#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 1.68 0.19 3.03 0.00 -1.26 -3.96 107.32 107.00 1m9g s GLY 2 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1m9g s GLY 2 CO 0.00 0.81 0.00 -2.21 0.00 0.00 0.00 173.10 171.70 1m9g n GLU 3 N -3.97 -1.65 -2.64 2.90 2.13 -1.26 -4.90 120.64 111.25 1m9g n GLU 3 Ca 0.10 1.09 -0.28 0.00 0.66 0.00 0.00 57.16 58.72 1m9g n GLU 3 Cb 0.53 -2.01 -0.01 0.00 0.27 0.00 0.00 31.44 30.22 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 -1.65 3.54 0.14 4.31 0.52 -1.26 -4.12 118.94 120.41 1m9g s TRP 4 Ca 0.00 0.91 -0.02 0.00 0.02 0.00 0.00 56.10 57.01 1m9g s TRP 4 Cb 0.00 -2.37 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1m9g s TRP 4 CO 0.00 -0.26 0.08 -1.21 0.02 0.00 0.00 176.95 175.58 1m9g s GLU 5 N -4.53 0.96 0.19 4.98 0.41 0.56 -4.97 118.70 116.29 1m9g s GLU 5 Ca 0.49 -1.42 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 1m9g s GLU 5 Cb -0.10 0.25 -0.08 0.00 -1.78 0.00 0.00 34.13 32.42 1m9g s GLU 5 CO 0.42 -0.28 1.06 0.42 -0.49 0.00 0.00 175.26 176.39 1m9g s ILE 6 N -4.05 3.95 0.28 -1.63 1.01 -1.26 -0.93 121.20 118.58 1m9g s ILE 6 Ca 0.24 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.33 1m9g s ILE 6 Cb 0.07 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1m9g s ILE 6 CO 0.02 0.32 1.32 -0.51 0.00 0.00 0.00 174.94 176.09 1m9g s ILE 7 N -0.42 2.88 0.44 2.92 2.07 -1.24 -4.76 121.20 123.09 1m9g s ILE 7 Ca 0.47 0.81 0.04 0.00 -1.41 0.00 0.00 60.65 60.57 1m9g s ILE 7 Cb -0.28 -3.52 0.01 0.00 0.13 0.00 0.00 42.46 38.80 1m9g s ILE 7 CO 0.34 0.16 0.62 -0.62 -1.91 0.00 0.00 174.94 173.53 1m9g s ASP 8 N -0.14 5.68 0.68 4.50 -1.08 -1.26 -4.94 116.67 120.11 1m9g s ASP 8 Ca 0.53 -0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 52.42 1m9g s ASP 8 Cb -0.39 -1.04 0.08 0.00 -1.46 0.00 0.00 42.92 40.12 1m9g s ASP 8 CO 0.47 -0.76 0.95 -0.63 0.52 0.00 0.00 175.17 175.71 1m9g s ILE 9 N -2.45 2.34 0.00 4.11 -1.09 -1.26 -2.07 121.20 120.77 1m9g s ILE 9 Ca 0.52 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 1m9g s ILE 9 Cb -0.10 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1m9g s ILE 9 CO 0.35 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1m9g n GLY 10 N -2.76 2.73 2.46 6.18 0.00 -1.26 -4.02 105.19 108.52 1m9g n GLY 10 Ca 0.11 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 12.99 3.02 0.00 1.61 -0.04 -1.26 -2.61 135.00 148.71 1m9g n PRO 11 Ca 0.00 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 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 4.06 0.00 -0.04 0.54 -0.00 -1.26 -4.79 117.46 115.98 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 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.66 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 0.94 -0.44 -2.13 1.03 -1.52 -0.56 112.91 110.23 1m9g h THR 13 Ca 0.00 -0.05 -0.10 0.00 -0.01 0.00 0.00 66.41 66.25 1m9g h THR 13 Cb 0.00 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 67.84 1m9g h THR 13 CO 0.00 0.03 -0.10 1.56 -0.01 0.00 0.00 175.52 176.99 1m9g h GLN 14 N 0.15 0.84 -0.20 0.00 7.50 -1.79 -0.32 115.11 121.29 1m9g h GLN 14 Ca 0.09 -0.32 0.05 0.00 0.50 0.00 0.00 58.65 58.97 1m9g h GLN 14 Cb 0.06 -0.05 -0.06 0.00 0.05 0.00 0.00 27.48 27.49 1m9g h GLN 14 CO -0.10 0.95 -0.19 -0.97 -1.50 0.00 0.00 178.83 177.02 1m9g h ASN 15 N 0.67 -0.60 -0.25 1.46 -0.73 -1.43 0.12 115.58 114.82 1m9g h ASN 15 Ca 0.11 0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.38 1m9g h ASN 15 Cb 0.64 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.51 1m9g h ASN 15 CO 0.04 -0.23 0.08 -0.07 -0.37 0.00 0.00 177.43 176.88 1m9g h LEU 16 N -0.20 0.36 -0.24 0.34 3.38 -0.94 0.14 115.31 118.15 1m9g h LEU 16 Ca 0.12 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1m9g h LEU 16 Cb 0.39 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1m9g h LEU 16 CO -0.32 0.46 -0.13 0.00 0.09 0.00 0.00 178.44 178.54 1m9g h ALA 17 N 0.91 0.05 0.13 1.53 0.00 -0.69 0.11 119.26 121.31 1m9g h ALA 17 Ca 0.08 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1m9g h ALA 17 Cb 0.23 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1m9g h ALA 17 CO -0.00 -0.55 -0.20 0.87 0.00 0.00 0.00 179.25 179.37 1m9g h LYS 18 N -0.11 -0.37 -0.69 0.00 1.79 -0.60 -2.74 116.57 113.85 1m9g h LYS 18 Ca 0.13 0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.77 1m9g h LYS 18 Cb 0.31 0.08 -0.12 0.00 -1.58 0.00 0.00 32.23 30.92 1m9g h LYS 18 CO -0.31 -0.25 -0.08 0.35 -1.08 0.00 0.00 179.45 178.09 1m9g h PHE 19 N -0.39 -0.19 -0.25 -1.35 3.57 -0.11 0.31 116.94 118.53 1m9g h PHE 19 Ca 0.02 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1m9g h PHE 19 Cb 0.40 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 1m9g h PHE 19 CO -0.18 -0.25 -0.55 0.00 -2.23 0.00 0.00 178.31 175.10 1m9g h ALA 20 N 1.66 -0.84 0.48 2.41 0.00 -0.69 0.20 119.26 122.48 1m9g h ALA 20 Ca 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1m9g h ALA 20 Cb 0.58 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1m9g h ALA 20 CO -0.65 -1.08 -0.23 0.28 0.00 0.00 0.00 179.25 177.57 1m9g h VAL 21 N -0.51 0.06 -0.56 0.00 2.07 -0.95 -1.63 116.25 114.74 1m9g h VAL 21 Ca 0.05 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1m9g h VAL 21 Cb 0.65 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 1m9g h VAL 21 CO -0.50 0.01 -0.44 -0.78 0.02 0.00 0.00 177.57 175.88 1m9g h ASP 22 N -1.15 -1.50 -0.16 0.57 3.58 -0.50 0.11 116.42 117.37 1m9g h ASP 22 Ca -0.07 0.24 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 1m9g h ASP 22 Cb 0.52 0.68 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 1m9g h ASP 22 CO 0.11 -0.34 -0.16 -0.08 -2.88 0.00 0.00 179.24 175.89 1m9g h GLU 23 N -0.24 0.40 -0.12 0.28 4.81 -0.67 0.75 114.58 119.79 1m9g h GLU 23 Ca 0.17 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1m9g h GLU 23 Cb 0.57 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1m9g h GLU 23 CO -0.67 0.77 -0.47 1.49 -0.73 0.00 0.00 179.01 179.39 1m9g h GLU 24 N 0.04 -0.53 -0.86 1.92 4.22 -1.06 -2.16 114.58 116.15 1m9g h GLU 24 Ca 0.03 0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.63 1m9g h GLU 24 Cb 0.70 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 1m9g h GLU 24 CO 0.04 -0.35 0.46 -0.91 -2.18 0.00 0.00 179.01 176.07 1m9g h ASN 25 N -0.55 0.60 -0.37 1.04 -0.26 -0.42 0.52 115.58 116.15 1m9g h ASN 25 Ca 0.06 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1m9g h ASN 25 Cb 0.66 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 1m9g h ASN 25 CO -0.41 0.29 0.24 0.50 -1.06 0.00 0.00 177.43 176.98 1m9g h LYS 26 N 0.70 0.50 0.00 0.81 3.11 -0.24 -3.35 116.57 118.09 1m9g h LYS 26 Ca 0.45 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1m9g h LYS 26 Cb 0.57 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1m9g h LYS 26 CO -0.32 0.34 -0.70 -0.89 -2.81 0.00 0.00 179.45 175.07 1m9g n ILE 27 N -4.47 1.13 -0.63 2.00 -0.00 -0.40 -5.06 119.36 111.93 1m9g n ILE 27 Ca 0.03 0.23 0.00 0.00 -0.00 0.00 0.00 62.75 63.01 1m9g n ILE 27 Cb 0.07 -2.09 0.00 0.00 -0.00 0.00 0.00 39.64 37.62 1m9g n ILE 27 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1m9g n GLY 28 N 1.65 1.19 0.23 7.39 0.00 0.17 -5.01 105.19 110.81 1m9g n GLY 28 Ca -0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1m9g n GLY 28 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1m9g h GLN 29 N 0.00 0.50 0.00 1.61 4.20 -1.95 -3.42 115.11 116.05 1m9g h GLN 29 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1m9g h GLN 29 Cb 0.25 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1m9g h GLN 29 CO 0.00 0.77 -0.09 2.48 -0.67 0.00 0.00 178.83 181.32 1m9g n TYR 30 N -4.07 -0.86 0.00 2.96 4.11 -1.26 -5.17 117.16 112.88 1m9g n TYR 30 Ca -0.01 0.15 0.00 0.00 -0.00 0.00 0.00 57.90 58.04 1m9g n TYR 30 Cb 0.47 0.22 0.00 0.00 -0.00 0.00 0.00 39.34 40.03 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 2.69 2.44 2.10 -7.48 0.00 -1.26 -4.87 105.19 98.81 1m9g n GLY 31 Ca 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 1.65 1.61 0.00 1.61 0.00 -1.26 -4.94 116.66 115.33 1m9g n ARG 32 Ca 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 57.85 57.04 1m9g n ARG 32 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 30.55 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 2.60 0.00 -4.33 6.15 7.99 -1.26 -3.63 117.00 124.52 1m9g n LEU 33 Ca 0.35 0.00 -0.46 0.00 -0.01 0.00 0.00 56.01 55.88 1m9g n LEU 33 Cb 0.74 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 44.01 1m9g n LEU 33 CO 0.15 -0.03 0.31 -0.89 -1.51 0.00 0.00 177.39 175.42 1m9g s THR 34 N 0.00 5.33 0.00 -5.08 2.01 -1.26 -4.93 115.64 111.71 1m9g s THR 34 Ca 0.00 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.14 1m9g s THR 34 Cb 0.00 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1m9g s THR 34 CO 0.00 -0.98 0.00 0.49 -0.69 0.00 0.00 174.62 173.44 1m9g n PHE 35 N 4.86 0.00 0.00 4.92 3.01 -1.24 -4.84 117.46 124.17 1m9g n PHE 35 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1m9g n PHE 35 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.80 0.00 -3.55 4.37 0.23 -1.26 -5.12 115.26 110.73 1m9g n ASN 36 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1m9g n ASN 36 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 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 2.73 0.70 -0.10 -3.83 2.20 -1.26 -5.06 119.74 115.12 1m9g s LYS 37 Ca 0.00 0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 55.62 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 -0.24 0.07 0.54 -0.36 0.00 0.00 175.35 175.36 1m9g s VAL 38 N -1.61 4.90 0.84 4.02 0.11 -1.26 -0.61 120.40 126.79 1m9g s VAL 38 Ca -0.01 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 1m9g s VAL 38 Cb -0.01 -3.11 0.10 0.00 -1.53 0.00 0.00 36.38 31.83 1m9g s VAL 38 CO -0.00 0.60 1.11 0.27 -3.33 0.00 0.00 175.10 173.75 1m9g s ILE 39 N -0.97 2.68 0.11 7.04 -5.25 -0.66 -4.92 121.20 119.24 1m9g s ILE 39 Ca 0.15 0.22 -0.20 0.00 -0.99 0.00 0.00 60.65 59.83 1m9g s ILE 39 Cb -0.12 -2.96 0.05 0.00 2.95 0.00 0.00 42.46 42.38 1m9g s ILE 39 CO 0.04 -0.29 0.49 -0.13 -1.79 0.00 0.00 174.94 173.25 1m9g s ARG 40 N -5.19 1.10 0.96 0.37 0.52 -1.26 -4.68 118.95 110.77 1m9g s ARG 40 Ca 0.62 -0.49 -0.12 0.00 -0.52 0.00 0.00 55.73 55.22 1m9g s ARG 40 Cb -0.15 0.50 0.16 0.00 0.52 0.00 0.00 34.95 35.98 1m9g s ARG 40 CO 0.54 -0.43 1.09 -1.25 0.02 0.00 0.00 175.30 175.27 1m9g s PRO 41 N -3.31 0.77 0.13 3.54 0.04 -1.26 -5.21 135.00 129.70 1m9g s PRO 41 Ca -0.00 0.63 0.01 0.00 0.04 0.00 0.00 61.00 61.68 1m9g s PRO 41 Cb 0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1m9g s PRO 41 CO -0.09 -2.53 0.05 0.00 0.04 0.00 0.00 177.00 174.48 1m9g s MET 43 N -2.50 0.87 0.27 0.00 1.75 -1.08 -3.71 119.30 114.89 1m9g s MET 43 Ca 0.08 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 53.94 1m9g s MET 43 Cb 0.00 0.37 -0.04 0.00 2.84 0.00 0.00 34.83 38.01 1m9g s MET 43 CO 0.05 -0.29 0.20 -1.59 -0.65 0.00 0.00 175.02 172.74 1m9g s LYS 44 N -2.98 1.49 0.30 4.11 -2.85 -0.10 -0.77 119.74 118.94 1m9g s LYS 44 Ca -0.02 -1.83 -0.19 0.00 -1.00 0.00 0.00 55.97 52.93 1m9g s LYS 44 Cb 0.01 0.26 0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1m9g s LYS 44 CO -0.06 -0.51 0.85 -1.59 0.10 0.00 0.00 175.35 174.14 1m9g s LYS 45 N -3.81 1.85 -0.37 1.78 -2.85 0.16 -0.32 119.74 116.18 1m9g s LYS 45 Ca 0.40 -1.15 -0.17 0.00 -1.00 0.00 0.00 55.97 54.05 1m9g s LYS 45 Cb 0.05 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 1m9g s LYS 45 CO 0.20 -0.86 0.42 -0.08 0.10 0.00 0.00 175.35 175.13 1m9g s THR 46 N -2.68 5.10 0.24 3.79 -1.32 -1.25 -0.33 115.64 119.19 1m9g s THR 46 Ca 0.16 -0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 1m9g s THR 46 Cb -0.04 -3.93 -0.09 0.00 -1.51 0.00 0.00 72.50 66.92 1m9g s THR 46 CO 0.08 -0.24 1.29 -0.51 -2.21 0.00 0.00 174.62 173.03 1m9g s ILE 47 N 2.15 3.09 0.00 5.08 2.07 0.05 -4.89 121.20 128.76 1m9g s ILE 47 Ca 0.13 0.97 0.00 0.00 -1.41 0.00 0.00 60.65 60.34 1m9g s ILE 47 Cb -0.16 -3.62 0.00 0.00 0.13 0.00 0.00 42.46 38.81 1m9g s ILE 47 CO 0.13 0.18 0.00 -1.22 -1.91 0.00 0.00 174.94 172.12 1m9g n TYR 48 N 1.98 -0.40 -2.93 3.50 4.02 -1.26 -2.66 117.16 119.41 1m9g n TYR 48 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.95 1m9g n TYR 48 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 1m9g n TYR 48 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1m9g s GLU 49 N -0.04 0.29 0.61 -0.72 2.02 -1.26 -4.66 118.70 114.93 1m9g s GLU 49 Ca 0.00 -0.03 -0.19 0.00 0.02 0.00 0.00 54.97 54.77 1m9g s GLU 49 Cb 0.00 0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.26 1m9g s GLU 49 CO 0.00 -0.44 1.32 0.54 0.02 0.00 0.00 175.26 176.70 1m9g s ASN 50 N 2.17 4.85 0.08 -0.19 4.22 -1.26 -4.21 114.94 120.61 1m9g s ASN 50 Ca 0.17 2.67 0.00 0.00 -2.14 0.00 0.00 52.86 53.56 1m9g s ASN 50 Cb 0.00 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.91 1m9g s ASN 50 CO -0.16 -1.84 0.00 1.21 -2.04 0.00 0.00 177.10 174.27 1m9g n GLU 51 N -1.58 -0.24 -3.89 3.55 0.00 -1.26 -4.87 120.64 112.35 1m9g n GLU 51 Ca 0.14 0.16 -0.30 0.00 0.00 0.00 0.00 57.16 57.16 1m9g n GLU 51 Cb 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 31.44 31.62 1m9g n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1m9g n GLY 52 N -0.87 -0.53 2.20 8.31 0.00 -1.26 -0.46 105.19 112.57 1m9g n GLY 52 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.40 -0.64 -3.97 1.61 3.01 -1.26 -3.38 117.46 108.43 1m9g n PHE 53 Ca -0.22 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.91 1m9g n PHE 53 Cb 0.64 -2.80 -0.00 0.00 -0.01 0.00 0.00 39.48 37.31 1m9g n PHE 53 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1m9g n ARG 54 N -2.23 -0.52 -1.54 -1.08 0.00 0.39 -4.81 116.66 106.88 1m9g n ARG 54 Ca -0.15 -0.07 -0.37 0.00 -0.00 0.00 0.00 57.85 57.25 1m9g n ARG 54 Cb 0.52 -1.72 -0.06 0.00 -0.00 0.00 0.00 32.46 31.20 1m9g n ARG 54 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1m9g n GLU 55 N -3.92 0.80 -1.62 2.89 2.13 -1.22 -4.88 120.64 114.82 1m9g n GLU 55 Ca -0.11 0.00 -0.50 0.00 0.66 0.00 0.00 57.16 57.21 1m9g n GLU 55 Cb 0.43 -2.98 -0.05 0.00 0.27 0.00 0.00 31.44 29.11 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 7.88 0.01 -0.06 6.31 5.41 -1.26 -4.55 119.36 133.10 1m9g n ILE 56 Ca 0.44 -0.00 -0.14 0.00 1.00 0.00 0.00 62.75 64.05 1m9g n ILE 56 Cb 0.42 -1.05 -0.12 0.00 -0.71 0.00 0.00 39.64 38.18 1m9g n ILE 56 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1m9g h LYS 57 N 5.06 -0.00 0.00 0.38 1.79 -1.78 -3.43 116.57 118.59 1m9g h LYS 57 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1m9g h LYS 57 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1m9g h LYS 57 CO 0.81 0.92 0.00 0.41 -1.08 0.00 0.00 179.45 180.52 1m9g n GLY 58 N 1.45 -0.16 3.83 3.86 0.00 -1.21 -1.14 105.19 111.81 1m9g n GLY 58 Ca -0.10 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.80 3.43 -0.06 1.61 2.02 -1.26 -0.77 117.35 118.52 1m9g s TYR 59 Ca 0.00 1.44 0.05 0.00 -0.37 0.00 0.00 57.07 58.19 1m9g s TYR 59 Cb 0.00 -2.70 -0.01 0.00 -0.40 0.00 0.00 41.96 38.85 1m9g s TYR 59 CO 0.00 0.07 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.63 1m9g s GLU 60 N -2.79 2.27 -0.20 -0.62 2.02 0.55 -0.09 118.70 119.83 1m9g s GLU 60 Ca 0.55 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 1m9g s GLU 60 Cb -0.12 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 1m9g s GLU 60 CO 0.17 0.29 -0.04 0.71 0.02 0.00 0.00 175.26 176.41 1m9g s TYR 61 N 0.00 2.96 -0.23 1.61 2.02 0.47 -0.66 117.35 123.53 1m9g s TYR 61 Ca -0.06 -0.78 -0.05 0.00 -0.37 0.00 0.00 57.07 55.82 1m9g s TYR 61 Cb -0.13 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 1m9g s TYR 61 CO 0.04 -0.43 -0.02 -1.14 -1.57 0.00 0.00 175.55 172.43 1m9g s GLN 62 N 1.22 3.45 0.17 -0.62 -0.44 0.05 -0.69 119.66 122.79 1m9g s GLN 62 Ca 0.03 -0.59 0.00 0.00 -2.50 0.00 0.00 55.36 52.30 1m9g s GLN 62 Cb -0.14 -3.09 -0.04 0.00 -1.64 0.00 0.00 33.01 28.10 1m9g s GLN 62 CO -0.01 -0.19 0.05 -0.48 0.50 0.00 0.00 175.29 175.15 1m9g s LEU 63 N 1.51 1.83 -0.24 3.68 0.05 -0.04 -2.63 118.68 122.83 1m9g s LEU 63 Ca 0.06 -1.23 -0.00 0.00 0.05 0.00 0.00 54.13 53.00 1m9g s LEU 63 Cb -0.14 0.14 0.07 0.00 -2.05 0.00 0.00 46.19 44.21 1m9g s LEU 63 CO -0.02 -0.68 -0.00 -0.31 -0.55 0.00 0.00 176.35 174.79 1m9g s TYR 64 N -3.88 2.00 -0.22 3.48 2.02 -1.26 -0.77 117.35 118.71 1m9g s TYR 64 Ca 0.27 -1.58 -0.14 0.00 -0.37 0.00 0.00 57.07 55.25 1m9g s TYR 64 Cb 0.07 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1m9g s TYR 64 CO 0.05 -0.76 0.30 0.08 -1.57 0.00 0.00 175.55 173.65 1m9g s VAL 65 N 1.53 5.27 -0.82 0.71 1.01 0.10 -1.65 120.40 126.54 1m9g s VAL 65 Ca -0.01 0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1m9g s VAL 65 Cb -0.18 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1m9g s VAL 65 CO -0.10 0.29 2.93 0.00 0.00 0.00 0.00 175.10 178.22 1m9g n TYR 66 N 4.42 1.64 -3.28 5.22 9.36 0.22 -0.66 117.16 134.08 1m9g n TYR 66 Ca -0.11 -2.31 -0.36 0.00 3.32 0.00 0.00 57.90 58.43 1m9g n TYR 66 Cb 0.51 -1.80 -0.06 0.00 -0.63 0.00 0.00 39.34 37.37 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 -0.06 3.54 -1.44 2.98 0.00 -0.63 -3.54 121.76 122.61 1m9g s ALA 67 Ca 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1m9g s ALA 67 Cb 0.27 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1m9g s ALA 67 CO -0.10 0.41 0.00 0.45 0.00 0.00 0.00 175.76 176.52 1m9g n SER 68 N 1.01 -3.95 -3.23 0.00 2.88 -1.26 -0.28 113.62 108.78 1m9g n SER 68 Ca -0.06 0.34 -0.23 0.00 -1.33 0.00 0.00 58.87 57.58 1m9g n SER 68 Cb 0.51 -3.52 0.04 0.00 -0.75 0.00 0.00 64.21 60.49 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 -0.62 -5.87 -4.30 -3.46 2.03 -1.23 -5.03 116.55 98.07 1m9g n ASP 69 Ca -0.14 -0.38 -0.16 0.00 0.52 0.00 0.00 54.79 54.63 1m9g n ASP 69 Cb 0.48 -4.72 -0.10 0.00 -0.72 0.00 0.00 41.12 36.06 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 -5.92 1.22 -0.76 -0.67 3.01 0.61 -5.00 119.74 112.23 1m9g s LYS 70 Ca 0.39 -1.57 -0.21 0.00 -1.01 0.00 0.00 55.97 53.58 1m9g s LYS 70 Cb -0.18 -0.71 0.10 0.00 -1.01 0.00 0.00 37.83 36.03 1m9g s LYS 70 CO 0.49 0.02 1.00 -0.51 0.51 0.00 0.00 175.35 176.86 1m9g s LEU 71 N -3.25 4.78 -0.43 3.17 2.01 -1.08 -1.61 118.68 122.27 1m9g s LEU 71 Ca 0.22 -1.47 -0.28 0.00 0.01 0.00 0.00 54.13 52.61 1m9g s LEU 71 Cb 0.03 -2.40 0.03 0.00 0.01 0.00 0.00 46.19 43.86 1m9g s LEU 71 CO 0.05 -1.25 1.08 -0.36 1.01 0.00 0.00 176.35 176.88 1m9g s PHE 72 N 3.34 2.92 0.32 0.29 0.40 0.16 -0.61 117.98 124.80 1m9g s PHE 72 Ca 0.25 0.78 -0.29 0.00 -0.60 0.00 0.00 56.93 57.07 1m9g s PHE 72 Cb -0.13 -4.16 -0.10 0.00 0.51 0.00 0.00 43.02 39.14 1m9g s PHE 72 CO 0.02 -1.11 1.36 0.50 0.70 0.00 0.00 175.22 176.69 1m9g s ARG 73 N 4.12 4.30 -0.07 0.44 3.52 -0.83 -0.72 118.95 129.71 1m9g s ARG 73 Ca 0.45 2.29 -0.03 0.00 -0.13 0.00 0.00 55.73 58.31 1m9g s ARG 73 Cb -0.09 -3.06 0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1m9g s ARG 73 CO 0.27 -0.29 0.12 0.00 -0.81 0.00 0.00 175.30 174.59 1m9g s ALA 74 N -0.91 -0.01 0.14 6.12 0.00 0.05 -0.20 121.76 126.95 1m9g s ALA 74 Ca 0.52 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1m9g s ALA 74 Cb -0.41 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1m9g s ALA 74 CO 0.53 -0.52 -0.07 -0.51 0.00 0.00 0.00 175.76 175.19 1m9g s ASP 75 N 2.20 4.49 -0.01 0.00 1.11 -1.20 -0.86 116.67 122.40 1m9g s ASP 75 Ca 0.03 -0.42 0.03 0.00 0.18 0.00 0.00 52.55 52.37 1m9g s ASP 75 Cb -0.12 -0.87 -0.01 0.00 1.07 0.00 0.00 42.92 42.99 1m9g s ASP 75 CO -0.05 0.14 -0.09 -0.63 1.18 0.00 0.00 175.17 175.72 1m9g s ILE 76 N -1.46 0.73 0.10 0.77 -1.09 0.13 -0.19 121.20 120.19 1m9g s ILE 76 Ca 0.24 -0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.33 1m9g s ILE 76 Cb -0.10 -0.61 -0.04 0.00 -1.58 0.00 0.00 42.46 40.12 1m9g s ILE 76 CO 0.16 0.21 -0.02 -0.44 -1.23 0.00 0.00 174.94 173.62 1m9g s SER 77 N -0.17 4.89 0.36 3.58 0.01 -1.08 -0.39 113.70 120.89 1m9g s SER 77 Ca 0.03 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.13 1m9g s SER 77 Cb -0.04 -1.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 1m9g s SER 77 CO -0.00 0.16 0.06 -1.61 0.41 0.00 0.00 173.24 172.26 1m9g s GLU 78 N -2.37 2.13 -0.58 12.44 8.01 0.87 -0.36 118.70 138.83 1m9g s GLU 78 Ca 0.25 -1.77 -0.17 0.00 0.01 0.00 0.00 54.97 53.29 1m9g s GLU 78 Cb -0.11 -1.95 0.12 0.00 -4.31 0.00 0.00 34.13 27.88 1m9g s GLU 78 CO 0.18 0.08 0.61 0.34 0.01 0.00 0.00 175.26 176.47 1m9g s ASP 79 N -3.76 6.22 0.09 -0.19 2.15 -1.03 -3.95 116.67 116.21 1m9g s ASP 79 Ca 0.36 -1.69 -0.05 0.00 0.43 0.00 0.00 52.55 51.60 1m9g s ASP 79 Cb 0.01 -2.25 0.11 0.00 -0.30 0.00 0.00 42.92 40.49 1m9g s ASP 79 CO 0.20 -0.96 0.55 0.00 -0.17 0.00 0.00 175.17 174.80 1m9g n TYR 80 N 5.66 0.05 -0.30 -5.34 9.36 -0.29 -0.65 117.16 125.64 1m9g n TYR 80 Ca -0.10 0.44 0.04 0.00 3.32 0.00 0.00 57.90 61.60 1m9g n TYR 80 Cb 0.41 -0.66 0.12 0.00 -0.63 0.00 0.00 39.34 38.59 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 0.01 0.00 2.98 3.11 -1.90 -3.43 116.57 117.34 1m9g h LYS 81 Ca 0.14 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 1m9g h LYS 81 Cb 0.23 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1m9g h LYS 81 CO -0.36 0.01 0.00 2.41 -2.81 0.00 0.00 179.45 178.70 1m9g n THR 82 N -5.52 0.00 -2.45 1.00 -1.04 0.17 -5.09 114.28 101.35 1m9g n THR 82 Ca 0.13 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1m9g n THR 82 Cb 0.45 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.98 1m9g n THR 82 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1m9g n ARG 83 N 0.00 0.25 -0.76 -2.82 0.63 -1.03 -4.83 116.66 108.08 1m9g n ARG 83 Ca 0.00 -0.23 -0.29 0.00 -0.92 0.00 0.00 57.85 56.40 1m9g n ARG 83 Cb 0.00 0.12 0.20 0.00 0.45 0.00 0.00 32.46 33.24 1m9g n ARG 83 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1m9g s GLY 84 N -0.22 1.59 -0.09 5.14 0.00 -1.26 -4.78 107.32 107.70 1m9g s GLY 84 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 1m9g s GLY 84 CO -0.02 0.62 -0.04 1.09 0.00 0.00 0.00 173.10 174.75 1m9g s ARG 85 N -4.64 1.10 -0.07 2.90 1.04 -1.26 -2.46 118.95 115.56 1m9g s ARG 85 Ca 0.67 -0.10 0.02 0.00 -1.04 0.00 0.00 55.73 55.27 1m9g s ARG 85 Cb -0.23 -1.26 -0.03 0.00 -2.04 0.00 0.00 34.95 31.40 1m9g s ARG 85 CO 0.61 -0.25 -0.11 0.15 -0.04 0.00 0.00 175.30 175.66 1m9g s LYS 86 N 1.70 2.78 -0.80 3.89 -0.14 0.51 -5.01 119.74 122.67 1m9g s LYS 86 Ca 0.03 -0.64 -0.26 0.00 -1.36 0.00 0.00 55.97 53.74 1m9g s LYS 86 Cb -0.13 -2.51 0.04 0.00 -1.68 0.00 0.00 37.83 33.55 1m9g s LYS 86 CO -0.06 0.55 1.31 -1.17 -0.76 0.00 0.00 175.35 175.22 1m9g s LEU 87 N -0.52 3.27 0.00 3.17 0.20 -1.26 -2.63 118.68 120.91 1m9g s LEU 87 Ca 0.07 -0.70 0.10 0.00 0.69 0.00 0.00 54.13 54.29 1m9g s LEU 87 Cb -0.12 -2.56 0.21 0.00 -0.43 0.00 0.00 46.19 43.29 1m9g s LEU 87 CO 0.02 -1.75 1.09 0.18 -0.29 0.00 0.00 176.35 175.59 1m9g n LEU 88 N 9.22 2.49 -4.63 -0.68 4.77 -1.16 -5.02 117.00 121.99 1m9g n LEU 88 Ca 0.10 -1.66 -0.29 0.00 -0.03 0.00 0.00 56.01 54.13 1m9g n LEU 88 Cb 0.49 -0.14 0.19 0.00 -2.33 0.00 0.00 43.42 41.64 1m9g n LEU 88 CO 0.70 0.59 0.61 0.00 -1.33 0.00 0.00 177.39 177.96 1m9g s ARG 89 N -0.94 0.20 -0.28 3.23 1.70 0.74 -3.21 118.95 120.38 1m9g s ARG 89 Ca 0.18 0.70 -0.10 0.00 -0.47 0.00 0.00 55.73 56.04 1m9g s ARG 89 Cb 0.10 -1.70 0.01 0.00 -0.57 0.00 0.00 34.95 32.80 1m9g s ARG 89 CO 0.14 -2.93 0.37 1.19 -1.08 0.00 0.00 175.30 172.98 1m9g n PHE 90 N -4.34 -2.36 -4.03 5.89 3.72 -1.09 -4.79 117.46 110.45 1m9g n PHE 90 Ca 0.05 0.96 -0.10 0.00 -0.05 0.00 0.00 57.45 58.31 1m9g n PHE 90 Cb 0.56 -3.23 -0.07 0.00 -0.94 0.00 0.00 39.48 35.79 1m9g n PHE 90 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1m9g s ASN 91 N -2.00 0.03 0.20 4.37 0.02 0.73 -4.99 114.94 113.29 1m9g s ASN 91 Ca 0.15 -1.01 0.00 0.00 -1.02 0.00 0.00 52.86 50.98 1m9g s ASN 91 Cb -0.04 0.47 0.00 0.00 0.02 0.00 0.00 41.25 41.70 1m9g s ASN 91 CO 0.52 -0.96 0.00 0.61 0.02 0.00 0.00 177.10 177.28 1m9g n GLY 92 N -0.28 1.15 3.66 0.66 0.00 -1.26 -1.96 105.19 107.16 1m9g n GLY 92 Ca -0.03 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 0.62 -0.04 1.61 0.04 -1.26 -5.07 135.00 130.90 1m9g s PRO 93 Ca 0.00 0.85 0.06 0.00 0.04 0.00 0.00 61.00 61.95 1m9g s PRO 93 Cb 0.00 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1m9g s PRO 93 CO 0.00 -2.68 -0.20 0.08 0.04 0.00 0.00 177.00 174.24 1m9g s VAL 94 N -2.81 2.56 0.76 -0.36 1.01 0.22 -4.97 120.40 116.82 1m9g s VAL 94 Ca 0.65 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1m9g s VAL 94 Cb -0.20 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.28 1m9g s VAL 94 CO 0.59 0.58 1.09 -2.16 0.00 0.00 0.00 175.10 175.20 1m9g s PRO 95 N -0.60 2.30 0.70 2.72 0.04 -1.26 -2.63 135.00 136.27 1m9g s PRO 95 Ca 0.09 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 1m9g s PRO 95 Cb -0.11 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1m9g s PRO 95 CO 0.00 -1.62 1.14 -1.25 0.04 0.00 0.00 177.00 175.31 1m9g s PRO 96 N -4.83 2.45 0.00 0.56 0.04 -1.26 -4.73 135.00 127.24 1m9g s PRO 96 Ca 0.62 1.48 0.20 0.00 0.04 0.00 0.00 61.00 63.34 1m9g s PRO 96 Cb -0.17 -1.90 1.17 0.00 0.04 0.00 0.00 34.50 33.64 1m9g s PRO 96 CO 0.55 -1.54 1.56 -0.35 0.04 0.00 0.00 177.00 177.26