#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9g n GLY 2 N 0.00 -1.93 3.45 3.17 0.00 -1.26 -4.93 105.19 103.69 1m9g n GLY 2 Ca 0.00 0.55 -0.28 0.00 0.00 0.00 0.00 46.02 46.29 1m9g n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m9g s GLU 3 N -0.41 -1.31 0.73 1.61 8.01 -1.26 -3.25 118.70 122.82 1m9g s GLU 3 Ca 0.00 0.80 -0.12 0.00 0.01 0.00 0.00 54.97 55.66 1m9g s GLU 3 Cb 0.00 -1.51 0.04 0.00 -4.31 0.00 0.00 34.13 28.35 1m9g s GLU 3 CO 0.00 -3.98 1.10 -1.58 0.01 0.00 0.00 175.26 170.81 1m9g s TRP 4 N -2.39 2.59 0.28 1.61 0.52 -1.26 -4.57 118.94 115.73 1m9g s TRP 4 Ca 0.69 1.55 -0.02 0.00 0.02 0.00 0.00 56.10 58.34 1m9g s TRP 4 Cb -0.25 -3.09 -0.02 0.00 -1.15 0.00 0.00 33.47 28.96 1m9g s TRP 4 CO 0.65 -1.76 0.34 -2.00 0.02 0.00 0.00 176.95 174.21 1m9g s GLU 5 N -4.60 1.61 0.20 4.98 2.56 0.53 -4.96 118.70 119.03 1m9g s GLU 5 Ca 0.63 -1.67 -0.25 0.00 0.00 0.00 0.00 54.97 53.68 1m9g s GLU 5 Cb -0.18 0.38 -0.08 0.00 2.00 0.00 0.00 34.13 36.24 1m9g s GLU 5 CO 0.50 -0.62 0.81 0.96 -0.56 0.00 0.00 175.26 176.35 1m9g s ILE 6 N -3.63 4.33 -0.53 -3.70 -4.36 -1.26 -1.29 121.20 110.76 1m9g s ILE 6 Ca 0.33 1.72 -0.04 0.00 -0.26 0.00 0.00 60.65 62.40 1m9g s ILE 6 Cb 0.02 -4.12 0.09 0.00 1.25 0.00 0.00 42.46 39.70 1m9g s ILE 6 CO 0.17 0.44 2.69 0.00 0.24 0.00 0.00 174.94 178.48 1m9g n ILE 7 N 1.35 3.45 -2.85 8.37 0.00 -1.23 -4.83 119.36 123.62 1m9g n ILE 7 Ca -0.04 -3.18 -0.43 0.00 0.00 0.00 0.00 62.75 59.11 1m9g n ILE 7 Cb 0.49 -1.59 -0.04 0.00 0.00 0.00 0.00 39.64 38.50 1m9g n ILE 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1m9g s ASP 8 N 0.24 6.32 0.27 9.51 2.15 -1.26 -4.87 116.67 129.03 1m9g s ASP 8 Ca 0.58 -0.42 -0.09 0.00 0.43 0.00 0.00 52.55 53.05 1m9g s ASP 8 Cb 0.38 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 40.60 1m9g s ASP 8 CO -0.23 -1.24 0.52 -0.38 -0.17 0.00 0.00 175.17 173.67 1m9g n ILE 9 N 6.16 0.00 0.00 4.11 2.08 -1.26 -5.12 119.36 125.33 1m9g n ILE 9 Ca 0.01 -0.78 0.00 0.00 0.56 0.00 0.00 62.75 62.54 1m9g n ILE 9 Cb 0.47 0.71 0.00 0.00 -0.75 0.00 0.00 39.64 40.07 1m9g n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1m9g n GLY 10 N -0.38 -0.07 0.25 7.39 0.00 -1.26 -4.92 105.19 106.20 1m9g n GLY 10 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1m9g n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m9g h PRO 11 N 0.00 -0.52 -0.05 1.61 0.13 -2.00 -1.47 132.00 129.70 1m9g h PRO 11 Ca 0.00 0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1m9g h PRO 11 Cb 0.00 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1m9g h PRO 11 CO 0.00 -0.34 -0.07 0.35 -0.23 0.00 0.00 178.00 177.71 1m9g h PHE 12 N -0.54 -0.16 -0.53 1.56 3.04 -1.98 0.32 116.94 118.66 1m9g h PHE 12 Ca -0.04 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1m9g h PHE 12 Cb 0.44 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 1m9g h PHE 12 CO -0.09 -0.10 0.30 0.00 -2.02 0.00 0.00 178.31 176.40 1m9g h THR 13 N -0.09 1.17 -0.85 4.41 1.03 -1.91 -0.05 112.91 116.62 1m9g h THR 13 Ca 0.05 -0.41 0.05 0.00 -0.01 0.00 0.00 66.41 66.09 1m9g h THR 13 Cb 0.16 0.48 -0.05 0.00 -1.07 0.00 0.00 68.15 67.67 1m9g h THR 13 CO -0.11 0.18 0.55 1.56 -0.01 0.00 0.00 175.52 177.69 1m9g h GLN 14 N 0.70 0.97 0.32 0.00 7.50 -0.69 -0.56 115.11 123.35 1m9g h GLN 14 Ca 0.19 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.27 1m9g h GLN 14 Cb 0.02 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.32 1m9g h GLN 14 CO -0.03 0.64 -0.20 -0.97 -1.50 0.00 0.00 178.83 176.77 1m9g h ASN 15 N 1.00 -0.51 -0.41 1.46 -1.24 0.14 0.13 115.58 116.15 1m9g h ASN 15 Ca 0.35 0.03 0.08 0.00 0.71 0.00 0.00 56.30 57.47 1m9g h ASN 15 Cb 0.12 0.15 -0.08 0.00 0.73 0.00 0.00 38.32 39.25 1m9g h ASN 15 CO -0.12 -0.32 -0.08 -0.07 -1.29 0.00 0.00 177.43 175.55 1m9g h LEU 16 N -0.51 -0.33 -0.45 0.34 4.07 -0.94 0.21 115.31 117.70 1m9g h LEU 16 Ca -0.03 0.12 0.06 0.00 0.08 0.00 0.00 57.88 58.10 1m9g h LEU 16 Cb 0.42 0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.34 1m9g h LEU 16 CO 0.03 -0.12 0.15 0.00 -1.08 0.00 0.00 178.44 177.43 1m9g h ALA 17 N 1.40 0.54 0.22 1.53 0.00 -0.52 0.61 119.26 123.04 1m9g h ALA 17 Ca 0.20 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1m9g h ALA 17 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1m9g h ALA 17 CO -0.40 -0.24 -0.11 0.87 0.00 0.00 0.00 179.25 179.37 1m9g h LYS 18 N 0.32 -0.29 -0.79 0.00 1.79 -0.47 -3.22 116.57 113.90 1m9g h LYS 18 Ca 0.21 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.87 1m9g h LYS 18 Cb 0.22 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 30.79 1m9g h LYS 18 CO -0.22 -0.02 -0.14 0.35 -1.08 0.00 0.00 179.45 178.33 1m9g h PHE 19 N -0.55 -0.32 -0.87 -1.35 3.57 -0.08 0.32 116.94 117.67 1m9g h PHE 19 Ca -0.03 0.07 0.22 0.00 3.53 0.00 0.00 57.97 61.76 1m9g h PHE 19 Cb 0.40 0.26 -0.13 0.00 2.79 0.00 0.00 35.95 39.28 1m9g h PHE 19 CO 0.01 -0.32 0.30 0.00 -2.23 0.00 0.00 178.31 176.06 1m9g h ALA 20 N 1.78 1.33 0.00 2.41 0.00 -0.90 0.07 119.26 123.95 1m9g h ALA 20 Ca 0.40 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.43 1m9g h ALA 20 Cb 0.65 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1m9g h ALA 20 CO -0.79 -0.41 -0.83 0.28 0.00 0.00 0.00 179.25 177.50 1m9g n VAL 21 N -5.14 1.46 0.05 0.00 0.31 0.59 -3.73 118.33 111.86 1m9g n VAL 21 Ca 0.21 0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.57 1m9g n VAL 21 Cb 0.66 -2.28 -0.06 0.00 -0.91 0.00 0.00 33.84 31.25 1m9g n VAL 21 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1m9g h ASP 22 N -1.00 -0.96 -0.48 4.52 3.58 -0.50 0.53 116.42 122.10 1m9g h ASP 22 Ca -0.12 0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1m9g h ASP 22 Cb 0.80 0.36 -0.04 0.00 1.72 0.00 0.00 39.33 42.16 1m9g h ASP 22 CO -0.07 -0.32 0.24 -0.08 -2.88 0.00 0.00 179.24 176.13 1m9g h GLU 23 N -0.42 0.46 -0.56 0.28 4.22 -1.16 0.13 114.58 117.54 1m9g h GLU 23 Ca 0.00 -0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.52 1m9g h GLU 23 Cb 0.44 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.47 1m9g h GLU 23 CO -0.19 0.30 -0.30 1.49 -2.18 0.00 0.00 179.01 178.14 1m9g h GLU 24 N 0.47 -0.14 -0.33 1.92 4.22 -1.56 -1.19 114.58 117.97 1m9g h GLU 24 Ca 0.21 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.67 1m9g h GLU 24 Cb 0.12 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1m9g h GLU 24 CO -0.15 -0.10 0.21 -0.97 -2.18 0.00 0.00 179.01 175.82 1m9g h ASN 25 N -0.15 0.36 -0.95 1.04 -0.73 0.92 0.46 115.58 116.53 1m9g h ASN 25 Ca 0.23 -0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.43 1m9g h ASN 25 Cb 0.53 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 38.98 1m9g h ASN 25 CO -0.64 0.26 0.62 0.07 -0.37 0.00 0.00 177.43 177.37 1m9g h LYS 26 N 0.43 1.18 0.00 6.67 5.09 -0.10 -3.31 116.57 126.54 1m9g h LYS 26 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.79 1m9g h LYS 26 Cb -0.04 -0.27 0.00 0.00 0.10 0.00 0.00 32.23 32.02 1m9g h LYS 26 CO -0.03 0.78 -0.37 0.82 -2.09 0.00 0.00 179.45 178.55 1m9g h ILE 27 N 1.22 0.00 -1.33 0.07 2.04 -0.95 -3.50 117.51 115.05 1m9g h ILE 27 Ca 0.37 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1m9g h ILE 27 Cb -0.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1m9g h ILE 27 CO -0.11 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.65 1m9g n GLY 28 N 1.66 0.64 0.00 5.37 0.00 0.16 -5.07 105.19 107.95 1m9g n GLY 28 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.67 0.00 -0.13 1.61 1.13 -1.26 -4.83 117.38 113.24 1m9g n GLN 29 Ca 0.00 0.41 -0.27 0.00 -1.94 0.00 0.00 57.00 55.20 1m9g n GLN 29 Cb 0.28 -0.94 -0.11 0.00 0.11 0.00 0.00 30.24 29.58 1m9g n GLN 29 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1m9g n TYR 30 N -1.72 0.26 0.00 1.08 4.11 -1.26 -5.12 117.16 114.51 1m9g n TYR 30 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 1m9g n TYR 30 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 39.34 38.31 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 1.41 2.13 3.85 -7.48 0.00 -1.26 -5.07 105.19 98.77 1m9g n GLY 31 Ca -0.49 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1m9g n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1m9g s ARG 32 N -5.17 3.94 0.00 1.61 3.00 -1.26 -5.11 118.95 115.97 1m9g s ARG 32 Ca 0.00 0.47 0.00 0.00 -1.00 0.00 0.00 55.73 55.20 1m9g s ARG 32 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 34.95 32.18 1m9g s ARG 32 CO 0.00 0.38 0.00 1.28 0.00 0.00 0.00 175.30 176.96 1m9g n LEU 33 N 0.34 0.00 -4.91 -0.88 4.32 -1.26 -5.05 117.00 109.57 1m9g n LEU 33 Ca -0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.69 1m9g n LEU 33 Cb 0.52 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.39 1m9g n LEU 33 CO 0.43 0.00 0.70 0.28 -1.22 0.00 0.00 177.39 177.58 1m9g s THR 34 N 0.00 2.70 -1.19 -5.08 -1.32 -1.26 -4.92 115.64 104.57 1m9g s THR 34 Ca 0.00 0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 60.31 1m9g s THR 34 Cb 0.00 -3.19 -0.06 0.00 -1.51 0.00 0.00 72.50 67.74 1m9g s THR 34 CO 0.00 -0.23 1.90 -0.36 -2.21 0.00 0.00 174.62 173.72 1m9g s PHE 35 N -3.35 2.07 0.00 9.09 0.08 -1.26 -4.80 117.98 119.81 1m9g s PHE 35 Ca 0.59 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.81 1m9g s PHE 35 Cb -0.11 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.23 1m9g s PHE 35 CO 0.48 -1.31 0.00 0.09 -0.10 0.00 0.00 175.22 174.38 1m9g n ASN 36 N 13.51 0.00 0.00 1.36 3.02 -1.26 -5.13 115.26 126.76 1m9g n ASN 36 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1m9g n ASN 36 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1m9g n ASN 36 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1m9g n LYS 37 N 0.00 -2.09 -5.02 3.52 2.85 -1.22 -5.07 118.16 111.13 1m9g n LYS 37 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 1m9g n LYS 37 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 1m9g n LYS 37 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1m9g s VAL 38 N -2.51 2.67 0.84 0.58 0.11 -1.26 -0.47 120.40 120.35 1m9g s VAL 38 Ca 0.00 -0.91 -0.11 0.00 -2.93 0.00 0.00 61.98 58.03 1m9g s VAL 38 Cb 0.00 -2.01 0.09 0.00 -1.53 0.00 0.00 36.38 32.93 1m9g s VAL 38 CO 0.00 0.56 1.10 0.27 -3.33 0.00 0.00 175.10 173.70 1m9g s ILE 39 N -0.71 2.89 0.15 7.04 -4.36 -0.75 -4.86 121.20 120.60 1m9g s ILE 39 Ca 0.11 0.29 -0.21 0.00 -0.26 0.00 0.00 60.65 60.58 1m9g s ILE 39 Cb -0.10 -2.93 0.06 0.00 1.25 0.00 0.00 42.46 40.74 1m9g s ILE 39 CO 0.00 -0.38 0.54 -0.13 0.24 0.00 0.00 174.94 175.22 1m9g s ARG 40 N -5.06 1.22 0.61 0.37 0.52 -1.26 -4.61 118.95 110.72 1m9g s ARG 40 Ca 0.62 -0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 55.12 1m9g s ARG 40 Cb -0.16 0.56 -0.03 0.00 0.52 0.00 0.00 34.95 35.84 1m9g s ARG 40 CO 0.55 -0.52 1.11 -1.25 0.02 0.00 0.00 175.30 175.21 1m9g s PRO 41 N -3.76 3.07 0.36 3.54 0.04 -1.26 -5.19 135.00 131.80 1m9g s PRO 41 Ca 0.02 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1m9g s PRO 41 Cb -0.00 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1m9g s PRO 41 CO -0.13 -1.04 0.00 0.00 0.04 0.00 0.00 177.00 175.87 1m9g s MET 43 N -3.30 0.89 0.22 0.00 1.75 -1.04 -3.49 119.30 114.35 1m9g s MET 43 Ca 0.00 -1.12 0.00 0.00 -1.25 0.00 0.00 55.69 53.33 1m9g s MET 43 Cb 0.00 -0.74 -0.05 0.00 2.84 0.00 0.00 34.83 36.88 1m9g s MET 43 CO 0.00 0.14 0.10 -1.59 -0.65 0.00 0.00 175.02 173.03 1m9g s LYS 44 N -2.42 1.29 0.02 4.11 -2.85 -0.41 -0.53 119.74 118.95 1m9g s LYS 44 Ca 0.04 -1.68 -0.01 0.00 -1.00 0.00 0.00 55.97 53.32 1m9g s LYS 44 Cb -0.06 -0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.69 1m9g s LYS 44 CO 0.02 -0.32 0.04 0.36 0.10 0.00 0.00 175.35 175.55 1m9g n LYS 45 N -0.36 0.05 -4.87 1.78 0.00 0.20 -0.35 118.16 114.62 1m9g n LYS 45 Ca 0.00 -0.11 -0.33 0.00 -0.00 0.00 0.00 58.31 57.88 1m9g n LYS 45 Cb 0.66 0.14 -0.14 0.00 -0.00 0.00 0.00 35.03 35.68 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 -2.88 2.93 0.01 0.58 -1.32 -1.20 -0.46 115.64 113.30 1m9g s THR 46 Ca 0.01 -0.73 -0.17 0.00 -1.21 0.00 0.00 61.69 59.59 1m9g s THR 46 Cb -0.00 -2.19 -0.06 0.00 -1.51 0.00 0.00 72.50 68.74 1m9g s THR 46 CO 0.01 0.55 0.49 -0.51 -2.21 0.00 0.00 174.62 172.95 1m9g s ILE 47 N -0.00 4.94 0.15 5.08 2.07 0.29 -4.90 121.20 128.84 1m9g s ILE 47 Ca -0.04 1.03 0.04 0.00 -1.41 0.00 0.00 60.65 60.27 1m9g s ILE 47 Cb -0.14 -3.81 -0.04 0.00 0.13 0.00 0.00 42.46 38.60 1m9g s ILE 47 CO 0.04 0.52 0.16 -0.31 -1.91 0.00 0.00 174.94 173.44 1m9g s TYR 48 N -0.76 3.22 -1.29 3.50 2.02 -1.26 -3.12 117.35 119.65 1m9g s TYR 48 Ca 0.27 0.02 -0.17 0.00 -0.37 0.00 0.00 57.07 56.81 1m9g s TYR 48 Cb -0.18 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1m9g s TYR 48 CO 0.15 0.52 0.54 -0.85 -1.57 0.00 0.00 175.55 174.34 1m9g n GLU 49 N -0.32 -1.35 -1.68 -0.62 0.28 -0.77 -4.90 120.64 111.29 1m9g n GLU 49 Ca -0.08 0.26 -0.35 0.00 -0.16 0.00 0.00 57.16 56.84 1m9g n GLU 49 Cb 0.54 -3.62 0.06 0.00 1.43 0.00 0.00 31.44 29.86 1m9g n GLU 49 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1m9g s ASN 50 N -3.85 4.70 -0.84 -1.84 3.84 -1.17 -4.79 114.94 110.98 1m9g s ASN 50 Ca 0.29 2.29 -0.24 0.00 0.21 0.00 0.00 52.86 55.42 1m9g s ASN 50 Cb -0.14 -2.58 -0.17 0.00 -0.55 0.00 0.00 41.25 37.81 1m9g s ASN 50 CO 0.93 -1.92 2.31 1.21 -2.79 0.00 0.00 177.10 176.84 1m9g n GLU 51 N -2.30 0.42 0.00 0.43 2.13 -1.26 -3.03 120.64 117.02 1m9g n GLU 51 Ca 0.13 -0.89 0.00 0.00 0.66 0.00 0.00 57.16 57.06 1m9g n GLU 51 Cb 0.50 -3.42 0.00 0.00 0.27 0.00 0.00 31.44 28.79 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 6.53 0.25 3.40 8.31 0.00 -1.26 -5.13 105.19 117.29 1m9g n GLY 52 Ca 0.47 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 1m9g n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1m9g s PHE 53 N 0.00 -0.45 0.00 1.61 5.36 -1.17 -5.05 117.98 118.28 1m9g s PHE 53 Ca 0.00 0.31 -0.05 0.00 -0.96 0.00 0.00 56.93 56.23 1m9g s PHE 53 Cb 0.00 0.44 -0.21 0.00 -0.34 0.00 0.00 43.02 42.92 1m9g s PHE 53 CO 0.00 -0.76 2.99 2.89 -1.46 0.00 0.00 175.22 178.87 1m9g n ARG 54 N -0.11 1.60 -4.22 10.12 1.85 -1.26 -3.92 116.66 120.72 1m9g n ARG 54 Ca -0.17 -0.76 -0.26 0.00 -1.00 0.00 0.00 57.85 55.66 1m9g n ARG 54 Cb 0.63 -1.85 -0.07 0.00 -1.05 0.00 0.00 32.46 30.12 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 1.25 2.41 -0.16 2.89 2.12 -1.26 -4.57 118.70 121.38 1m9g s GLU 55 Ca 0.51 -1.17 -0.29 0.00 0.36 0.00 0.00 54.97 54.38 1m9g s GLU 55 Cb 0.24 -2.33 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 1m9g s GLU 55 CO 0.00 0.43 1.43 0.42 -0.54 0.00 0.00 175.26 177.00 1m9g s ILE 56 N -1.87 3.98 -0.16 -3.70 1.09 -1.26 -1.84 121.20 117.44 1m9g s ILE 56 Ca 0.29 1.17 -0.22 0.00 -1.10 0.00 0.00 60.65 60.78 1m9g s ILE 56 Cb -0.09 -3.83 -0.19 0.00 -1.06 0.00 0.00 42.46 37.29 1m9g s ILE 56 CO 0.19 -0.19 0.43 0.50 -0.10 0.00 0.00 174.94 175.77 1m9g h LYS 57 N 9.13 0.00 0.00 2.79 3.11 -1.87 -3.45 116.57 126.27 1m9g h LYS 57 Ca -0.31 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1m9g h LYS 57 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1m9g h LYS 57 CO 0.98 0.82 0.00 0.41 -2.81 0.00 0.00 179.45 178.85 1m9g n GLY 58 N 1.57 -0.02 3.84 5.01 0.00 -1.22 -0.25 105.19 114.11 1m9g n GLY 58 Ca -0.16 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.76 3.42 -0.01 1.61 2.02 -1.26 -0.54 117.35 118.83 1m9g s TYR 59 Ca 0.00 1.44 0.01 0.00 -0.37 0.00 0.00 57.07 58.14 1m9g s TYR 59 Cb 0.00 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.75 1m9g s TYR 59 CO 0.00 -0.55 -0.02 -1.21 -1.57 0.00 0.00 175.55 172.19 1m9g s GLU 60 N -4.32 0.21 -0.25 -0.62 2.02 0.40 0.25 118.70 116.38 1m9g s GLU 60 Ca 0.59 -0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.49 1m9g s GLU 60 Cb -0.11 -0.23 0.03 0.00 0.10 0.00 0.00 34.13 33.92 1m9g s GLU 60 CO 0.37 0.03 -0.04 0.71 0.02 0.00 0.00 175.26 176.34 1m9g s TYR 61 N 0.09 3.08 -0.46 1.61 1.51 0.24 -0.63 117.35 122.80 1m9g s TYR 61 Ca -0.01 -1.51 -0.16 0.00 -1.01 0.00 0.00 57.07 54.39 1m9g s TYR 61 Cb -0.03 -2.08 0.06 0.00 -0.11 0.00 0.00 41.96 39.80 1m9g s TYR 61 CO -0.00 -0.72 0.38 -1.14 -1.11 0.00 0.00 175.55 172.96 1m9g s GLN 62 N 1.34 2.98 0.08 -0.62 0.74 0.31 -1.38 119.66 123.12 1m9g s GLN 62 Ca 0.00 -1.23 0.07 0.00 0.05 0.00 0.00 55.36 54.25 1m9g s GLN 62 Cb -0.17 -4.09 -0.03 0.00 1.10 0.00 0.00 33.01 29.82 1m9g s GLN 62 CO -0.04 -0.96 -0.18 -0.48 -0.55 0.00 0.00 175.29 173.09 1m9g s LEU 63 N 1.70 2.27 -0.41 3.68 0.05 -0.21 -2.49 118.68 123.27 1m9g s LEU 63 Ca 0.05 -0.63 -0.07 0.00 0.05 0.00 0.00 54.13 53.52 1m9g s LEU 63 Cb -0.23 -0.73 0.09 0.00 -2.05 0.00 0.00 46.19 43.27 1m9g s LEU 63 CO 0.08 0.01 0.24 -0.31 -0.55 0.00 0.00 176.35 175.82 1m9g s TYR 64 N -1.16 3.41 0.02 3.48 1.51 -1.26 -0.14 117.35 123.21 1m9g s TYR 64 Ca 0.03 -1.84 -0.25 0.00 -1.01 0.00 0.00 57.07 54.00 1m9g s TYR 64 Cb -0.10 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.67 1m9g s TYR 64 CO 0.03 -0.90 0.78 0.54 -1.11 0.00 0.00 175.55 174.89 1m9g s VAL 65 N 1.33 4.80 -0.17 0.71 0.11 -0.13 -1.81 120.40 125.24 1m9g s VAL 65 Ca 0.04 1.65 -0.21 0.00 -2.93 0.00 0.00 61.98 60.53 1m9g s VAL 65 Cb -0.23 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.46 1m9g s VAL 65 CO -0.00 0.32 0.61 -0.47 -3.33 0.00 0.00 175.10 172.23 1m9g s TYR 66 N 0.21 3.42 -0.12 1.54 5.04 0.38 -0.97 117.35 126.85 1m9g s TYR 66 Ca 0.40 0.96 -0.30 0.00 -2.44 0.00 0.00 57.07 55.69 1m9g s TYR 66 Cb -0.20 -2.76 0.09 0.00 0.35 0.00 0.00 41.96 39.44 1m9g s TYR 66 CO 0.23 -0.08 0.81 0.00 -1.34 0.00 0.00 175.55 175.16 1m9g s ALA 67 N 1.55 -1.84 -0.28 3.97 0.00 -0.32 -3.46 121.76 121.38 1m9g s ALA 67 Ca 0.29 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1m9g s ALA 67 Cb -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1m9g s ALA 67 CO 0.11 -0.34 0.00 0.45 0.00 0.00 0.00 175.76 175.99 1m9g n SER 68 N 1.12 -5.77 -1.64 0.00 2.88 -1.26 -0.45 113.62 108.50 1m9g n SER 68 Ca -0.15 0.07 -0.20 0.00 -1.33 0.00 0.00 58.87 57.25 1m9g n SER 68 Cb 0.57 -3.50 -0.07 0.00 -0.75 0.00 0.00 64.21 60.45 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 -0.98 -5.45 -4.74 -3.46 2.03 -1.26 -5.01 116.55 97.68 1m9g n ASP 69 Ca -0.03 0.42 -0.24 0.00 0.52 0.00 0.00 54.79 55.46 1m9g n ASP 69 Cb 0.50 -4.67 -0.07 0.00 -0.72 0.00 0.00 41.12 36.15 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 -3.89 2.26 -0.26 -0.67 3.01 0.41 -4.96 119.74 115.64 1m9g s LYS 70 Ca 0.00 -1.76 -0.10 0.00 -1.01 0.00 0.00 55.97 53.10 1m9g s LYS 70 Cb 0.00 -2.04 -0.04 0.00 -1.01 0.00 0.00 37.83 34.73 1m9g s LYS 70 CO 0.00 -0.06 0.14 -0.51 0.51 0.00 0.00 175.35 175.43 1m9g s LEU 71 N -3.90 3.85 -0.24 3.17 2.01 -1.15 -1.17 118.68 121.25 1m9g s LEU 71 Ca 0.41 -0.05 -0.08 0.00 0.01 0.00 0.00 54.13 54.42 1m9g s LEU 71 Cb 0.02 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 44.13 1m9g s LEU 71 CO 0.23 -0.02 0.08 -0.36 1.01 0.00 0.00 176.35 177.29 1m9g s PHE 72 N 1.56 3.14 0.30 0.29 0.08 -0.15 -0.89 117.98 122.31 1m9g s PHE 72 Ca 0.07 -0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 1m9g s PHE 72 Cb -0.15 -2.22 -0.10 0.00 -0.57 0.00 0.00 43.02 39.98 1m9g s PHE 72 CO 0.08 -0.21 1.26 0.50 -0.10 0.00 0.00 175.22 176.74 1m9g s ARG 73 N 1.34 4.43 -0.21 0.44 3.52 0.35 -0.95 118.95 127.86 1m9g s ARG 73 Ca 0.05 2.10 -0.04 0.00 -0.13 0.00 0.00 55.73 57.71 1m9g s ARG 73 Cb -0.15 -3.11 0.07 0.00 -1.56 0.00 0.00 34.95 30.20 1m9g s ARG 73 CO 0.04 -0.10 0.08 0.00 -0.81 0.00 0.00 175.30 174.51 1m9g s ALA 74 N -0.97 0.72 -0.38 6.12 0.00 0.80 -0.28 121.76 127.77 1m9g s ALA 74 Ca 0.49 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 1m9g s ALA 74 Cb -0.38 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.57 1m9g s ALA 74 CO 0.48 -1.32 0.22 -0.51 0.00 0.00 0.00 175.76 174.64 1m9g s ASP 75 N 2.01 5.80 -0.14 0.00 1.11 -1.25 -1.04 116.67 123.16 1m9g s ASP 75 Ca 0.03 -0.98 -0.16 0.00 0.18 0.00 0.00 52.55 51.62 1m9g s ASP 75 Cb -0.16 -2.05 -0.04 0.00 1.07 0.00 0.00 42.92 41.74 1m9g s ASP 75 CO -0.16 -0.40 0.40 -0.63 1.18 0.00 0.00 175.17 175.56 1m9g s ILE 76 N 1.57 5.24 0.17 0.77 -1.09 -0.48 -1.29 121.20 126.09 1m9g s ILE 76 Ca 0.02 0.77 0.04 0.00 -2.23 0.00 0.00 60.65 59.26 1m9g s ILE 76 Cb -0.19 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1m9g s ILE 76 CO 0.07 0.35 0.20 -0.55 -1.23 0.00 0.00 174.94 173.78 1m9g s SER 77 N 0.55 5.82 0.36 3.58 0.15 -1.12 -0.59 113.70 122.44 1m9g s SER 77 Ca 0.22 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.93 1m9g s SER 77 Cb -0.14 -1.61 -0.07 0.00 -1.71 0.00 0.00 66.02 62.49 1m9g s SER 77 CO 0.07 0.05 -0.07 -1.61 1.20 0.00 0.00 173.24 172.89 1m9g s GLU 78 N -3.23 1.86 -0.56 5.44 2.02 0.14 -0.40 118.70 123.97 1m9g s GLU 78 Ca 0.32 -1.96 -0.17 0.00 0.02 0.00 0.00 54.97 53.18 1m9g s GLU 78 Cb -0.10 -1.71 0.11 0.00 0.10 0.00 0.00 34.13 32.54 1m9g s GLU 78 CO 0.25 0.10 0.59 0.34 0.02 0.00 0.00 175.26 176.56 1m9g s ASP 79 N -3.64 6.19 0.17 -0.19 2.15 -0.16 -3.46 116.67 117.73 1m9g s ASP 79 Ca 0.33 -1.59 0.04 0.00 0.43 0.00 0.00 52.55 51.76 1m9g s ASP 79 Cb 0.04 -2.25 0.48 0.00 -0.30 0.00 0.00 42.92 40.89 1m9g s ASP 79 CO 0.17 -0.96 0.81 0.00 -0.17 0.00 0.00 175.17 175.01 1m9g n TYR 80 N 5.74 0.41 -0.00 -5.34 9.36 0.65 -0.96 117.16 127.02 1m9g n TYR 80 Ca -0.12 0.62 0.23 0.00 3.32 0.00 0.00 57.90 61.95 1m9g n TYR 80 Cb 0.41 -0.93 0.72 0.00 -0.63 0.00 0.00 39.34 38.91 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 0.00 0.00 2.98 1.63 -1.93 -3.42 116.57 115.83 1m9g h LYS 81 Ca 0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 1m9g h LYS 81 Cb 0.79 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1m9g h LYS 81 CO -0.46 0.00 0.00 2.41 -3.45 0.00 0.00 179.45 177.95 1m9g n THR 82 N -3.93 0.00 0.00 1.00 -1.04 -0.14 -5.07 114.28 105.11 1m9g n THR 82 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1m9g n THR 82 Cb 0.75 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 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 -0.66 0.00 -1.57 -2.82 1.74 -0.64 -4.96 116.66 107.74 1m9g n ARG 83 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1m9g n ARG 83 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 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 0.00 1.78 -0.18 -0.13 0.00 -1.25 -4.80 107.32 102.74 1m9g s GLY 84 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.95 1m9g s GLY 84 CO 0.00 0.55 -0.18 0.50 0.00 0.00 0.00 173.10 173.96 1m9g s ARG 85 N -4.77 3.04 -0.06 2.90 3.00 -1.26 -0.99 118.95 120.81 1m9g s ARG 85 Ca 0.60 -0.81 -0.00 0.00 0.00 0.00 0.00 55.73 55.53 1m9g s ARG 85 Cb -0.16 -2.61 -0.03 0.00 0.00 0.00 0.00 34.95 32.15 1m9g s ARG 85 CO 0.51 -0.19 -0.02 0.15 0.00 0.00 0.00 175.30 175.75 1m9g s LYS 86 N 1.27 2.85 -0.80 3.54 -0.14 0.46 -5.00 119.74 121.92 1m9g s LYS 86 Ca 0.04 -0.51 -0.26 0.00 -1.36 0.00 0.00 55.97 53.88 1m9g s LYS 86 Cb -0.13 -2.69 0.01 0.00 -1.68 0.00 0.00 37.83 33.34 1m9g s LYS 86 CO -0.11 0.67 1.54 -1.17 -0.76 0.00 0.00 175.35 175.52 1m9g s LEU 87 N -1.05 3.27 0.00 3.17 0.20 -1.26 -2.79 118.68 120.23 1m9g s LEU 87 Ca 0.15 -0.54 0.09 0.00 0.69 0.00 0.00 54.13 54.51 1m9g s LEU 87 Cb -0.11 -2.56 0.05 0.00 -0.43 0.00 0.00 46.19 43.14 1m9g s LEU 87 CO 0.04 -2.00 0.73 0.18 -0.29 0.00 0.00 176.35 175.01 1m9g n LEU 88 N 10.63 1.58 -4.62 -0.68 7.99 -1.20 -5.01 117.00 125.69 1m9g n LEU 88 Ca 0.19 -0.93 -0.30 0.00 -0.01 0.00 0.00 56.01 54.96 1m9g n LEU 88 Cb 0.50 0.00 0.19 0.00 -0.11 0.00 0.00 43.42 43.99 1m9g n LEU 88 CO 0.68 0.31 0.62 0.00 -1.51 0.00 0.00 177.39 177.49 1m9g s ARG 89 N -0.90 0.42 -0.24 3.23 1.70 -0.41 -3.88 118.95 118.86 1m9g s ARG 89 Ca 0.10 1.04 -0.00 0.00 -0.47 0.00 0.00 55.73 56.39 1m9g s ARG 89 Cb 0.07 -1.69 -0.00 0.00 -0.57 0.00 0.00 34.95 32.76 1m9g s ARG 89 CO 0.14 -2.88 0.23 0.34 -1.08 0.00 0.00 175.30 172.05 1m9g n PHE 90 N -4.35 -0.92 -4.32 5.89 -0.00 -0.59 -4.84 117.46 108.33 1m9g n PHE 90 Ca 0.07 0.35 -0.17 0.00 -0.00 0.00 0.00 57.45 57.70 1m9g n PHE 90 Cb 0.54 -2.41 -0.10 0.00 -0.00 0.00 0.00 39.48 37.51 1m9g n PHE 90 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1m9g s ASN 91 N -2.41 1.23 0.00 -2.13 2.47 0.61 -4.95 114.94 109.75 1m9g s ASN 91 Ca 0.02 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.89 1m9g s ASN 91 Cb -0.00 0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.99 1m9g s ASN 91 CO 0.24 -0.75 0.00 0.61 -3.72 0.00 0.00 177.10 173.47 1m9g n GLY 92 N -0.48 0.86 3.57 1.21 0.00 -1.26 -0.50 105.19 108.59 1m9g n GLY 92 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.77 0.09 1.61 0.04 -1.26 -5.04 135.00 129.67 1m9g s PRO 93 Ca 0.00 0.37 0.04 0.00 0.04 0.00 0.00 61.00 61.45 1m9g s PRO 93 Cb 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 1m9g s PRO 93 CO 0.00 -3.50 -0.11 0.14 0.04 0.00 0.00 177.00 173.57 1m9g s VAL 94 N -2.78 0.98 0.85 -0.36 -7.23 -0.07 -4.97 120.40 106.83 1m9g s VAL 94 Ca 0.68 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 59.16 1m9g s VAL 94 Cb -0.17 -1.30 0.10 0.00 0.56 0.00 0.00 36.38 35.57 1m9g s VAL 94 CO 0.59 -0.49 1.09 -2.16 -0.31 0.00 0.00 175.10 173.82 1m9g s PRO 95 N -2.58 1.61 0.67 4.82 0.04 -1.26 -2.96 135.00 135.35 1m9g s PRO 95 Ca 0.04 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 1m9g s PRO 95 Cb -0.04 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1m9g s PRO 95 CO 0.01 -2.03 1.15 -1.25 0.04 0.00 0.00 177.00 174.92 1m9g s PRO 96 N -4.94 2.59 0.00 0.56 0.04 -1.26 -4.72 135.00 127.28 1m9g s PRO 96 Ca 0.63 1.57 0.14 0.00 0.04 0.00 0.00 61.00 63.38 1m9g s PRO 96 Cb -0.18 -1.91 0.85 0.00 0.04 0.00 0.00 34.50 33.31 1m9g s PRO 96 CO 0.57 -1.44 1.27 -0.35 0.04 0.00 0.00 177.00 177.08