#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 0.02 0.00 -5.12 0.00 -1.26 -5.13 105.19 93.70 1m9g n GLY 2 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1m9g n GLY 2 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1m9g n GLU 3 N 0.00 0.00 -1.46 1.61 0.00 -1.26 -5.08 120.64 114.46 1m9g n GLU 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1m9g n GLU 3 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 31.44 31.52 1m9g n GLU 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1m9g s TRP 4 N -2.33 2.43 0.08 -1.84 0.52 -1.26 -4.40 118.94 112.13 1m9g s TRP 4 Ca 0.00 1.58 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1m9g s TRP 4 Cb 0.00 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.09 1m9g s TRP 4 CO 0.00 -1.96 -0.07 -1.21 0.02 0.00 0.00 176.95 173.72 1m9g s GLU 5 N -4.37 0.72 0.75 4.98 2.02 0.12 -4.98 118.70 117.95 1m9g s GLU 5 Ca 0.66 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 1m9g s GLU 5 Cb -0.21 -0.25 0.05 0.00 0.10 0.00 0.00 34.13 33.81 1m9g s GLU 5 CO 0.48 0.01 1.10 0.96 0.02 0.00 0.00 175.26 177.83 1m9g s ILE 6 N -2.76 3.30 -0.17 -1.63 -5.25 -1.26 -0.86 121.20 112.57 1m9g s ILE 6 Ca 0.04 0.46 -0.08 0.00 -0.99 0.00 0.00 60.65 60.07 1m9g s ILE 6 Cb -0.01 -2.94 -0.04 0.00 2.95 0.00 0.00 42.46 42.42 1m9g s ILE 6 CO -0.03 -0.52 0.10 -0.51 -1.79 0.00 0.00 174.94 172.19 1m9g s ILE 7 N -2.79 5.12 0.09 8.37 -1.16 -1.26 -4.60 121.20 124.98 1m9g s ILE 7 Ca 0.62 0.08 0.04 0.00 -0.51 0.00 0.00 60.65 60.88 1m9g s ILE 7 Cb -0.18 -3.30 -0.04 0.00 0.61 0.00 0.00 42.46 39.56 1m9g s ILE 7 CO 0.53 0.49 0.05 1.51 -2.81 0.00 0.00 174.94 174.71 1m9g s ASP 8 N 0.01 5.30 0.75 4.50 1.47 -1.26 -4.94 116.67 122.50 1m9g s ASP 8 Ca 0.08 -0.10 -0.11 0.00 1.18 0.00 0.00 52.55 53.60 1m9g s ASP 8 Cb -0.12 -1.35 0.04 0.00 -0.34 0.00 0.00 42.92 41.15 1m9g s ASP 8 CO 0.00 0.16 1.08 -0.63 0.68 0.00 0.00 175.17 176.47 1m9g s ILE 9 N -1.39 3.50 0.00 2.11 -1.09 -1.26 -4.18 121.20 118.89 1m9g s ILE 9 Ca 0.28 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 1m9g s ILE 9 Cb -0.12 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1m9g s ILE 9 CO 0.20 -0.64 0.00 0.61 -1.23 0.00 0.00 174.94 173.89 1m9g n GLY 10 N -2.20 0.51 2.52 6.18 0.00 -1.26 -4.81 105.19 106.12 1m9g n GLY 10 Ca 0.07 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 3.05 0.00 1.61 -0.04 -1.26 -3.69 135.00 134.67 1m9g n PRO 11 Ca 0.00 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1m9g n PRO 11 Cb 0.00 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 4.58 0.00 -0.15 0.54 -0.00 -1.26 -4.69 117.46 116.47 1m9g n PHE 12 Ca 0.64 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 58.03 1m9g n PHE 12 Cb 0.26 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.76 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 1.07 -0.03 -2.13 1.03 -1.73 0.33 112.91 111.45 1m9g h THR 13 Ca 0.00 -0.20 -0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1m9g h THR 13 Cb 0.00 0.44 -0.00 0.00 -1.07 0.00 0.00 68.15 67.52 1m9g h THR 13 CO 0.00 0.10 0.02 1.56 -0.01 0.00 0.00 175.52 177.19 1m9g h GLN 14 N 0.57 0.05 -0.22 0.00 7.50 -1.93 0.06 115.11 121.14 1m9g h GLN 14 Ca 0.18 -0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.38 1m9g h GLN 14 Cb -0.01 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 27.44 1m9g h GLN 14 CO -0.07 0.13 -0.28 -0.97 -1.50 0.00 0.00 178.83 176.13 1m9g h ASN 15 N -0.04 -0.90 -0.51 1.46 -0.73 -1.56 0.12 115.58 113.41 1m9g h ASN 15 Ca 0.01 0.15 -0.07 0.00 1.87 0.00 0.00 56.30 58.26 1m9g h ASN 15 Cb 0.10 0.41 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1m9g h ASN 15 CO -0.00 -0.31 0.05 -0.07 -0.37 0.00 0.00 177.43 176.73 1m9g h LEU 16 N -0.31 0.84 0.47 0.34 3.38 -0.94 0.16 115.31 119.26 1m9g h LEU 16 Ca 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1m9g h LEU 16 Cb 0.50 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1m9g h LEU 16 CO -0.39 0.91 -0.28 0.00 0.09 0.00 0.00 178.44 178.76 1m9g h ALA 17 N 0.96 -0.71 -0.12 1.53 0.00 -0.34 0.27 119.26 120.85 1m9g h ALA 17 Ca 0.15 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1m9g h ALA 17 Cb 0.45 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1m9g h ALA 17 CO 0.02 -0.91 -0.15 -0.22 0.00 0.00 0.00 179.25 177.98 1m9g h LYS 18 N -0.71 -0.18 -0.48 0.00 3.11 -0.74 -2.41 116.57 115.16 1m9g h LYS 18 Ca -0.05 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.89 1m9g h LYS 18 Cb 0.58 0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 31.75 1m9g h LYS 18 CO 0.06 -0.12 -0.34 0.35 -2.81 0.00 0.00 179.45 176.59 1m9g h PHE 19 N -0.19 -0.95 0.11 1.91 3.57 -0.49 0.22 116.94 121.12 1m9g h PHE 19 Ca 0.09 0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1m9g h PHE 19 Cb 0.32 0.49 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 1m9g h PHE 19 CO -0.26 -0.39 -0.44 0.00 -2.23 0.00 0.00 178.31 174.99 1m9g h ALA 20 N 0.82 -0.78 0.08 2.41 0.00 -0.54 0.18 119.26 121.44 1m9g h ALA 20 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1m9g h ALA 20 Cb 0.55 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1m9g h ALA 20 CO -0.60 -1.01 -0.04 0.28 0.00 0.00 0.00 179.25 177.88 1m9g h VAL 21 N -0.66 1.11 0.29 0.00 2.07 -0.97 -0.97 116.25 117.12 1m9g h VAL 21 Ca 0.02 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1m9g h VAL 21 Cb 0.69 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1m9g h VAL 21 CO -0.26 0.17 -0.22 -0.78 0.02 0.00 0.00 177.57 176.50 1m9g h ASP 22 N -0.42 -0.57 -0.54 0.57 3.58 -0.52 0.11 116.42 118.63 1m9g h ASP 22 Ca -0.01 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 1m9g h ASP 22 Cb 0.36 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1m9g h ASP 22 CO 0.02 -0.34 0.02 -0.08 -2.88 0.00 0.00 179.24 175.98 1m9g h GLU 23 N -0.51 0.94 -0.01 0.28 4.22 -0.70 0.14 114.58 118.93 1m9g h GLU 23 Ca -0.02 -0.29 0.03 0.00 0.08 0.00 0.00 59.36 59.16 1m9g h GLU 23 Cb 0.45 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1m9g h GLU 23 CO -0.01 0.94 -0.42 1.49 -2.18 0.00 0.00 179.01 178.83 1m9g h GLU 24 N 0.82 -0.55 -0.89 1.92 4.22 -1.03 -2.15 114.58 116.91 1m9g h GLU 24 Ca 0.16 0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.79 1m9g h GLU 24 Cb 0.50 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 1m9g h GLU 24 CO 0.02 -0.37 0.48 -0.91 -2.18 0.00 0.00 179.01 176.06 1m9g h ASN 25 N -0.57 0.60 -0.86 1.04 -0.26 0.27 0.48 115.58 116.28 1m9g h ASN 25 Ca 0.05 0.09 0.08 0.00 -0.56 0.00 0.00 56.30 55.96 1m9g h ASN 25 Cb 0.65 -0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 37.84 1m9g h ASN 25 CO -0.32 0.24 0.52 0.50 -1.06 0.00 0.00 177.43 177.31 1m9g h LYS 26 N 0.67 0.89 0.00 0.81 3.11 -0.36 -3.33 116.57 118.36 1m9g h LYS 26 Ca 0.49 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.25 1m9g h LYS 26 Cb 0.70 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1m9g h LYS 26 CO -0.36 0.59 -0.62 -0.89 -2.81 0.00 0.00 179.45 175.36 1m9g n ILE 27 N -4.66 1.43 -1.66 2.00 2.08 0.01 -5.05 119.36 113.52 1m9g n ILE 27 Ca 0.13 0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.63 1m9g n ILE 27 Cb 0.22 -2.36 0.00 0.00 -0.75 0.00 0.00 39.64 36.75 1m9g n ILE 27 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1m9g n GLY 28 N 1.59 0.93 0.00 7.39 0.00 0.15 -5.05 105.19 110.19 1m9g n GLY 28 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1m9g n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1m9g n GLN 29 N -0.37 0.00 -0.03 1.61 -0.06 -1.26 -4.74 117.38 112.53 1m9g n GLN 29 Ca 0.00 0.26 -0.21 0.00 -2.00 0.00 0.00 57.00 55.05 1m9g n GLN 29 Cb 0.34 -0.72 -0.13 0.00 -4.06 0.00 0.00 30.24 25.66 1m9g n GLN 29 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 1m9g h TYR 30 N 0.00 0.27 -0.60 3.69 -0.00 -1.97 -3.51 116.97 114.85 1m9g h TYR 30 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 58.73 58.53 1m9g h TYR 30 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 36.72 1m9g h TYR 30 CO 0.00 1.50 0.00 0.41 -0.00 0.00 0.00 178.16 180.07 1m9g n GLY 31 N 1.66 -0.36 1.92 0.10 0.00 -1.26 -4.86 105.19 102.39 1m9g n GLY 31 Ca -0.26 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 2.04 1.68 0.00 1.61 0.63 -1.26 -4.94 116.66 116.41 1m9g n ARG 32 Ca 0.00 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.20 1m9g n ARG 32 Cb 0.00 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1m9g n ARG 32 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1m9g n LEU 33 N 2.30 0.00 -4.38 6.15 7.99 -1.26 -4.56 117.00 123.24 1m9g n LEU 33 Ca 0.32 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 56.04 1m9g n LEU 33 Cb 0.78 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.96 1m9g n LEU 33 CO 0.10 0.00 -0.55 -0.89 -1.51 0.00 0.00 177.39 174.53 1m9g s THR 34 N 0.00 2.19 -0.88 -5.08 2.01 -1.26 -5.06 115.64 107.55 1m9g s THR 34 Ca 0.00 -1.78 -0.31 0.00 0.31 0.00 0.00 61.69 59.91 1m9g s THR 34 Cb 0.00 -1.95 -0.19 0.00 0.01 0.00 0.00 72.50 70.36 1m9g s THR 34 CO 0.00 0.03 2.62 0.49 -0.69 0.00 0.00 174.62 177.06 1m9g n PHE 35 N 0.82 0.74 0.00 4.92 3.01 -1.26 -4.68 117.46 121.01 1m9g n PHE 35 Ca -0.17 0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1m9g n PHE 35 Cb 0.54 -2.41 0.00 0.00 -0.01 0.00 0.00 39.48 37.59 1m9g n PHE 35 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1m9g n ASN 36 N 11.08 0.00 -3.53 4.37 0.23 -1.26 -5.10 115.26 121.05 1m9g n ASN 36 Ca 0.61 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.52 1m9g n ASN 36 Cb 0.10 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.75 1m9g n ASN 36 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1m9g s LYS 37 N 2.85 0.89 -0.13 -3.83 2.20 -1.26 -5.06 119.74 115.40 1m9g s LYS 37 Ca 0.00 0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 55.56 1m9g s LYS 37 Cb 0.00 0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 36.69 1m9g s LYS 37 CO 0.00 -0.30 0.35 0.54 -0.36 0.00 0.00 175.35 175.58 1m9g s VAL 38 N -1.59 5.25 0.65 4.02 0.11 -1.26 -0.98 120.40 126.59 1m9g s VAL 38 Ca -0.05 0.68 -0.15 0.00 -2.93 0.00 0.00 61.98 59.53 1m9g s VAL 38 Cb -0.00 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1m9g s VAL 38 CO 0.03 0.41 1.10 0.27 -3.33 0.00 0.00 175.10 173.58 1m9g s ILE 39 N 0.26 3.31 0.01 7.04 -5.25 -0.50 -4.94 121.20 121.13 1m9g s ILE 39 Ca 0.20 0.62 -0.07 0.00 -0.99 0.00 0.00 60.65 60.40 1m9g s ILE 39 Cb -0.14 -3.14 -0.00 0.00 2.95 0.00 0.00 42.46 42.13 1m9g s ILE 39 CO 0.07 -0.37 0.13 -0.13 -1.79 0.00 0.00 174.94 172.85 1m9g s ARG 40 N -4.07 0.53 0.61 0.37 0.52 -1.26 -4.48 118.95 111.17 1m9g s ARG 40 Ca 0.67 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 55.23 1m9g s ARG 40 Cb -0.20 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.46 1m9g s ARG 40 CO 0.41 -0.13 1.06 -1.25 0.02 0.00 0.00 175.30 175.41 1m9g s PRO 41 N -1.74 3.22 0.21 3.54 0.04 -1.26 -5.21 135.00 133.81 1m9g s PRO 41 Ca -0.12 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.16 1m9g s PRO 41 Cb -0.06 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1m9g s PRO 41 CO -0.00 -0.89 0.21 0.00 0.04 0.00 0.00 177.00 176.36 1m9g s MET 43 N -2.91 1.11 0.36 0.00 1.75 -0.89 -4.11 119.30 114.61 1m9g s MET 43 Ca 0.16 -0.33 0.05 0.00 -1.25 0.00 0.00 55.69 54.33 1m9g s MET 43 Cb -0.01 0.51 -0.07 0.00 2.84 0.00 0.00 34.83 38.10 1m9g s MET 43 CO 0.10 -0.43 0.04 -1.59 -0.65 0.00 0.00 175.02 172.49 1m9g s LYS 44 N -2.90 1.78 -0.14 4.11 -2.85 -0.04 -0.64 119.74 119.06 1m9g s LYS 44 Ca -0.03 -2.00 -0.09 0.00 -1.00 0.00 0.00 55.97 52.85 1m9g s LYS 44 Cb -0.00 -1.18 0.05 0.00 -2.06 0.00 0.00 37.83 34.64 1m9g s LYS 44 CO -0.05 -0.14 0.34 0.21 0.10 0.00 0.00 175.35 175.81 1m9g s LYS 45 N -3.82 0.34 -0.74 1.78 2.36 0.69 -0.70 119.74 119.65 1m9g s LYS 45 Ca 0.36 0.60 -0.26 0.00 -2.55 0.00 0.00 55.97 54.11 1m9g s LYS 45 Cb 0.09 0.03 0.02 0.00 -1.05 0.00 0.00 37.83 36.91 1m9g s LYS 45 CO 0.16 -0.12 1.47 -0.08 1.55 0.00 0.00 175.35 178.34 1m9g s THR 46 N 0.93 3.64 0.15 3.43 -1.32 -1.26 -0.34 115.64 120.86 1m9g s THR 46 Ca -0.06 0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 1m9g s THR 46 Cb -0.07 -4.65 -0.08 0.00 -1.51 0.00 0.00 72.50 66.20 1m9g s THR 46 CO -0.07 -1.59 1.27 -0.51 -2.21 0.00 0.00 174.62 171.51 1m9g s ILE 47 N 6.69 3.50 0.50 5.08 2.07 0.47 -4.84 121.20 134.68 1m9g s ILE 47 Ca 0.46 1.18 0.06 0.00 -1.41 0.00 0.00 60.65 60.94 1m9g s ILE 47 Cb -0.08 -3.75 0.04 0.00 0.13 0.00 0.00 42.46 38.79 1m9g s ILE 47 CO 0.13 0.15 0.69 -0.31 -1.91 0.00 0.00 174.94 173.69 1m9g s TYR 48 N 0.42 2.46 0.00 3.50 2.02 -1.26 -1.51 117.35 122.99 1m9g s TYR 48 Ca 0.57 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.85 1m9g s TYR 48 Cb -0.34 -2.47 -0.23 0.00 -0.40 0.00 0.00 41.96 38.52 1m9g s TYR 48 CO 0.34 -0.75 3.34 -0.85 -1.57 0.00 0.00 175.55 176.06 1m9g n GLU 49 N -2.10 1.82 -1.35 -0.62 0.00 -1.26 -4.41 120.64 112.71 1m9g n GLU 49 Ca 0.10 -0.84 -0.38 0.00 0.00 0.00 0.00 57.16 56.04 1m9g n GLU 49 Cb 0.60 -1.85 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 1m9g n GLU 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1m9g n ASN 50 N 2.37 5.31 -1.78 -1.84 2.85 -1.26 -3.81 115.26 117.10 1m9g n ASN 50 Ca 0.36 -2.65 -0.02 0.00 -0.11 0.00 0.00 54.58 52.17 1m9g n ASN 50 Cb 0.84 -1.45 0.02 0.00 1.24 0.00 0.00 39.78 40.43 1m9g n ASN 50 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1m9g n GLU 51 N 5.19 0.55 0.00 1.20 2.13 -1.26 -5.01 120.64 123.43 1m9g n GLU 51 Ca 0.59 -1.77 0.00 0.00 0.66 0.00 0.00 57.16 56.64 1m9g n GLU 51 Cb 0.30 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 31.99 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 -0.24 1.17 0.00 8.31 0.00 -1.25 -4.75 105.19 108.43 1m9g n GLY 52 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1m9g n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1m9g n PHE 53 N 0.00 0.00 0.00 1.61 3.72 -1.26 -5.14 117.46 116.38 1m9g n PHE 53 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1m9g n PHE 53 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1m9g n PHE 53 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1m9g n ARG 54 N 0.00 0.00 -2.96 -1.08 0.63 -1.26 -4.69 116.66 107.30 1m9g n ARG 54 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1m9g n ARG 54 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1m9g n ARG 54 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1m9g n GLU 55 N -0.95 1.07 -1.67 -0.14 2.13 -1.26 -4.77 120.64 115.05 1m9g n GLU 55 Ca 0.00 -2.00 -0.45 0.00 0.66 0.00 0.00 57.16 55.37 1m9g n GLU 55 Cb 0.00 0.27 -0.02 0.00 0.27 0.00 0.00 31.44 31.96 1m9g n GLU 55 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1m9g n ILE 56 N -1.15 1.07 0.04 6.31 2.08 -1.26 -4.17 119.36 122.28 1m9g n ILE 56 Ca -0.03 -0.27 -0.21 0.00 0.56 0.00 0.00 62.75 62.80 1m9g n ILE 56 Cb 0.36 -1.46 -0.14 0.00 -0.75 0.00 0.00 39.64 37.65 1m9g n ILE 56 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1m9g h LYS 57 N 3.98 0.29 0.00 0.38 1.63 -1.48 -3.47 116.57 117.91 1m9g h LYS 57 Ca -0.45 -0.50 0.00 0.00 -0.85 0.00 0.00 60.65 58.85 1m9g h LYS 57 Cb 1.28 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1m9g h LYS 57 CO 0.74 1.24 0.00 0.41 -3.45 0.00 0.00 179.45 178.39 1m9g n GLY 58 N 1.72 -1.18 3.23 5.01 0.00 -1.12 -4.34 105.19 108.51 1m9g n GLY 58 Ca -0.21 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.00 3.38 0.01 1.61 2.02 0.83 -0.39 117.35 121.80 1m9g s TYR 59 Ca 0.00 -1.72 -0.23 0.00 -0.37 0.00 0.00 57.07 54.75 1m9g s TYR 59 Cb 0.00 -2.96 -0.05 0.00 -0.40 0.00 0.00 41.96 38.55 1m9g s TYR 59 CO 0.00 -0.87 0.68 -1.21 -1.57 0.00 0.00 175.55 172.58 1m9g s GLU 60 N 1.36 4.41 -0.15 -0.62 2.02 0.54 -0.40 118.70 125.87 1m9g s GLU 60 Ca 0.03 0.90 -0.02 0.00 0.02 0.00 0.00 54.97 55.90 1m9g s GLU 60 Cb -0.23 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 1m9g s GLU 60 CO 0.01 0.28 -0.08 0.71 0.02 0.00 0.00 175.26 176.20 1m9g s TYR 61 N 0.04 2.94 -0.20 1.61 2.02 0.43 -0.22 117.35 123.96 1m9g s TYR 61 Ca 0.35 -0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 56.55 1m9g s TYR 61 Cb -0.19 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1m9g s TYR 61 CO 0.20 -0.12 -0.03 -1.14 -1.57 0.00 0.00 175.55 172.89 1m9g s GLN 62 N 0.39 3.52 0.24 -0.62 0.74 0.18 -0.75 119.66 123.38 1m9g s GLN 62 Ca -0.07 -0.57 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1m9g s GLN 62 Cb -0.15 -3.00 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 1m9g s GLN 62 CO 0.04 -0.02 0.10 -0.48 -0.55 0.00 0.00 175.29 174.38 1m9g s LEU 63 N 1.05 1.57 -0.25 3.68 0.05 -0.13 -2.10 118.68 122.54 1m9g s LEU 63 Ca 0.01 -1.38 -0.03 0.00 0.05 0.00 0.00 54.13 52.79 1m9g s LEU 63 Cb -0.15 0.09 0.08 0.00 -2.05 0.00 0.00 46.19 44.17 1m9g s LEU 63 CO 0.01 -0.74 0.09 -0.31 -0.55 0.00 0.00 176.35 174.84 1m9g s TYR 64 N -3.83 0.86 -0.21 3.48 2.02 -1.26 -0.84 117.35 117.57 1m9g s TYR 64 Ca 0.37 -1.03 -0.09 0.00 -0.37 0.00 0.00 57.07 55.96 1m9g s TYR 64 Cb 0.08 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1m9g s TYR 64 CO 0.13 -0.74 0.11 0.08 -1.57 0.00 0.00 175.55 173.56 1m9g s VAL 65 N 1.91 5.04 -0.60 0.71 1.01 -0.44 -1.41 120.40 126.62 1m9g s VAL 65 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1m9g s VAL 65 Cb -0.17 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1m9g s VAL 65 CO -0.22 0.40 2.75 0.00 0.00 0.00 0.00 175.10 178.03 1m9g n TYR 66 N 3.99 1.70 -3.20 5.22 9.36 -0.15 -1.01 117.16 133.07 1m9g n TYR 66 Ca -0.16 -2.09 -0.34 0.00 3.32 0.00 0.00 57.90 58.64 1m9g n TYR 66 Cb 0.52 -1.49 -0.06 0.00 -0.63 0.00 0.00 39.34 37.68 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 -1.43 3.41 -0.56 2.98 0.00 -0.91 -3.67 121.76 121.58 1m9g s ALA 67 Ca 0.59 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1m9g s ALA 67 Cb 0.34 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1m9g s ALA 67 CO -0.19 0.37 0.00 0.45 0.00 0.00 0.00 175.76 176.40 1m9g n SER 68 N 0.10 -2.40 -3.81 0.00 2.88 -1.26 -0.21 113.62 108.91 1m9g n SER 68 Ca 0.00 0.32 -0.27 0.00 -1.33 0.00 0.00 58.87 57.59 1m9g n SER 68 Cb 0.52 -2.16 0.03 0.00 -0.75 0.00 0.00 64.21 61.86 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 -1.41 -3.82 -4.16 -3.46 2.03 -1.24 -5.03 116.55 99.47 1m9g n ASP 69 Ca -0.07 -0.77 -0.14 0.00 0.52 0.00 0.00 54.79 54.33 1m9g n ASP 69 Cb 0.51 -4.06 -0.11 0.00 -0.72 0.00 0.00 41.12 36.74 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 -6.38 0.79 -0.67 -0.67 3.01 0.71 -4.99 119.74 111.53 1m9g s LYS 70 Ca 0.45 -1.10 -0.23 0.00 -1.01 0.00 0.00 55.97 54.07 1m9g s LYS 70 Cb -0.22 -0.47 0.07 0.00 -1.01 0.00 0.00 37.83 36.20 1m9g s LYS 70 CO 0.81 0.07 1.00 -0.51 0.51 0.00 0.00 175.35 177.23 1m9g s LEU 71 N -2.34 4.28 -0.50 3.17 2.01 -1.02 -2.14 118.68 122.14 1m9g s LEU 71 Ca 0.03 -0.96 -0.26 0.00 0.01 0.00 0.00 54.13 52.96 1m9g s LEU 71 Cb -0.03 -2.43 0.03 0.00 0.01 0.00 0.00 46.19 43.77 1m9g s LEU 71 CO -0.00 -1.48 0.99 -0.36 1.01 0.00 0.00 176.35 176.52 1m9g s PHE 72 N 4.21 2.84 0.21 0.29 0.08 -0.18 -0.87 117.98 124.56 1m9g s PHE 72 Ca 0.23 0.36 -0.31 0.00 0.12 0.00 0.00 56.93 57.34 1m9g s PHE 72 Cb -0.16 -4.13 -0.10 0.00 -0.57 0.00 0.00 43.02 38.06 1m9g s PHE 72 CO 0.10 -1.24 1.50 0.50 -0.10 0.00 0.00 175.22 175.99 1m9g s ARG 73 N 4.05 4.24 -0.11 0.44 3.52 -1.15 -1.33 118.95 128.60 1m9g s ARG 73 Ca 0.38 2.34 -0.04 0.00 -0.13 0.00 0.00 55.73 58.28 1m9g s ARG 73 Cb -0.10 -3.13 0.06 0.00 -1.56 0.00 0.00 34.95 30.22 1m9g s ARG 73 CO 0.26 -0.52 0.22 0.00 -0.81 0.00 0.00 175.30 174.46 1m9g s ALA 74 N 0.51 -0.41 0.23 6.12 0.00 -0.02 -0.37 121.76 127.81 1m9g s ALA 74 Ca 0.64 0.80 0.09 0.00 0.00 0.00 0.00 51.96 53.49 1m9g s ALA 74 Cb -0.43 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1m9g s ALA 74 CO 0.38 -0.59 -0.02 -0.51 0.00 0.00 0.00 175.76 175.02 1m9g s ASP 75 N 2.31 4.53 -0.03 0.00 1.11 -0.99 -0.95 116.67 122.64 1m9g s ASP 75 Ca 0.01 -0.58 0.01 0.00 0.18 0.00 0.00 52.55 52.18 1m9g s ASP 75 Cb -0.12 -0.85 0.01 0.00 1.07 0.00 0.00 42.92 43.03 1m9g s ASP 75 CO -0.07 0.04 -0.06 -0.63 1.18 0.00 0.00 175.17 175.63 1m9g s ILE 76 N -2.05 0.57 -0.39 0.77 1.09 0.07 -0.28 121.20 120.99 1m9g s ILE 76 Ca 0.29 -0.19 -0.12 0.00 -1.10 0.00 0.00 60.65 59.53 1m9g s ILE 76 Cb -0.08 -0.56 0.02 0.00 -1.06 0.00 0.00 42.46 40.79 1m9g s ILE 76 CO 0.19 0.21 0.24 -0.55 -0.10 0.00 0.00 174.94 174.93 1m9g s SER 77 N 0.62 5.86 0.29 3.58 0.15 -0.99 -0.43 113.70 122.77 1m9g s SER 77 Ca -0.08 -0.95 -0.01 0.00 0.70 0.00 0.00 55.95 55.60 1m9g s SER 77 Cb -0.12 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1m9g s SER 77 CO 0.00 -0.40 0.50 -1.61 1.20 0.00 0.00 173.24 172.93 1m9g s GLU 78 N 1.60 3.54 0.14 5.44 2.02 0.47 -0.58 118.70 131.32 1m9g s GLU 78 Ca 0.03 -0.25 -0.26 0.00 0.02 0.00 0.00 54.97 54.52 1m9g s GLU 78 Cb -0.19 -2.71 -0.07 0.00 0.10 0.00 0.00 34.13 31.25 1m9g s GLU 78 CO 0.08 0.25 0.80 0.34 0.02 0.00 0.00 175.26 176.75 1m9g s ASP 79 N -3.52 7.39 0.16 -0.19 -1.08 -1.15 -0.12 116.67 118.15 1m9g s ASP 79 Ca 0.41 1.64 -0.18 0.00 -0.52 0.00 0.00 52.55 53.89 1m9g s ASP 79 Cb -0.10 -2.51 0.06 0.00 -1.46 0.00 0.00 42.92 38.91 1m9g s ASP 79 CO 0.32 0.14 1.67 0.22 0.52 0.00 0.00 175.17 178.04 1m9g h TYR 80 N 4.68 -0.27 0.08 -5.34 3.20 -1.86 0.14 116.97 117.61 1m9g h TYR 80 Ca -0.46 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.19 1m9g h TYR 80 Cb 1.21 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 1m9g h TYR 80 CO 0.64 -0.18 -1.33 -0.22 -1.64 0.00 0.00 178.16 175.43 1m9g h LYS 81 N -0.05 0.18 0.00 1.82 3.11 -1.95 -3.41 116.57 116.27 1m9g h LYS 81 Ca 0.17 -0.30 -0.23 0.00 -2.81 0.00 0.00 60.65 57.48 1m9g h LYS 81 Cb 0.30 0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 1m9g h LYS 81 CO -0.37 1.14 -1.42 1.15 -2.81 0.00 0.00 179.45 177.14 1m9g h THR 82 N -0.47 0.88 -6.35 1.00 2.02 -1.95 -3.48 112.91 104.56 1m9g h THR 82 Ca -0.30 -2.56 -0.48 0.00 0.77 0.00 0.00 66.41 63.83 1m9g h THR 82 Cb 1.63 2.37 -0.05 0.00 -1.74 0.00 0.00 68.15 70.36 1m9g h THR 82 CO 0.00 0.50 -0.77 0.54 0.37 0.00 0.00 175.52 176.16 1m9g n ARG 83 N -3.06 -5.26 -1.01 6.66 3.00 0.47 -4.92 116.66 112.54 1m9g n ARG 83 Ca -0.11 0.57 -0.30 0.00 -0.01 0.00 0.00 57.85 58.01 1m9g n ARG 83 Cb 0.95 -5.43 0.23 0.00 0.00 0.00 0.00 32.46 28.21 1m9g n ARG 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1m9g s GLY 84 N -3.34 1.56 -0.07 -0.13 0.00 -1.26 -4.77 107.32 99.30 1m9g s GLY 84 Ca 0.65 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 1m9g s GLY 84 CO 0.84 0.05 0.06 0.50 0.00 0.00 0.00 173.10 174.55 1m9g s ARG 85 N -5.24 0.06 -0.02 2.90 3.00 -1.26 -2.95 118.95 115.44 1m9g s ARG 85 Ca 0.69 0.23 0.00 0.00 0.00 0.00 0.00 55.73 56.66 1m9g s ARG 85 Cb -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 34.95 33.92 1m9g s ARG 85 CO 0.57 -0.40 0.01 0.15 0.00 0.00 0.00 175.30 175.63 1m9g s LYS 86 N 2.13 2.86 -0.60 3.54 -0.14 0.25 -4.98 119.74 122.80 1m9g s LYS 86 Ca 0.04 -0.55 -0.27 0.00 -1.36 0.00 0.00 55.97 53.83 1m9g s LYS 86 Cb -0.13 -2.72 -0.00 0.00 -1.68 0.00 0.00 37.83 33.30 1m9g s LYS 86 CO -0.05 0.65 1.62 -1.17 -0.76 0.00 0.00 175.35 175.64 1m9g s LEU 87 N -1.40 3.32 -0.02 3.17 0.20 -1.26 -2.35 118.68 120.34 1m9g s LEU 87 Ca 0.18 0.26 0.03 0.00 0.69 0.00 0.00 54.13 55.29 1m9g s LEU 87 Cb -0.11 -2.77 0.06 0.00 -0.43 0.00 0.00 46.19 42.93 1m9g s LEU 87 CO 0.09 -2.02 1.04 0.18 -0.29 0.00 0.00 176.35 175.34 1m9g n LEU 88 N 10.98 2.12 -4.86 -0.68 7.99 -1.13 -4.97 117.00 126.45 1m9g n LEU 88 Ca 0.15 -2.12 -0.30 0.00 -0.01 0.00 0.00 56.01 53.72 1m9g n LEU 88 Cb 0.50 -0.07 0.06 0.00 -0.11 0.00 0.00 43.42 43.80 1m9g n LEU 88 CO 0.71 0.54 0.74 0.00 -1.51 0.00 0.00 177.39 177.87 1m9g s ARG 89 N -1.22 2.66 -0.31 3.23 1.70 0.62 -2.34 118.95 123.29 1m9g s ARG 89 Ca 0.05 0.53 -0.06 0.00 -0.47 0.00 0.00 55.73 55.78 1m9g s ARG 89 Cb 0.04 -1.99 0.01 0.00 -0.57 0.00 0.00 34.95 32.44 1m9g s ARG 89 CO 0.02 -1.19 0.23 1.19 -1.08 0.00 0.00 175.30 174.47 1m9g n PHE 90 N -3.12 -3.28 -4.19 5.89 3.72 -1.16 -4.78 117.46 110.54 1m9g n PHE 90 Ca 0.07 1.40 -0.12 0.00 -0.05 0.00 0.00 57.45 58.75 1m9g n PHE 90 Cb 0.57 -3.72 -0.10 0.00 -0.94 0.00 0.00 39.48 35.29 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 -1.85 0.14 0.30 4.37 3.84 0.51 -4.99 114.94 117.25 1m9g s ASN 91 Ca 0.10 -1.36 0.00 0.00 0.21 0.00 0.00 52.86 51.80 1m9g s ASN 91 Cb -0.03 0.39 0.00 0.00 -0.55 0.00 0.00 41.25 41.06 1m9g s ASN 91 CO 0.67 -0.86 0.00 0.61 -2.79 0.00 0.00 177.10 174.74 1m9g n GLY 92 N -0.28 1.26 3.69 1.21 0.00 -1.26 -2.94 105.19 106.87 1m9g n GLY 92 Ca 0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 1.11 -0.11 1.61 0.04 -1.26 -5.10 135.00 131.29 1m9g s PRO 93 Ca 0.00 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.09 1m9g s PRO 93 Cb 0.00 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1m9g s PRO 93 CO 0.00 -2.41 -0.14 0.08 0.04 0.00 0.00 177.00 174.57 1m9g s VAL 94 N -2.81 2.98 0.69 -0.36 1.01 -0.05 -4.99 120.40 116.87 1m9g s VAL 94 Ca 0.64 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1m9g s VAL 94 Cb -0.20 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1m9g s VAL 94 CO 0.58 0.54 1.08 -2.16 0.00 0.00 0.00 175.10 175.15 1m9g s PRO 95 N 0.07 2.77 0.20 2.72 0.04 -1.26 -2.42 135.00 137.12 1m9g s PRO 95 Ca -0.06 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 1m9g s PRO 95 Cb -0.15 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1m9g s PRO 95 CO 0.05 -1.24 1.58 -1.25 0.04 0.00 0.00 177.00 176.17 1m9g s PRO 96 N -4.54 4.19 0.00 0.56 0.04 -1.26 -4.81 135.00 129.19 1m9g s PRO 96 Ca 0.63 2.42 0.17 0.00 0.04 0.00 0.00 61.00 64.26 1m9g s PRO 96 Cb -0.17 -3.12 1.01 0.00 0.04 0.00 0.00 34.50 32.27 1m9g s PRO 96 CO 0.48 -0.61 1.42 -0.35 0.04 0.00 0.00 177.00 177.98