#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 2.47 0.26 3.03 0.00 -1.26 -4.96 105.19 104.74 1m9g n GLY 2 Ca 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 46.02 44.78 1m9g n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1m9g n GLU 3 N -0.11 -0.55 -3.90 1.61 4.07 -1.26 -4.94 120.64 115.56 1m9g n GLU 3 Ca -0.01 0.39 -0.23 0.00 -0.06 0.00 0.00 57.16 57.26 1m9g n GLU 3 Cb 0.12 -0.66 -0.02 0.00 -0.06 0.00 0.00 31.44 30.81 1m9g n GLU 3 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1m9g s TRP 4 N -1.85 3.47 0.14 4.31 0.52 -1.26 -4.00 118.94 120.27 1m9g s TRP 4 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.21 1m9g s TRP 4 Cb 0.00 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1m9g s TRP 4 CO 0.00 0.43 -0.05 -1.21 0.02 0.00 0.00 176.95 176.14 1m9g s GLU 5 N -3.76 0.99 0.36 4.98 0.41 0.46 -4.96 118.70 117.18 1m9g s GLU 5 Ca 0.35 -1.44 -0.27 0.00 -0.41 0.00 0.00 54.97 53.20 1m9g s GLU 5 Cb -0.10 -0.34 -0.09 0.00 -1.78 0.00 0.00 34.13 31.82 1m9g s GLU 5 CO 0.29 -0.03 1.17 0.96 -0.49 0.00 0.00 175.26 177.16 1m9g s ILE 6 N -3.56 3.17 0.13 -1.63 -4.36 -1.26 -0.92 121.20 112.77 1m9g s ILE 6 Ca 0.17 1.05 -0.06 0.00 -0.26 0.00 0.00 60.65 61.55 1m9g s ILE 6 Cb 0.05 -3.62 -0.16 0.00 1.25 0.00 0.00 42.46 39.98 1m9g s ILE 6 CO -0.00 0.16 1.33 -0.29 0.24 0.00 0.00 174.94 176.38 1m9g h ILE 7 N 2.61 1.35 -2.13 8.37 -0.00 -1.92 -3.43 117.51 122.36 1m9g h ILE 7 Ca -0.48 -2.20 0.15 0.00 -0.00 0.00 0.00 64.86 62.32 1m9g h ILE 7 Cb 1.23 2.20 -0.04 0.00 -0.00 0.00 0.00 36.82 40.21 1m9g h ILE 7 CO 0.64 0.67 -0.20 -0.67 -0.00 0.00 0.00 178.15 178.59 1m9g n ASP 8 N -3.84 -5.97 -4.54 2.19 2.03 -1.26 -4.61 116.55 100.56 1m9g n ASP 8 Ca -0.07 0.60 -0.26 0.00 0.52 0.00 0.00 54.79 55.59 1m9g n ASP 8 Cb 0.78 -1.69 -0.11 0.00 -0.72 0.00 0.00 41.12 39.38 1m9g n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1m9g s ILE 9 N -0.93 2.08 0.00 5.18 -1.09 -1.26 -4.33 121.20 120.85 1m9g s ILE 9 Ca 0.00 -2.15 0.00 0.00 -2.23 0.00 0.00 60.65 56.27 1m9g s ILE 9 Cb 0.00 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1m9g s ILE 9 CO 0.00 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 1m9g n GLY 10 N -0.80 0.93 2.68 6.18 0.00 -1.26 -4.68 105.19 108.24 1m9g n GLY 10 Ca -0.05 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 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 1.88 2.61 0.00 1.61 -0.04 -1.26 -2.90 135.00 136.90 1m9g n PRO 11 Ca 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1m9g n PRO 11 Cb 0.00 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 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 5.33 -1.70 -0.06 0.54 -0.00 -1.26 -4.77 117.46 115.55 1m9g n PHE 12 Ca 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.92 1m9g n PHE 12 Cb 0.29 0.35 -0.04 0.00 -0.00 0.00 0.00 39.48 40.08 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 1.11 -0.44 -2.13 1.03 -1.75 -1.83 112.91 108.90 1m9g h THR 13 Ca 0.00 -0.28 -0.08 0.00 -0.01 0.00 0.00 66.41 66.04 1m9g h THR 13 Cb 0.00 0.90 -0.01 0.00 -1.07 0.00 0.00 68.15 67.96 1m9g h THR 13 CO 0.00 0.10 -0.06 1.56 -0.01 0.00 0.00 175.52 177.12 1m9g h GLN 14 N 0.25 0.81 0.01 0.00 7.50 -1.89 0.97 115.11 122.77 1m9g h GLN 14 Ca 0.08 -0.29 0.02 0.00 0.50 0.00 0.00 58.65 58.96 1m9g h GLN 14 Cb 0.06 -0.06 -0.06 0.00 0.05 0.00 0.00 27.48 27.47 1m9g h GLN 14 CO -0.01 0.90 -0.49 -0.91 -1.50 0.00 0.00 178.83 176.82 1m9g h ASN 15 N 0.64 -1.49 -0.36 1.46 4.21 -1.70 0.22 115.58 118.56 1m9g h ASN 15 Ca 0.12 0.17 -0.03 0.00 1.21 0.00 0.00 56.30 57.77 1m9g h ASN 15 Cb 0.57 0.57 -0.02 0.00 -1.12 0.00 0.00 38.32 38.33 1m9g h ASN 15 CO 0.03 -0.50 0.11 -0.07 -1.29 0.00 0.00 177.43 175.71 1m9g h LEU 16 N -0.65 0.52 -0.54 1.61 3.38 -1.29 0.12 115.31 118.47 1m9g h LEU 16 Ca 0.03 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1m9g h LEU 16 Cb 0.70 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1m9g h LEU 16 CO -0.34 0.59 0.19 0.00 0.09 0.00 0.00 178.44 178.98 1m9g h ALA 17 N 0.95 0.67 0.26 1.53 0.00 -0.45 0.14 119.26 122.35 1m9g h ALA 17 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1m9g h ALA 17 Cb 0.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1m9g h ALA 17 CO -0.00 -0.21 -0.12 0.87 0.00 0.00 0.00 179.25 179.79 1m9g h LYS 18 N 0.37 -0.33 -0.89 0.00 1.79 -0.42 -2.93 116.57 114.17 1m9g h LYS 18 Ca 0.26 0.02 0.24 0.00 -2.18 0.00 0.00 60.65 59.00 1m9g h LYS 18 Cb 0.30 0.08 -0.15 0.00 -1.58 0.00 0.00 32.23 30.88 1m9g h LYS 18 CO -0.27 -0.04 0.20 0.35 -1.08 0.00 0.00 179.45 178.61 1m9g h PHE 19 N -0.62 0.29 0.00 -1.35 3.57 -0.51 0.29 116.94 118.61 1m9g h PHE 19 Ca -0.04 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1m9g h PHE 19 Cb 0.45 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1m9g h PHE 19 CO 0.01 -0.25 0.00 0.00 -2.23 0.00 0.00 178.31 175.84 1m9g n ALA 20 N -2.76 -0.17 0.01 2.41 0.00 0.44 -0.57 120.51 119.87 1m9g n ALA 20 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 1m9g n ALA 20 Cb 0.70 0.31 -0.08 0.00 0.00 0.00 0.00 19.45 20.38 1m9g n ALA 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m9g h VAL 21 N 0.00 1.18 -0.01 0.00 2.07 -1.04 -0.29 116.25 118.17 1m9g h VAL 21 Ca 0.00 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1m9g h VAL 21 Cb 0.00 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1m9g h VAL 21 CO 0.00 0.14 -0.33 -0.78 0.02 0.00 0.00 177.57 176.62 1m9g h ASP 22 N -0.20 -1.02 -0.34 0.57 3.58 -0.50 0.23 116.42 118.76 1m9g h ASP 22 Ca 0.00 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1m9g h ASP 22 Cb 0.23 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1m9g h ASP 22 CO 0.00 -0.32 0.08 -0.08 -2.88 0.00 0.00 179.24 176.04 1m9g h GLU 23 N -0.41 0.54 -0.77 0.28 4.22 -0.84 0.12 114.58 117.72 1m9g h GLU 23 Ca 0.01 -0.13 0.15 0.00 0.08 0.00 0.00 59.36 59.47 1m9g h GLU 23 Cb 0.44 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.47 1m9g h GLU 23 CO -0.22 0.59 -0.20 1.49 -2.18 0.00 0.00 179.01 178.49 1m9g h GLU 24 N 0.39 -0.01 -0.26 1.92 4.22 -0.91 -0.83 114.58 119.09 1m9g h GLU 24 Ca 0.11 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.43 1m9g h GLU 24 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1m9g h GLU 24 CO 0.00 -0.00 -0.31 -0.97 -2.18 0.00 0.00 179.01 175.55 1m9g h ASN 25 N -0.01 0.73 -0.97 1.04 -0.73 0.57 0.63 115.58 116.84 1m9g h ASN 25 Ca 0.37 -0.49 0.19 0.00 1.87 0.00 0.00 56.30 58.24 1m9g h ASN 25 Cb 0.57 -0.21 -0.09 0.00 0.27 0.00 0.00 38.32 38.86 1m9g h ASN 25 CO -0.80 1.07 0.61 0.50 -0.37 0.00 0.00 177.43 178.45 1m9g h LYS 26 N 0.40 0.63 0.00 6.67 3.11 0.01 -3.31 116.57 124.09 1m9g h LYS 26 Ca 0.04 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1m9g h LYS 26 Cb 0.88 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1m9g h LYS 26 CO 0.07 0.42 0.00 -0.89 -2.81 0.00 0.00 179.45 176.24 1m9g n ILE 27 N -4.65 0.00 -0.99 2.00 5.41 -0.39 -5.06 119.36 115.67 1m9g n ILE 27 Ca 0.22 0.46 0.00 0.00 1.00 0.00 0.00 62.75 64.43 1m9g n ILE 27 Cb 0.61 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.10 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 1.72 1.02 0.07 7.39 0.00 0.22 -5.04 105.19 110.57 1m9g n GLY 28 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -0.01 0.00 1.61 5.75 -1.94 -3.43 115.11 117.09 1m9g h GLN 29 Ca 0.00 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.24 1m9g h GLN 29 Cb 0.40 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 1m9g h GLN 29 CO 0.00 0.75 -1.90 2.48 -2.65 0.00 0.00 178.83 177.50 1m9g n TYR 30 N -4.67 0.00 0.00 3.99 4.11 -1.26 -5.15 117.16 114.18 1m9g n TYR 30 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 1m9g n TYR 30 Cb 0.37 -0.59 0.00 0.00 -0.00 0.00 0.00 39.34 39.12 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 2.21 -0.59 2.31 -7.48 0.00 -1.26 -4.77 105.19 95.61 1m9g n GLY 31 Ca -0.31 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 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 0.10 2.83 0.00 1.61 0.00 -1.26 -5.02 116.66 114.92 1m9g n ARG 32 Ca 0.00 -3.43 0.00 0.00 -0.00 0.00 0.00 57.85 54.42 1m9g n ARG 32 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.17 1m9g n ARG 32 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1m9g n LEU 33 N -0.87 0.00 -4.84 6.15 -0.00 -1.26 -3.90 117.00 112.28 1m9g n LEU 33 Ca 0.60 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 56.24 1m9g n LEU 33 Cb 0.69 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.04 1m9g n LEU 33 CO 0.73 0.00 -0.17 -0.89 -0.00 0.00 0.00 177.39 177.06 1m9g s THR 34 N 0.00 5.48 -0.95 1.47 2.01 -1.26 -5.02 115.64 117.37 1m9g s THR 34 Ca 0.00 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1m9g s THR 34 Cb 0.00 -3.41 -0.21 0.00 0.01 0.00 0.00 72.50 68.89 1m9g s THR 34 CO 0.00 0.58 2.67 0.49 -0.69 0.00 0.00 174.62 177.67 1m9g n PHE 35 N 2.36 0.65 0.00 4.92 3.72 -1.25 -4.60 117.46 123.25 1m9g n PHE 35 Ca -0.19 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1m9g n PHE 35 Cb 0.54 -2.40 0.00 0.00 -0.94 0.00 0.00 39.48 36.68 1m9g n PHE 35 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1m9g n ASN 36 N 11.04 0.00 -3.58 4.37 0.23 -1.26 -5.10 115.26 120.96 1m9g n ASN 36 Ca 0.63 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.63 1m9g n ASN 36 Cb 0.08 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.76 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 3.12 0.41 0.11 -3.83 2.20 -1.26 -5.07 119.74 115.43 1m9g s LYS 37 Ca 0.00 -0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.35 1m9g s LYS 37 Cb 0.00 0.19 -0.07 0.00 -1.51 0.00 0.00 37.83 36.44 1m9g s LYS 37 CO 0.00 -0.17 0.51 0.54 -0.36 0.00 0.00 175.35 175.87 1m9g s VAL 38 N -2.35 4.90 0.16 4.02 0.11 -1.26 -0.82 120.40 125.15 1m9g s VAL 38 Ca 0.08 0.82 -0.27 0.00 -2.93 0.00 0.00 61.98 59.67 1m9g s VAL 38 Cb -0.01 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 31.11 1m9g s VAL 38 CO -0.05 0.32 1.56 0.16 -3.33 0.00 0.00 175.10 173.76 1m9g h ILE 39 N 2.99 0.05 -2.48 7.04 3.07 -1.79 -3.46 117.51 122.94 1m9g h ILE 39 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1m9g h ILE 39 Cb 1.20 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 1m9g h ILE 39 CO 0.65 0.00 -0.61 0.54 -1.05 0.00 0.00 178.15 177.68 1m9g n ARG 40 N -5.39 -2.99 -1.16 0.16 1.74 -1.26 -5.05 116.66 102.72 1m9g n ARG 40 Ca 0.01 2.24 -0.30 0.00 -0.77 0.00 0.00 57.85 59.03 1m9g n ARG 40 Cb 0.34 -2.58 0.25 0.00 -1.02 0.00 0.00 32.46 29.45 1m9g n ARG 40 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1m9g s PRO 41 N -4.59 -1.41 0.31 5.56 0.04 -1.26 -5.18 135.00 128.46 1m9g s PRO 41 Ca 0.00 -0.25 0.07 0.00 0.04 0.00 0.00 61.00 60.86 1m9g s PRO 41 Cb 0.00 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 1m9g s PRO 41 CO 0.00 -3.80 0.25 0.00 0.04 0.00 0.00 177.00 173.48 1m9g s MET 43 N -3.25 0.24 0.44 0.00 1.75 -1.00 -3.59 119.30 113.90 1m9g s MET 43 Ca 0.35 0.55 0.07 0.00 -1.25 0.00 0.00 55.69 55.42 1m9g s MET 43 Cb 0.02 -0.08 -0.01 0.00 2.84 0.00 0.00 34.83 37.60 1m9g s MET 43 CO 0.25 -0.15 0.38 -1.59 -0.65 0.00 0.00 175.02 173.26 1m9g s LYS 44 N 1.17 2.46 0.16 4.11 -2.85 -0.10 -1.44 119.74 123.25 1m9g s LYS 44 Ca -0.08 -1.63 -0.06 0.00 -1.00 0.00 0.00 55.97 53.19 1m9g s LYS 44 Cb -0.09 -2.32 0.02 0.00 -2.06 0.00 0.00 37.83 33.38 1m9g s LYS 44 CO -0.08 -0.27 0.32 0.36 0.10 0.00 0.00 175.35 175.77 1m9g n LYS 45 N -1.58 0.46 -4.33 1.78 0.00 0.44 -0.41 118.16 114.53 1m9g n LYS 45 Ca 0.03 -0.96 -0.34 0.00 -0.00 0.00 0.00 58.31 57.04 1m9g n LYS 45 Cb 0.62 1.17 -0.15 0.00 -0.00 0.00 0.00 35.03 36.67 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 -2.62 2.84 0.36 0.58 -1.32 -1.26 -0.60 115.64 113.63 1m9g s THR 46 Ca 0.07 -0.70 -0.26 0.00 -1.21 0.00 0.00 61.69 59.60 1m9g s THR 46 Cb -0.02 -2.23 -0.09 0.00 -1.51 0.00 0.00 72.50 68.65 1m9g s THR 46 CO 0.05 0.49 1.07 -0.51 -2.21 0.00 0.00 174.62 173.52 1m9g s ILE 47 N 1.00 3.62 0.00 5.08 2.07 -0.25 -4.86 121.20 127.87 1m9g s ILE 47 Ca -0.01 1.37 0.00 0.00 -1.41 0.00 0.00 60.65 60.59 1m9g s ILE 47 Cb -0.15 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 38.67 1m9g s ILE 47 CO -0.02 0.13 0.00 -1.22 -1.91 0.00 0.00 174.94 171.92 1m9g n TYR 48 N 0.36 -1.73 -3.35 3.50 4.01 -1.26 -3.28 117.16 115.40 1m9g n TYR 48 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 1m9g n TYR 48 Cb 0.48 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.42 1m9g n TYR 48 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1m9g s GLU 49 N 0.05 0.75 0.17 -0.72 0.41 -1.23 -4.33 118.70 113.80 1m9g s GLU 49 Ca 0.00 -1.49 -0.33 0.00 -0.41 0.00 0.00 54.97 52.74 1m9g s GLU 49 Cb 0.00 -1.09 -0.15 0.00 -1.78 0.00 0.00 34.13 31.11 1m9g s GLU 49 CO 0.00 -1.29 1.29 0.27 -0.49 0.00 0.00 175.26 175.05 1m9g n ASN 50 N 3.54 1.89 -0.13 -0.19 0.23 -1.26 -4.25 115.26 115.09 1m9g n ASN 50 Ca 0.19 1.13 0.00 0.00 -0.53 0.00 0.00 54.58 55.37 1m9g n ASN 50 Cb 0.45 -1.28 -0.00 0.00 -2.08 0.00 0.00 39.78 36.87 1m9g n ASN 50 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1m9g n GLU 51 N 2.13 -0.35 -1.98 -3.83 0.00 -1.26 -5.05 120.64 110.30 1m9g n GLU 51 Ca 0.15 0.27 -0.01 0.00 0.00 0.00 0.00 57.16 57.57 1m9g n GLU 51 Cb 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 31.44 31.35 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 -1.63 -0.71 6.46 8.31 0.00 -1.26 -4.63 105.19 111.73 1m9g n GLY 52 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.95 0.00 -2.70 1.61 3.01 -1.26 -3.59 117.46 113.58 1m9g n PHE 53 Ca 0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.42 1m9g n PHE 53 Cb 0.37 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.91 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 0.00 0.38 -1.64 -1.08 1.85 -1.26 -5.06 116.66 109.86 1m9g n ARG 54 Ca 0.00 -1.10 -0.29 0.00 -1.00 0.00 0.00 57.85 55.46 1m9g n ARG 54 Cb 0.00 -0.68 0.14 0.00 -1.05 0.00 0.00 32.46 30.87 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 0.31 1.08 -0.04 2.89 2.56 -1.24 -4.99 118.70 119.27 1m9g s GLU 55 Ca 0.28 0.13 0.02 0.00 0.00 0.00 0.00 54.97 55.39 1m9g s GLU 55 Cb 0.22 -1.85 0.01 0.00 2.00 0.00 0.00 34.13 34.52 1m9g s GLU 55 CO -0.15 -2.21 -0.08 0.42 -0.56 0.00 0.00 175.26 172.69 1m9g s ILE 56 N -3.41 0.76 -0.17 -3.70 1.01 -1.26 -3.48 121.20 110.94 1m9g s ILE 56 Ca 0.65 -0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 1m9g s ILE 56 Cb -0.12 -0.72 -0.12 0.00 0.01 0.00 0.00 42.46 41.51 1m9g s ILE 56 CO 0.52 0.26 0.09 0.11 0.00 0.00 0.00 174.94 175.92 1m9g h LYS 57 N 6.88 0.00 0.00 2.79 1.79 -1.74 -3.47 116.57 122.82 1m9g h LYS 57 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1m9g h LYS 57 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1m9g h LYS 57 CO 0.48 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 179.80 1m9g n GLY 58 N 1.54 -0.52 3.75 3.86 0.00 -1.25 -2.89 105.19 109.68 1m9g n GLY 58 Ca -0.19 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 3.94 0.03 1.61 2.02 -1.26 -1.09 117.35 120.61 1m9g s TYR 59 Ca 0.00 1.89 0.06 0.00 -0.37 0.00 0.00 57.07 58.66 1m9g s TYR 59 Cb 0.00 -3.01 -0.02 0.00 -0.40 0.00 0.00 41.96 38.53 1m9g s TYR 59 CO 0.00 0.35 -0.18 -1.21 -1.57 0.00 0.00 175.55 172.94 1m9g s GLU 60 N -1.16 1.27 -0.30 -0.62 2.02 0.23 0.37 118.70 120.51 1m9g s GLU 60 Ca 0.42 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.63 1m9g s GLU 60 Cb -0.26 -1.32 0.08 0.00 0.10 0.00 0.00 34.13 32.73 1m9g s GLU 60 CO 0.33 0.34 -0.02 0.71 0.02 0.00 0.00 175.26 176.64 1m9g s TYR 61 N -0.71 3.39 -0.39 1.61 2.02 0.48 -0.42 117.35 123.34 1m9g s TYR 61 Ca 0.06 -2.59 -0.26 0.00 -0.37 0.00 0.00 57.07 53.90 1m9g s TYR 61 Cb -0.08 -2.38 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1m9g s TYR 61 CO 0.01 -0.91 0.97 -1.14 -1.57 0.00 0.00 175.55 172.91 1m9g s GLN 62 N 1.04 3.81 -0.01 -0.62 0.74 -0.52 -2.28 119.66 121.83 1m9g s GLN 62 Ca 0.02 0.58 0.00 0.00 0.05 0.00 0.00 55.36 56.01 1m9g s GLN 62 Cb -0.19 -3.82 0.01 0.00 1.10 0.00 0.00 33.01 30.11 1m9g s GLN 62 CO -0.07 -1.03 0.01 -0.48 -0.55 0.00 0.00 175.29 173.17 1m9g s LEU 63 N 3.64 1.62 -0.62 3.68 0.05 -0.09 -2.36 118.68 124.59 1m9g s LEU 63 Ca 0.40 0.01 -0.14 0.00 0.05 0.00 0.00 54.13 54.44 1m9g s LEU 63 Cb -0.11 -0.06 0.16 0.00 -2.05 0.00 0.00 46.19 44.13 1m9g s LEU 63 CO 0.21 -0.05 0.56 -0.31 -0.55 0.00 0.00 176.35 176.21 1m9g s TYR 64 N 0.44 3.42 -0.04 3.48 2.02 -1.26 -0.97 117.35 124.44 1m9g s TYR 64 Ca -0.04 -1.59 -0.28 0.00 -0.37 0.00 0.00 57.07 54.79 1m9g s TYR 64 Cb -0.06 -3.76 -0.03 0.00 -0.40 0.00 0.00 41.96 37.71 1m9g s TYR 64 CO -0.01 -1.00 0.92 0.08 -1.57 0.00 0.00 175.55 173.96 1m9g s VAL 65 N 1.12 4.89 -1.15 0.71 1.01 -0.62 -2.13 120.40 124.23 1m9g s VAL 65 Ca 0.08 1.90 -0.04 0.00 0.00 0.00 0.00 61.98 63.92 1m9g s VAL 65 Cb -0.24 -4.25 0.24 0.00 0.00 0.00 0.00 36.38 32.14 1m9g s VAL 65 CO -0.01 0.15 1.95 0.00 0.00 0.00 0.00 175.10 177.19 1m9g n TYR 66 N 4.13 2.64 -2.97 5.22 9.36 -0.00 -1.16 117.16 134.39 1m9g n TYR 66 Ca 0.05 -2.66 -0.39 0.00 3.32 0.00 0.00 57.90 58.22 1m9g n TYR 66 Cb 0.51 -1.47 -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 -2.69 3.41 -1.07 2.98 0.00 -0.63 -3.59 121.76 120.18 1m9g s ALA 67 Ca 0.42 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1m9g s ALA 67 Cb 0.16 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1m9g s ALA 67 CO -0.07 0.28 0.05 0.43 0.00 0.00 0.00 175.76 176.45 1m9g n SER 68 N 1.33 -3.90 -2.68 0.00 7.64 -1.26 -0.01 113.62 114.74 1m9g n SER 68 Ca -0.04 0.14 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 1m9g n SER 68 Cb 0.49 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 1m9g n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1m9g n ASP 69 N -1.85 -5.17 -4.30 6.43 2.03 -1.24 -4.99 116.55 107.47 1m9g n ASP 69 Ca -0.13 -0.07 -0.20 0.00 0.52 0.00 0.00 54.79 54.91 1m9g n ASP 69 Cb 0.60 -4.28 -0.11 0.00 -0.72 0.00 0.00 41.12 36.62 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 -5.32 1.18 -0.36 -0.67 3.01 0.98 -4.98 119.74 113.58 1m9g s LYS 70 Ca 0.12 -1.36 -0.23 0.00 -1.01 0.00 0.00 55.97 53.50 1m9g s LYS 70 Cb -0.06 -1.14 0.01 0.00 -1.01 0.00 0.00 37.83 35.63 1m9g s LYS 70 CO 0.15 0.22 0.75 -0.51 0.51 0.00 0.00 175.35 176.48 1m9g s LEU 71 N -2.63 4.15 -0.26 3.17 1.43 -1.07 -1.61 118.68 121.87 1m9g s LEU 71 Ca 0.14 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1m9g s LEU 71 Cb -0.05 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.20 1m9g s LEU 71 CO 0.05 -0.70 -0.00 -0.36 0.23 0.00 0.00 176.35 175.57 1m9g s PHE 72 N 3.01 3.07 -0.13 0.29 0.08 -0.30 -0.52 117.98 123.48 1m9g s PHE 72 Ca 0.30 -1.17 -0.29 0.00 0.12 0.00 0.00 56.93 55.89 1m9g s PHE 72 Cb -0.13 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 1m9g s PHE 72 CO 0.16 -0.62 1.59 0.50 -0.10 0.00 0.00 175.22 176.75 1m9g s ARG 73 N 1.43 4.05 -0.16 0.44 3.52 -0.10 -1.58 118.95 126.55 1m9g s ARG 73 Ca 0.03 1.93 0.02 0.00 -0.13 0.00 0.00 55.73 57.57 1m9g s ARG 73 Cb -0.16 -3.97 0.01 0.00 -1.56 0.00 0.00 34.95 29.27 1m9g s ARG 73 CO -0.02 -0.99 -0.21 0.00 -0.81 0.00 0.00 175.30 173.27 1m9g s ALA 74 N 4.40 2.28 -0.22 6.12 0.00 -0.14 0.25 121.76 134.46 1m9g s ALA 74 Ca 0.70 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1m9g s ALA 74 Cb -0.29 -1.08 0.04 0.00 0.00 0.00 0.00 23.12 21.80 1m9g s ALA 74 CO 0.27 -0.17 -0.13 0.34 0.00 0.00 0.00 175.76 176.07 1m9g s ASP 75 N 1.03 3.70 -0.18 0.00 -1.08 -1.19 -0.92 116.67 118.03 1m9g s ASP 75 Ca -0.02 -1.01 -0.15 0.00 -0.52 0.00 0.00 52.55 50.86 1m9g s ASP 75 Cb -0.14 -1.41 -0.04 0.00 -1.46 0.00 0.00 42.92 39.86 1m9g s ASP 75 CO -0.07 -0.12 0.33 -0.63 0.52 0.00 0.00 175.17 175.20 1m9g s ILE 76 N 1.26 5.26 0.47 4.11 -1.09 -0.96 -2.17 121.20 128.08 1m9g s ILE 76 Ca -0.02 0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 58.99 1m9g s ILE 76 Cb -0.17 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1m9g s ILE 76 CO -0.08 0.33 0.72 -0.55 -1.23 0.00 0.00 174.94 174.13 1m9g s SER 77 N 0.75 5.91 0.37 3.58 0.15 -1.05 -0.39 113.70 123.03 1m9g s SER 77 Ca 0.17 0.50 0.04 0.00 0.70 0.00 0.00 55.95 57.36 1m9g s SER 77 Cb -0.14 -1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1m9g s SER 77 CO 0.06 -0.71 0.07 -1.61 1.20 0.00 0.00 173.24 172.25 1m9g s GLU 78 N -4.65 1.80 -0.52 5.44 2.02 0.16 0.05 118.70 123.00 1m9g s GLU 78 Ca 0.48 -2.04 -0.14 0.00 0.02 0.00 0.00 54.97 53.29 1m9g s GLU 78 Cb -0.10 -0.93 0.13 0.00 0.10 0.00 0.00 34.13 33.33 1m9g s GLU 78 CO 0.40 -0.26 0.46 0.34 0.02 0.00 0.00 175.26 176.22 1m9g s ASP 79 N -3.57 6.05 0.25 -0.19 2.15 -1.18 -4.20 116.67 115.98 1m9g s ASP 79 Ca 0.30 -1.82 0.07 0.00 0.43 0.00 0.00 52.55 51.53 1m9g s ASP 79 Cb 0.07 -2.15 0.74 0.00 -0.30 0.00 0.00 42.92 41.27 1m9g s ASP 79 CO 0.14 -0.81 1.17 0.00 -0.17 0.00 0.00 175.17 175.50 1m9g n TYR 80 N 5.15 0.63 -0.33 -5.34 9.36 -1.14 -1.24 117.16 124.26 1m9g n TYR 80 Ca -0.12 0.89 0.21 0.00 3.32 0.00 0.00 57.90 62.20 1m9g n TYR 80 Cb 0.40 -1.16 0.41 0.00 -0.63 0.00 0.00 39.34 38.37 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 0.04 0.00 2.98 1.63 -1.93 -3.41 116.57 115.88 1m9g h LYS 81 Ca 0.52 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1m9g h LYS 81 Cb 1.23 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1m9g h LYS 81 CO -0.65 0.02 0.00 2.41 -3.45 0.00 0.00 179.45 177.78 1m9g n THR 82 N -5.36 0.00 0.00 1.00 -1.04 -0.37 -5.07 114.28 103.44 1m9g n THR 82 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1m9g n THR 82 Cb 0.96 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 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 -0.54 0.00 -0.10 -2.82 1.74 -0.75 -4.93 116.66 109.26 1m9g n ARG 83 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1m9g n ARG 83 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 1m9g n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m9g n GLY 84 N 0.00 -2.38 3.09 -0.13 0.00 -1.23 -4.77 105.19 99.77 1m9g n GLY 84 Ca 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1m9g n GLY 84 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1m9g s ARG 85 N -3.22 0.60 -0.02 1.61 1.04 -1.26 -3.12 118.95 114.58 1m9g s ARG 85 Ca 0.06 -0.87 0.01 0.00 -1.04 0.00 0.00 55.73 53.89 1m9g s ARG 85 Cb -0.01 -0.32 0.02 0.00 -2.04 0.00 0.00 34.95 32.60 1m9g s ARG 85 CO 0.05 0.05 -0.01 0.15 -0.04 0.00 0.00 175.30 175.49 1m9g s LYS 86 N -1.96 0.30 -0.58 3.89 -0.14 0.11 -4.83 119.74 116.52 1m9g s LYS 86 Ca -0.06 0.00 -0.27 0.00 -1.36 0.00 0.00 55.97 54.29 1m9g s LYS 86 Cb -0.07 -0.41 -0.02 0.00 -1.68 0.00 0.00 37.83 35.65 1m9g s LYS 86 CO -0.00 -0.06 1.80 -1.17 -0.76 0.00 0.00 175.35 175.15 1m9g s LEU 87 N 0.62 3.32 0.00 3.17 0.20 -1.26 -2.52 118.68 122.20 1m9g s LEU 87 Ca -0.06 0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.16 1m9g s LEU 87 Cb -0.09 -2.68 0.00 0.00 -0.43 0.00 0.00 46.19 42.99 1m9g s LEU 87 CO -0.01 -2.23 0.68 0.18 -0.29 0.00 0.00 176.35 174.67 1m9g n LEU 88 N 12.11 1.00 -4.60 -0.68 4.77 -1.22 -4.99 117.00 123.38 1m9g n LEU 88 Ca 0.19 -1.00 -0.28 0.00 -0.03 0.00 0.00 56.01 54.89 1m9g n LEU 88 Cb 0.51 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.81 1m9g n LEU 88 CO 0.71 0.25 0.59 0.00 -1.33 0.00 0.00 177.39 177.61 1m9g s ARG 89 N -0.44 -0.27 -0.24 3.23 1.70 -0.92 -3.15 118.95 118.86 1m9g s ARG 89 Ca 0.00 0.53 -0.08 0.00 -0.47 0.00 0.00 55.73 55.71 1m9g s ARG 89 Cb 0.00 -1.65 0.01 0.00 -0.57 0.00 0.00 34.95 32.74 1m9g s ARG 89 CO 0.00 -3.21 0.30 1.19 -1.08 0.00 0.00 175.30 172.50 1m9g n PHE 90 N -4.51 -2.12 -3.91 5.89 3.72 -1.17 -4.79 117.46 110.57 1m9g n PHE 90 Ca 0.05 0.87 -0.09 0.00 -0.05 0.00 0.00 57.45 58.23 1m9g n PHE 90 Cb 0.57 -3.03 -0.07 0.00 -0.94 0.00 0.00 39.48 36.01 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 -1.79 0.11 0.00 4.37 2.47 0.14 -4.98 114.94 115.26 1m9g s ASN 91 Ca 0.12 -0.76 0.00 0.00 0.42 0.00 0.00 52.86 52.64 1m9g s ASN 91 Cb -0.03 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 40.13 1m9g s ASN 91 CO 0.46 -0.78 0.00 0.61 -3.72 0.00 0.00 177.10 173.66 1m9g n GLY 92 N -0.11 0.92 3.77 1.21 0.00 -1.26 -0.92 105.19 108.79 1m9g n GLY 92 Ca -0.12 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 2.03 -0.12 1.61 0.04 -1.26 -5.09 135.00 132.21 1m9g s PRO 93 Ca 0.00 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1m9g s PRO 93 Cb 0.00 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1m9g s PRO 93 CO 0.00 -1.74 -0.14 0.08 0.04 0.00 0.00 177.00 175.24 1m9g s VAL 94 N -2.97 2.94 0.91 -0.36 1.01 0.33 -5.01 120.40 117.25 1m9g s VAL 94 Ca 0.61 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1m9g s VAL 94 Cb -0.17 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.13 1m9g s VAL 94 CO 0.56 0.53 1.10 -2.16 0.00 0.00 0.00 175.10 175.13 1m9g s PRO 95 N 0.32 1.14 0.76 2.72 0.04 -1.26 -2.59 135.00 136.13 1m9g s PRO 95 Ca -0.11 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 1m9g s PRO 95 Cb -0.16 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.62 1m9g s PRO 95 CO 0.06 -2.28 1.11 -1.25 0.04 0.00 0.00 177.00 174.68 1m9g s PRO 96 N -5.01 2.24 0.00 0.56 0.04 -1.26 -4.70 135.00 126.87 1m9g s PRO 96 Ca 0.64 1.28 0.20 0.00 0.04 0.00 0.00 61.00 63.15 1m9g s PRO 96 Cb -0.17 -1.89 1.18 0.00 0.04 0.00 0.00 34.50 33.66 1m9g s PRO 96 CO 0.56 -1.67 1.57 -0.35 0.04 0.00 0.00 177.00 177.16