LYS 37 CO 0.00 -0.41 0.11 0.54 -0.36 0.00 0.00 175.35 175.23 1m9g s VAL 38 N -3.02 5.27 0.99 4.02 0.11 -1.26 -0.31 120.40 126.19 1m9g s VAL 38 Ca 0.11 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.16 1m9g s VAL 38 Cb 0.00 -3.30 0.18 0.00 -1.53 0.00 0.00 36.38 31.73 1m9g s VAL 38 CO -0.02 0.59 1.08 0.27 -3.33 0.00 0.00 175.10 173.70 1m9g s ILE 39 N -0.79 2.32 0.10 7.04 -5.25 -0.40 -4.87 121.20 119.35 1m9g s ILE 39 Ca 0.13 0.10 -0.07 0.00 -0.99 0.00 0.00 60.65 59.83 1m9g s ILE 39 Cb -0.12 -2.41 -0.01 0.00 2.95 0.00 0.00 42.46 42.87 1m9g s ILE 39 CO 0.03 -0.14 0.17 -0.13 -1.79 0.00 0.00 174.94 173.08 1m9g s ARG 40 N -4.77 0.88 0.68 0.37 3.00 -1.26 -4.55 118.95 113.30 1m9g s ARG 40 Ca 0.66 -1.08 -0.13 0.00 0.00 0.00 0.00 55.73 55.17 1m9g s ARG 40 Cb -0.21 0.32 0.01 0.00 0.00 0.00 0.00 34.95 35.07 1m9g s ARG 40 CO 0.59 -0.27 1.08 -1.25 0.00 0.00 0.00 175.30 175.45 1m9g s PRO 41 N -3.91 2.82 0.49 3.54 0.04 -1.26 -5.20 135.00 131.53 1m9g s PRO 41 Ca 0.09 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1m9g s PRO 41 Cb 0.05 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1m9g s PRO 41 CO -0.08 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 175.75 1m9g s MET 43 N -3.78 0.84 0.17 0.00 1.75 -0.79 -3.57 119.30 113.91 1m9g s MET 43 Ca 0.00 -1.19 -0.12 0.00 -1.25 0.00 0.00 55.69 53.13 1m9g s MET 43 Cb 0.00 0.28 0.01 0.00 2.84 0.00 0.00 34.83 37.96 1m9g s MET 43 CO 0.00 -0.24 0.37 -1.59 -0.65 0.00 0.00 175.02 172.91 1m9g s LYS 44 N -3.94 1.20 0.38 4.11 0.00 -0.49 -0.81 119.74 120.19 1m9g s LYS 44 Ca 0.12 -1.02 -0.10 0.00 0.00 0.00 0.00 55.97 54.97 1m9g s LYS 44 Cb 0.06 0.43 0.04 0.00 0.00 0.00 0.00 37.83 38.36 1m9g s LYS 44 CO -0.06 -0.46 0.67 -1.59 0.00 0.00 0.00 175.35 173.91 1m9g s LYS 45 N -3.91 2.14 -0.22 1.78 0.00 -0.04 -0.56 119.74 118.92 1m9g s LYS 45 Ca 0.12 -1.59 0.01 0.00 0.00 0.00 0.00 55.97 54.51 1m9g s LYS 45 Cb 0.02 0.56 0.03 0.00 0.00 0.00 0.00 37.83 38.44 1m9g s LYS 45 CO -0.03 -0.96 -0.13 -0.08 0.00 0.00 0.00 175.35 174.15 1m9g s THR 46 N -2.53 2.38 0.42 3.79 -1.32 -1.26 -0.92 115.64 116.21 1m9g s THR 46 Ca 0.22 -1.13 -0.23 0.00 -1.21 0.00 0.00 61.69 59.34 1m9g s THR 46 Cb -0.03 -2.17 -0.09 0.00 -1.51 0.00 0.00 72.50 68.69 1m9g s THR 46 CO 0.15 0.28 1.04 -0.51 -2.21 0.00 0.00 174.62 173.37 1m9g s ILE 47 N 1.26 3.80 0.42 5.08 2.07 -0.16 -4.89 121.20 128.78 1m9g s ILE 47 Ca -0.00 1.29 0.02 0.00 -1.41 0.00 0.00 60.65 60.54 1m9g s ILE 47 Cb -0.16 -3.62 0.02 0.00 0.13 0.00 0.00 42.46 38.83 1m9g s ILE 47 CO -0.08 -0.08 0.14 -1.22 -1.91 0.00 0.00 174.94 171.79 1m9g n TYR 48 N -0.35 0.20 -0.97 3.50 4.01 -1.26 -3.57 117.16 118.72 1m9g n TYR 48 Ca 0.06 -1.93 -0.19 0.00 -0.16 0.00 0.00 57.90 55.68 1m9g n TYR 48 Cb 0.51 -0.31 -0.10 0.00 -0.31 0.00 0.00 39.34 39.13 1m9g n TYR 48 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1m9g n GLU 49 N -1.23 2.29 -0.93 -0.72 0.00 -1.26 -4.67 120.64 114.12 1m9g n GLU 49 Ca -0.10 -1.28 -0.28 0.00 0.00 0.00 0.00 57.16 55.50 1m9g n GLU 49 Cb 0.51 -2.22 -0.02 0.00 0.00 0.00 0.00 31.44 29.71 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 3.02 6.10 -3.62 -1.84 4.13 -1.26 -4.71 115.26 117.08 1m9g n ASN 50 Ca 0.49 -2.41 -0.02 0.00 1.68 0.00 0.00 54.58 54.32 1m9g n ASN 50 Cb 0.57 -1.25 -0.00 0.00 -1.54 0.00 0.00 39.78 37.56 1m9g n ASN 50 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1m9g s GLU 51 N 3.04 1.07 0.00 3.52 2.12 -1.26 -5.04 118.70 122.15 1m9g s GLU 51 Ca 0.49 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1m9g s GLU 51 Cb 0.13 0.34 -0.15 0.00 0.26 0.00 0.00 34.13 34.71 1m9g s GLU 51 CO -0.04 -0.49 2.88 0.41 -0.54 0.00 0.00 175.26 177.48 1m9g n GLY 52 N -0.56 2.76 3.59 -1.50 0.00 -1.26 -4.62 105.19 103.61 1m9g n GLY 52 Ca -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 0.56 -0.98 -1.18 1.61 0.08 -1.26 -5.07 117.98 111.74 1m9g s PHE 53 Ca 0.37 1.79 -0.13 0.00 0.12 0.00 0.00 56.93 59.08 1m9g s PHE 53 Cb 0.17 0.59 -0.06 0.00 -0.57 0.00 0.00 43.02 43.15 1m9g s PHE 53 CO 0.00 -0.49 2.30 -2.13 -0.10 0.00 0.00 175.22 174.81 1m9g n ARG 54 N 4.76 2.52 -3.80 0.44 0.63 -1.26 -4.77 116.66 115.18 1m9g n ARG 54 Ca -0.14 -1.99 -0.32 0.00 -0.92 0.00 0.00 57.85 54.47 1m9g n ARG 54 Cb 0.54 -2.84 -0.10 0.00 0.45 0.00 0.00 32.46 30.50 1m9g n ARG 54 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1m9g s GLU 55 N 3.44 2.62 0.26 -0.14 2.56 -1.26 -5.03 118.70 121.15 1m9g s GLU 55 Ca 0.53 -3.04 -0.30 0.00 0.00 0.00 0.00 54.97 52.16 1m9g s GLU 55 Cb 0.14 -3.61 -0.11 0.00 2.00 0.00 0.00 34.13 32.55 1m9g s GLU 55 CO -0.02 -1.23 1.57 0.42 -0.56 0.00 0.00 175.26 175.45 1m9g s ILE 56 N -0.94 2.24 -0.00 -3.70 1.01 -1.26 -4.47 121.20 114.07 1m9g s ILE 56 Ca 0.23 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 61.07 1m9g s ILE 56 Cb -0.12 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 1m9g s ILE 56 CO -0.10 0.03 -0.00 0.11 0.00 0.00 0.00 174.94 174.98 1m9g h LYS 57 N 5.28 0.00 0.00 2.79 1.79 -1.83 -3.44 116.57 121.15 1m9g h LYS 57 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1m9g h LYS 57 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1m9g h LYS 57 CO 0.82 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.60 1m9g n GLY 58 N 1.94 0.55 3.77 3.86 0.00 -1.23 -0.56 105.19 113.52 1m9g n GLY 58 Ca -0.00 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 3.22 -0.04 1.61 2.02 -1.21 -0.99 117.35 117.96 1m9g s TYR 59 Ca 0.00 1.59 0.02 0.00 -0.37 0.00 0.00 57.07 58.30 1m9g s TYR 59 Cb 0.00 -3.37 0.01 0.00 -0.40 0.00 0.00 41.96 38.21 1m9g s TYR 59 CO 0.00 -1.10 -0.08 -1.21 -1.57 0.00 0.00 175.55 171.60 1m9g s GLU 60 N -2.05 1.04 -0.10 -0.62 2.02 -0.09 -0.03 118.70 118.87 1m9g s GLU 60 Ca 0.53 -0.23 -0.05 0.00 0.02 0.00 0.00 54.97 55.24 1m9g s GLU 60 Cb -0.31 -0.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.92 1m9g s GLU 60 CO 0.39 0.01 0.09 0.71 0.02 0.00 0.00 175.26 176.48 1m9g s TYR 61 N 0.61 3.43 -0.25 1.61 2.02 -0.80 -0.87 117.35 123.11 1m9g s TYR 61 Ca -0.10 0.40 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 1m9g s TYR 61 Cb -0.13 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.61 1m9g s TYR 61 CO 0.01 0.64 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.36 1m9g s GLN 62 N -1.03 2.36 0.10 -0.62 0.74 0.01 -1.92 119.66 119.31 1m9g s GLN 62 Ca 0.15 -1.25 0.01 0.00 0.05 0.00 0.00 55.36 54.32 1m9g s GLN 62 Cb -0.12 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1m9g s GLN 62 CO 0.04 -0.51 -0.04 -0.48 -0.55 0.00 0.00 175.29 173.75 1m9g s LEU 63 N 1.14 2.40 -0.33 3.68 0.05 -1.15 -1.88 118.68 122.60 1m9g s LEU 63 Ca -0.06 -1.04 0.03 0.00 0.05 0.00 0.00 54.13 53.10 1m9g s LEU 63 Cb -0.19 -0.00 0.10 0.00 -2.05 0.00 0.00 46.19 44.05 1m9g s LEU 63 CO -0.06 -0.52 0.05 -0.31 -0.55 0.00 0.00 176.35 174.95 1m9g s TYR 64 N -3.70 3.37 -0.18 3.48 2.02 -1.26 -0.44 117.35 120.63 1m9g s TYR 64 Ca 0.14 -2.73 -0.26 0.00 -0.37 0.00 0.00 57.07 53.85 1m9g s TYR 64 Cb 0.06 -2.64 -0.01 0.00 -0.40 0.00 0.00 41.96 38.97 1m9g s TYR 64 CO -0.04 -0.93 0.86 0.54 -1.57 0.00 0.00 175.55 174.41 1m9g s VAL 65 N 1.04 4.85 -1.20 0.71 0.11 0.29 -1.28 120.40 124.93 1m9g s VAL 65 Ca 0.09 1.68 -0.06 0.00 -2.93 0.00 0.00 61.98 60.76 1m9g s VAL 65 Cb -0.19 -4.16 0.22 0.00 -1.53 0.00 0.00 36.38 30.72 1m9g s VAL 65 CO -0.11 -0.00 1.86 0.00 -3.33 0.00 0.00 175.10 173.52 1m9g n TYR 66 N 5.40 2.63 -3.97 1.54 9.36 0.58 -1.14 117.16 131.56 1m9g n TYR 66 Ca 0.05 -2.70 -0.36 0.00 3.32 0.00 0.00 57.90 58.22 1m9g n TYR 66 Cb 0.48 -1.64 -0.06 0.00 -0.63 0.00 0.00 39.34 37.49 1m9g n TYR 66 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1m9g s ALA 67 N -1.35 3.80 -1.40 2.98 0.00 -0.88 -4.08 121.76 120.83 1m9g s ALA 67 Ca 0.40 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1m9g s ALA 67 Cb 0.11 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1m9g s ALA 67 CO 0.00 0.65 0.00 0.45 0.00 0.00 0.00 175.76 176.86 1m9g n SER 68 N 1.72 -3.99 -2.67 0.00 2.88 -1.26 -0.30 113.62 110.00 1m9g n SER 68 Ca -0.17 0.27 -0.18 0.00 -1.33 0.00 0.00 58.87 57.46 1m9g n SER 68 Cb 0.54 -3.56 0.00 0.00 -0.75 0.00 0.00 64.21 60.44 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 -1.10 -4.80 -4.62 -3.46 2.03 -1.26 -5.00 116.55 98.34 1m9g n ASP 69 Ca -0.15 -0.03 -0.25 0.00 0.52 0.00 0.00 54.79 54.88 1m9g n ASP 69 Cb 0.53 -3.99 -0.08 0.00 -0.72 0.00 0.00 41.12 36.86 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 -5.30 2.23 -0.60 -0.67 3.01 0.58 -4.94 119.74 114.05 1m9g s LYS 70 Ca 0.11 -1.33 -0.18 0.00 -1.01 0.00 0.00 55.97 53.57 1m9g s LYS 70 Cb -0.05 -2.19 0.12 0.00 -1.01 0.00 0.00 37.83 34.70 1m9g s LYS 70 CO 0.14 0.40 0.67 -1.17 0.51 0.00 0.00 175.35 175.90 1m9g s LEU 71 N -3.29 5.64 -0.35 3.17 0.20 -1.01 -2.07 118.68 120.97 1m9g s LEU 71 Ca 0.29 -1.60 -0.16 0.00 0.69 0.00 0.00 54.13 53.35 1m9g s LEU 71 Cb -0.08 -2.28 -0.01 0.00 -0.43 0.00 0.00 46.19 43.40 1m9g s LEU 71 CO 0.18 -1.03 0.39 -0.36 -0.29 0.00 0.00 176.35 175.25 1m9g s PHE 72 N 2.30 3.20 -0.01 5.38 0.08 -0.29 -0.36 117.98 128.29 1m9g s PHE 72 Ca 0.10 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 1m9g s PHE 72 Cb -0.24 -2.73 -0.06 0.00 -0.57 0.00 0.00 43.02 39.42 1m9g s PHE 72 CO 0.04 -0.46 1.55 0.50 -0.10 0.00 0.00 175.22 176.75 1m9g s ARG 73 N 2.09 4.22 -0.30 0.44 3.52 -0.79 -0.55 118.95 127.58 1m9g s ARG 73 Ca 0.13 2.12 -0.03 0.00 -0.13 0.00 0.00 55.73 57.82 1m9g s ARG 73 Cb -0.16 -3.75 0.11 0.00 -1.56 0.00 0.00 34.95 29.59 1m9g s ARG 73 CO 0.12 -0.73 0.14 0.00 -0.81 0.00 0.00 175.30 174.02 1m9g s ALA 74 N 3.14 0.76 0.58 6.12 0.00 0.41 -0.04 121.76 132.75 1m9g s ALA 74 Ca 0.69 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1m9g s ALA 74 Cb -0.34 -1.45 0.09 0.00 0.00 0.00 0.00 23.12 21.43 1m9g s ALA 74 CO 0.28 -1.72 0.81 -0.51 0.00 0.00 0.00 175.76 174.62 1m9g s ASP 75 N 1.90 5.04 0.07 0.00 1.11 -1.12 -2.92 116.67 120.74 1m9g s ASP 75 Ca 0.10 -0.78 -0.05 0.00 0.18 0.00 0.00 52.55 52.00 1m9g s ASP 75 Cb -0.17 0.23 -0.02 0.00 1.07 0.00 0.00 42.92 44.03 1m9g s ASP 75 CO -0.30 -1.38 0.09 -0.63 1.18 0.00 0.00 175.17 174.13 1m9g s ILE 76 N -2.71 0.17 0.06 0.77 1.09 -0.81 -0.12 121.20 119.67 1m9g s ILE 76 Ca 0.62 -1.40 0.05 0.00 -1.10 0.00 0.00 60.65 58.82 1m9g s ILE 76 Cb -0.06 -1.34 -0.03 0.00 -1.06 0.00 0.00 42.46 39.97 1m9g s ILE 76 CO 0.39 -0.78 -0.14 -0.55 -0.10 0.00 0.00 174.94 173.77 1m9g s SER 77 N -2.78 1.64 0.20 3.58 0.15 -1.09 -1.91 113.70 113.50 1m9g s SER 77 Ca 0.04 -0.58 0.09 0.00 0.70 0.00 0.00 55.95 56.21 1m9g s SER 77 Cb 0.05 -0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1m9g s SER 77 CO -0.10 -0.06 -0.18 -1.61 1.20 0.00 0.00 173.24 172.50 1m9g s GLU 78 N -1.60 1.39 -0.57 5.44 2.02 0.96 -0.34 118.70 126.00 1m9g s GLU 78 Ca -0.02 -1.55 -0.22 0.00 0.02 0.00 0.00 54.97 53.21 1m9g s GLU 78 Cb -0.10 -1.40 0.06 0.00 0.10 0.00 0.00 34.13 32.80 1m9g s GLU 78 CO 0.02 0.27 0.83 0.34 0.02 0.00 0.00 175.26 176.73 1m9g s ASP 79 N -3.04 6.25 0.10 -0.19 2.15 -1.23 -3.33 116.67 117.39 1m9g s ASP 79 Ca 0.21 -0.77 -0.12 0.00 0.43 0.00 0.00 52.55 52.30 1m9g s ASP 79 Cb -0.04 -2.38 0.06 0.00 -0.30 0.00 0.00 42.92 40.26 1m9g s ASP 79 CO 0.09 -1.16 0.80 0.00 -0.17 0.00 0.00 175.17 174.72 1m9g n TYR 80 N 7.02 -0.09 -0.38 -5.34 9.36 0.28 -0.46 117.16 127.54 1m9g n TYR 80 Ca -0.03 0.64 0.34 0.00 3.32 0.00 0.00 57.90 62.17 1m9g n TYR 80 Cb 0.46 -0.63 0.57 0.00 -0.63 0.00 0.00 39.34 39.11 1m9g n TYR 80 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1m9g n LYS 81 N -4.72 -0.04 0.00 2.98 0.00 -1.26 -4.57 118.16 110.56 1m9g n LYS 81 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 58.31 59.45 1m9g n LYS 81 Cb 0.18 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.06 1m9g n LYS 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1m9g n THR 82 N -4.54 0.00 -2.65 3.15 -1.04 0.39 -5.09 114.28 104.50 1m9g n THR 82 Ca 0.35 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.33 1m9g n THR 82 Cb 1.32 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.84 1m9g n THR 82 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1m9g n ARG 83 N 0.00 0.02 -0.69 -2.82 1.74 -0.54 -4.84 116.66 109.53 1m9g n ARG 83 Ca 0.00 -0.52 -0.31 0.00 -0.77 0.00 0.00 57.85 56.26 1m9g n ARG 83 Cb 0.00 -0.01 0.27 0.00 -1.02 0.00 0.00 32.46 31.71 1m9g n ARG 83 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1m9g s GLY 84 N -0.02 1.49 -0.08 -0.13 0.00 -1.24 -4.74 107.32 102.60 1m9g s GLY 84 Ca 0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 1m9g s GLY 84 CO -0.08 0.02 0.15 -1.60 0.00 0.00 0.00 173.10 171.59 1m9g s ARG 85 N -5.32 0.02 -0.11 2.90 3.52 -1.26 -3.47 118.95 115.24 1m9g s ARG 85 Ca 0.70 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.84 1m9g s ARG 85 Cb -0.10 -0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 32.94 1m9g s ARG 85 CO 0.56 -0.32 -0.13 0.15 -0.81 0.00 0.00 175.30 174.76 1m9g s LYS 86 N 2.28 3.18 -0.53 5.12 -0.14 0.54 -5.00 119.74 125.19 1m9g s LYS 86 Ca 0.03 -0.67 -0.27 0.00 -1.36 0.00 0.00 55.97 53.71 1m9g s LYS 86 Cb -0.12 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 1m9g s LYS 86 CO -0.06 0.33 2.07 -1.17 -0.76 0.00 0.00 175.35 175.76 1m9g s LEU 87 N 0.06 3.36 -0.02 3.17 0.20 -1.26 -2.68 118.68 121.50 1m9g s LEU 87 Ca -0.05 0.76 0.08 0.00 0.69 0.00 0.00 54.13 55.62 1m9g s LEU 87 Cb -0.14 -2.65 0.23 0.00 -0.43 0.00 0.00 46.19 43.20 1m9g s LEU 87 CO 0.04 -2.49 1.19 -0.11 -0.29 0.00 0.00 176.35 174.69 1m9g n LEU 88 N 13.66 2.70 -4.76 -0.68 -0.00 -1.23 -4.97 117.00 121.72 1m9g n LEU 88 Ca 0.27 -2.13 -0.32 0.00 -0.00 0.00 0.00 56.01 53.83 1m9g n LEU 88 Cb 0.52 -0.20 0.08 0.00 -0.00 0.00 0.00 43.42 43.83 1m9g n LEU 88 CO 0.71 0.66 0.72 0.00 -0.00 0.00 0.00 177.39 179.47 1m9g s ARG 89 N -1.24 2.37 0.00 1.96 3.03 0.84 -2.79 118.95 123.11 1m9g s ARG 89 Ca 0.18 1.29 0.00 0.00 2.03 0.00 0.00 55.73 59.23 1m9g s ARG 89 Cb 0.11 -1.90 0.00 0.00 -1.03 0.00 0.00 34.95 32.13 1m9g s ARG 89 CO 0.10 -1.57 0.00 1.19 -1.13 0.00 0.00 175.30 173.88 1m9g n PHE 90 N -3.15 0.00 -4.14 5.89 3.72 -1.19 -4.81 117.46 113.78 1m9g n PHE 90 Ca 0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1m9g n PHE 90 Cb 0.52 -1.23 -0.09 0.00 -0.94 0.00 0.00 39.48 37.74 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 -0.72 0.11 0.00 4.37 2.47 0.94 -5.01 114.94 117.10 1m9g s ASN 91 Ca 0.00 -1.25 0.00 0.00 0.42 0.00 0.00 52.86 52.03 1m9g s ASN 91 Cb 0.00 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 1m9g s ASN 91 CO 0.00 -0.90 0.00 0.61 -3.72 0.00 0.00 177.10 173.09 1m9g n GLY 92 N -0.28 0.90 3.66 1.21 0.00 -1.26 -1.89 105.19 107.53 1m9g n GLY 92 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 0.33 -0.11 1.61 0.04 -1.26 -5.07 135.00 130.53 1m9g s PRO 93 Ca 0.00 0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.61 1m9g s PRO 93 Cb 0.00 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1m9g s PRO 93 CO 0.00 -2.81 -0.18 0.08 0.04 0.00 0.00 177.00 174.13 1m9g s VAL 94 N -2.92 2.59 0.70 -0.36 1.01 0.52 -4.96 120.40 116.97 1m9g s VAL 94 Ca 0.66 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1m9g s VAL 94 Cb -0.19 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1m9g s VAL 94 CO 0.58 0.54 1.08 -2.16 0.00 0.00 0.00 175.10 175.14 1m9g s PRO 95 N 0.31 2.78 0.72 2.72 0.04 -1.26 -2.39 135.00 137.91 1m9g s PRO 95 Ca -0.14 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 1m9g s PRO 95 Cb -0.17 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1m9g s PRO 95 CO 0.07 -1.24 1.17 -1.25 0.04 0.00 0.00 177.00 175.80 1m9g s PRO 96 N -4.69 2.28 0.00 0.56 0.04 -1.26 -4.80 135.00 127.13 1m9g s PRO 96 Ca 0.61 1.63 0.24 0.00 0.04 0.00 0.00 61.00 63.52 1m9g s PRO 96 Cb -0.16 -1.86 1.42 0.00 0.04 0.00 0.00 34.50 33.93 1m9g s PRO 96 CO 0.50 -1.70 1.79 -0.35 0.04 0.00 0.00 177.00 177.28