#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ael n PHE 2 N 0.00 0.00 0.00 0.00 3.72 -1.26 -4.82 117.46 115.10 1ael n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ael n PHE 2 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1ael n PHE 2 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ael n ASP 3 N 0.00 0.00 0.00 4.37 5.75 -1.14 -4.63 116.55 120.90 1ael n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ael n ASP 3 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ael n GLY 4 N 0.00 0.36 3.95 6.12 0.00 0.59 -4.93 105.19 111.29 1ael n GLY 4 Ca 0.00 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 1ael n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ael s THR 5 N -1.89 4.36 0.00 2.61 -4.23 -1.26 0.28 115.64 115.50 1ael s THR 5 Ca 0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1ael s THR 5 Cb 0.00 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1ael s THR 5 CO 0.00 -0.39 0.00 0.79 -0.54 0.00 0.00 174.62 174.48 1ael n TRP 6 N -1.95 0.00 0.00 3.99 5.03 -1.26 -3.94 117.44 119.30 1ael n TRP 6 Ca -0.01 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.52 1ael n TRP 6 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.85 1ael n TRP 6 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1ael n LYS 7 N -0.14 0.00 -2.86 -0.99 5.02 -1.26 -1.02 118.16 116.91 1ael n LYS 7 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1ael n LYS 7 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1ael n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ael n VAL 8 N 0.00 -0.11 -0.32 -0.18 0.31 -1.13 -3.62 118.33 113.27 1ael n VAL 8 Ca 0.00 -2.24 0.27 0.00 -0.01 0.00 0.00 64.34 62.36 1ael n VAL 8 Cb 0.00 0.81 0.51 0.00 -0.91 0.00 0.00 33.84 34.25 1ael n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ael n ASP 9 N 0.96 0.23 -3.93 4.52 -0.08 0.21 -4.43 116.55 114.03 1ael n ASP 9 Ca 0.12 1.64 -0.09 0.00 -1.51 0.00 0.00 54.79 54.95 1ael n ASP 9 Cb 0.65 -0.75 -0.09 0.00 2.34 0.00 0.00 41.12 43.27 1ael n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ael s ARG 10 N -5.61 0.67 -0.30 -0.67 3.03 -0.92 -5.01 118.95 110.14 1ael s ARG 10 Ca -0.10 -0.88 -0.03 0.00 2.03 0.00 0.00 55.73 56.75 1ael s ARG 10 Cb 0.32 0.26 0.11 0.00 -1.03 0.00 0.00 34.95 34.61 1ael s ARG 10 CO 0.77 -0.18 0.14 1.21 -1.13 0.00 0.00 175.30 176.11 1ael s ASN 11 N -2.45 3.45 0.29 -2.89 3.84 -1.26 -3.66 114.94 112.25 1ael s ASN 11 Ca -0.00 -1.48 -0.16 0.00 0.21 0.00 0.00 52.86 51.43 1ael s ASN 11 Cb 0.02 -0.38 -0.09 0.00 -0.55 0.00 0.00 41.25 40.25 1ael s ASN 11 CO -0.07 -0.41 0.72 -1.61 -2.79 0.00 0.00 177.10 172.94 1ael s GLU 12 N 1.88 4.07 0.00 0.43 0.41 0.26 -3.71 118.70 122.03 1ael s GLU 12 Ca 0.11 0.71 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 1ael s GLU 12 Cb -0.17 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.60 1ael s GLU 12 CO -0.29 0.24 0.00 0.09 -0.49 0.00 0.00 175.26 174.81 1ael n ASN 13 N -0.02 -4.12 0.18 -0.19 5.03 -1.26 -1.87 115.26 113.01 1ael n ASN 13 Ca 0.02 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.57 1ael n ASN 13 Cb 0.52 -2.98 0.10 0.00 -1.02 0.00 0.00 39.78 36.40 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1ael h TYR 14 N 0.00 0.00 -0.10 3.10 3.20 -1.89 -2.95 116.97 118.34 1ael h TYR 14 Ca 0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1ael h TYR 14 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1ael h TYR 14 CO 0.43 0.08 -0.31 1.49 -1.64 0.00 0.00 178.16 178.21 1ael h GLU 15 N 0.00 0.38 0.00 1.82 4.57 -1.88 -3.12 114.58 116.35 1ael h GLU 15 Ca -0.01 -0.28 -0.15 0.00 -1.18 0.00 0.00 59.36 57.73 1ael h GLU 15 Cb 1.07 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1ael h GLU 15 CO 0.01 0.91 -0.74 -0.22 -1.18 0.00 0.00 179.01 177.79 1ael h LYS 16 N -0.06 0.00 -0.85 1.92 3.64 -1.99 -3.19 116.57 116.03 1ael h LYS 16 Ca -0.01 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1ael h LYS 16 Cb 0.94 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.70 1ael h LYS 16 CO 0.07 0.74 0.55 0.35 -2.27 0.00 0.00 179.45 178.89 1ael h PHE 17 N 0.00 0.84 0.04 1.91 3.04 -1.54 -1.42 116.94 119.81 1ael h PHE 17 Ca -0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1ael h PHE 17 Cb 1.46 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1ael h PHE 17 CO 0.00 0.36 -0.02 0.52 -2.02 0.00 0.00 178.31 177.15 1ael h MET 18 N 0.76 -0.05 -0.89 1.11 2.86 -1.62 -3.37 114.93 113.72 1ael h MET 18 Ca 0.41 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.22 1ael h MET 18 Cb 0.53 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 32.04 1ael h MET 18 CO -0.17 0.30 -0.28 1.49 1.06 0.00 0.00 176.91 179.31 1ael h GLU 19 N -0.99 -0.02 0.00 1.72 4.57 -1.46 -1.82 114.58 116.58 1ael h GLU 19 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1ael h GLU 19 Cb 0.38 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1ael h GLU 19 CO 0.01 -0.01 -0.13 0.87 -1.18 0.00 0.00 179.01 178.57 1ael h LYS 20 N -0.02 0.00 -0.12 1.92 1.57 -1.44 -2.60 116.57 115.88 1ael h LYS 20 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1ael h LYS 20 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1ael h LYS 20 CO -0.92 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 178.09 1ael n MET 21 N -3.80 1.47 0.00 3.15 0.00 -0.69 -4.82 117.12 112.44 1ael n MET 21 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 57.70 56.96 1ael n MET 21 Cb 0.23 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1ael n MET 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ael n GLY 22 N 0.98 0.71 3.56 3.17 0.00 -1.02 -4.87 105.19 107.73 1ael n GLY 22 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1ael n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ael s ILE 23 N -1.60 3.52 1.44 -0.61 1.09 -1.01 -4.90 121.20 119.13 1ael s ILE 23 Ca 0.00 0.36 -0.23 0.00 -1.10 0.00 0.00 60.65 59.68 1ael s ILE 23 Cb 0.00 -4.17 0.37 0.00 -1.06 0.00 0.00 42.46 37.60 1ael s ILE 23 CO 0.00 -1.07 0.92 0.20 -0.10 0.00 0.00 174.94 174.89 1ael s ASN 24 N 6.43 -1.22 0.53 3.58 0.01 -1.26 -4.28 114.94 118.73 1ael s ASN 24 Ca 0.60 0.85 0.32 0.00 -0.71 0.00 0.00 52.86 53.92 1ael s ASN 24 Cb -0.12 -1.20 1.21 0.00 0.41 0.00 0.00 41.25 41.54 1ael s ASN 24 CO 0.22 -5.46 1.93 -0.37 -1.51 0.00 0.00 177.10 171.90 1ael h VAL 25 N -3.49 0.00 -0.01 1.60 -1.51 -1.97 -3.27 116.25 107.61 1ael h VAL 25 Ca -0.43 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1ael h VAL 25 Cb 1.34 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 32.09 1ael h VAL 25 CO 0.27 0.00 0.16 -0.37 -1.23 0.00 0.00 177.57 176.40 1ael h VAL 26 N 0.00 0.02 0.00 7.19 -1.51 -2.02 0.92 116.25 120.85 1ael h VAL 26 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ael h VAL 26 Cb 0.59 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1ael h VAL 26 CO 0.00 0.00 -0.01 0.11 -1.23 0.00 0.00 177.57 176.44 1ael h LYS 27 N 0.00 0.00 -0.02 5.19 1.57 -1.93 -3.22 116.57 118.16 1ael h LYS 27 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1ael h LYS 27 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ael h LYS 27 CO -0.00 0.01 0.18 -0.09 -0.57 0.00 0.00 179.45 178.98 1ael h ARG 28 N 0.00 0.00 -0.10 3.15 9.65 0.67 0.35 114.38 128.10 1ael h ARG 28 Ca -0.00 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1ael h ARG 28 Cb 1.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1ael h ARG 28 CO 0.00 0.00 -0.69 0.87 2.80 0.00 0.00 179.97 182.96 1ael h LYS 29 N 0.00 0.44 0.00 0.20 6.56 -1.69 -3.33 116.57 118.74 1ael h LYS 29 Ca 0.01 -0.34 -0.19 0.00 -1.06 0.00 0.00 60.65 59.08 1ael h LYS 29 Cb 0.36 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.06 1ael h LYS 29 CO -0.00 0.96 -1.26 1.28 -2.06 0.00 0.00 179.45 178.38 1ael n LEU 30 N -3.87 1.87 -3.00 2.94 7.99 0.81 -5.06 117.00 118.68 1ael n LEU 30 Ca -0.04 0.46 -0.15 0.00 -0.01 0.00 0.00 56.01 56.27 1ael n LEU 30 Cb 0.68 -0.89 0.02 0.00 -0.11 0.00 0.00 43.42 43.11 1ael n LEU 30 CO 0.48 0.07 -0.02 0.61 -1.51 0.00 0.00 177.39 177.02 1ael n GLY 31 N 1.45 -1.00 3.35 -0.72 0.00 0.88 -3.72 105.19 105.44 1ael n GLY 31 Ca -0.28 1.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.73 1ael n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ael n ALA 32 N -0.32 -1.08 1.63 4.61 0.00 -1.26 -4.84 120.51 119.25 1ael n ALA 32 Ca 0.07 0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.84 1ael n ALA 32 Cb 0.51 -3.60 0.62 0.00 0.00 0.00 0.00 19.45 16.99 1ael n ALA 32 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ael n HIS 33 N -4.32 0.02 -2.00 0.00 -0.00 -1.24 -4.82 115.22 102.86 1ael n HIS 33 Ca -0.04 -0.01 -0.32 0.00 -0.00 0.00 0.00 57.72 57.35 1ael n HIS 33 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.52 1ael n HIS 33 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ael s ASP 34 N -1.93 5.12 -0.38 0.26 1.01 -1.26 -4.85 116.67 114.63 1ael s ASP 34 Ca 0.40 -0.07 -0.09 0.00 0.71 0.00 0.00 52.55 53.49 1ael s ASP 34 Cb 0.20 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.65 1ael s ASP 34 CO 0.33 -2.62 0.20 0.21 0.21 0.00 0.00 175.17 173.50 1ael s ASN 35 N 8.38 5.57 0.18 0.27 3.84 -1.26 -4.95 114.94 126.98 1ael s ASN 35 Ca 0.71 -1.26 0.03 0.00 0.21 0.00 0.00 52.86 52.55 1ael s ASN 35 Cb -0.10 -1.96 -0.05 0.00 -0.55 0.00 0.00 41.25 38.59 1ael s ASN 35 CO 0.11 -0.43 -0.03 -1.48 -2.79 0.00 0.00 177.10 172.48 1ael s LEU 36 N 1.45 2.25 -0.62 3.21 0.05 -1.26 -3.33 118.68 120.43 1ael s LEU 36 Ca 0.01 -1.15 -0.19 0.00 0.05 0.00 0.00 54.13 52.85 1ael s LEU 36 Cb -0.21 -0.19 0.10 0.00 -2.05 0.00 0.00 46.19 43.84 1ael s LEU 36 CO 0.04 -0.49 0.77 -0.75 -0.55 0.00 0.00 176.35 175.36 1ael s LYS 37 N -3.86 3.09 0.22 1.48 2.20 -1.25 -2.86 119.74 118.76 1ael s LYS 37 Ca 0.23 -1.28 -0.12 0.00 -0.36 0.00 0.00 55.97 54.44 1ael s LYS 37 Cb 0.05 -4.29 0.29 0.00 -1.51 0.00 0.00 37.83 32.37 1ael s LYS 37 CO 0.04 -1.60 1.64 1.25 -0.36 0.00 0.00 175.35 176.33 1ael h LEU 38 N 10.18 -0.45 -1.33 5.43 7.12 -1.27 0.21 115.31 135.20 1ael h LEU 38 Ca -0.27 0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1ael h LEU 38 Cb 1.08 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 1ael h LEU 38 CO 1.11 -0.17 -0.90 0.41 -0.13 0.00 0.00 178.44 178.75 1ael n THR 39 N -5.37 -7.98 -3.90 1.05 -1.04 -0.39 0.17 114.28 96.84 1ael n THR 39 Ca 0.09 2.77 -0.30 0.00 -2.04 0.00 0.00 64.05 64.57 1ael n THR 39 Cb 0.36 -3.92 -0.15 0.00 -1.82 0.00 0.00 70.33 64.79 1ael n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ael s ILE 40 N -1.44 1.43 -0.48 12.58 1.01 0.78 -1.70 121.20 133.39 1ael s ILE 40 Ca 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 60.65 59.20 1ael s ILE 40 Cb 0.00 -1.84 0.12 0.00 0.01 0.00 0.00 42.46 40.75 1ael s ILE 40 CO 0.00 -0.29 0.35 -0.89 0.00 0.00 0.00 174.94 174.11 1ael s THR 41 N 1.40 4.15 0.65 2.92 2.01 -1.20 0.22 115.64 125.79 1ael s THR 41 Ca -0.00 -1.86 -0.18 0.00 0.31 0.00 0.00 61.69 59.96 1ael s THR 41 Cb -0.18 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1ael s THR 41 CO -0.10 -0.78 1.24 1.67 -0.69 0.00 0.00 174.62 175.96 1ael n GLN 42 N 4.82 1.04 -3.27 4.92 -0.06 -1.26 -1.61 117.38 121.95 1ael n GLN 42 Ca -0.06 0.41 -0.07 0.00 -2.00 0.00 0.00 57.00 55.28 1ael n GLN 42 Cb 0.41 -2.47 -0.04 0.00 -4.06 0.00 0.00 30.24 24.07 1ael n GLN 42 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1ael s GLU 43 N -3.31 0.58 0.78 3.69 0.41 0.51 -4.85 118.70 116.52 1ael s GLU 43 Ca 0.82 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 1ael s GLU 43 Cb -0.38 -0.23 0.00 0.00 -1.78 0.00 0.00 34.13 31.74 1ael s GLU 43 CO 0.41 -1.11 0.00 0.41 -0.49 0.00 0.00 175.26 174.48 1ael n GLY 44 N 4.88 0.54 2.91 -1.39 0.00 -1.26 0.09 105.19 110.96 1ael n GLY 44 Ca 0.06 0.66 -0.29 0.00 0.00 0.00 0.00 46.02 46.45 1ael n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ael s ASN 45 N -4.00 4.65 0.00 1.61 0.01 -1.26 -5.00 114.94 110.94 1ael s ASN 45 Ca 0.00 -3.60 0.00 0.00 -0.71 0.00 0.00 52.86 48.55 1ael s ASN 45 Cb 0.00 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 40.03 1ael s ASN 45 CO 0.00 -0.13 0.00 1.17 -1.51 0.00 0.00 177.10 176.63 1ael n LYS 46 N 2.32 0.00 -3.67 -0.60 4.81 0.11 -4.13 118.16 117.00 1ael n LYS 46 Ca 0.15 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.51 1ael n LYS 46 Cb 0.34 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.30 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1ael s PHE 47 N -2.00 -0.78 -1.23 5.64 -0.12 -1.21 0.19 117.98 118.47 1ael s PHE 47 Ca 0.00 1.53 -0.20 0.00 -0.05 0.00 0.00 56.93 58.21 1ael s PHE 47 Cb 0.00 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1ael s PHE 47 CO 0.00 -0.45 1.86 2.41 -0.05 0.00 0.00 175.22 178.99 1ael n THR 48 N 4.91 2.93 -2.75 -4.49 -1.04 -0.63 -3.50 114.28 109.71 1ael n THR 48 Ca -0.15 -3.01 -0.31 0.00 -2.04 0.00 0.00 64.05 58.55 1ael n THR 48 Cb 0.52 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.72 1ael n THR 48 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ael s VAL 49 N 7.23 4.71 0.00 12.58 -7.23 0.18 -3.22 120.40 134.65 1ael s VAL 49 Ca 0.60 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.59 1ael s VAL 49 Cb 0.03 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.25 1ael s VAL 49 CO 0.10 -0.54 0.00 0.29 -0.31 0.00 0.00 175.10 174.64 1ael n LYS 50 N -1.30 0.00 0.00 4.82 5.02 0.45 -0.03 118.16 127.13 1ael n LYS 50 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1ael n LYS 50 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1ael n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ael n GLU 51 N 0.00 0.00 -3.14 1.97 2.13 0.74 -1.91 120.64 120.43 1ael n GLU 51 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1ael n GLU 51 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1ael n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1ael s SER 52 N 0.00 -0.18 0.00 4.31 0.01 -1.23 0.13 113.70 116.74 1ael s SER 52 Ca 0.00 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1ael s SER 52 Cb 0.00 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.32 1ael s SER 52 CO 0.00 -0.16 0.00 -1.54 0.41 0.00 0.00 173.24 171.95 1ael n SER 53 N 3.58 0.00 -0.72 2.44 3.41 -1.26 -3.80 113.62 117.28 1ael n SER 53 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1ael n SER 53 Cb 0.52 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 1ael n SER 53 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ael n ASN 54 N 0.00 1.73 0.02 4.04 2.85 -1.21 -4.17 115.26 118.52 1ael n ASN 54 Ca 0.00 -2.11 -0.02 0.00 -0.11 0.00 0.00 54.58 52.34 1ael n ASN 54 Cb 0.00 -0.52 -0.01 0.00 1.24 0.00 0.00 39.78 40.49 1ael n ASN 54 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ael n PHE 55 N 0.10 0.00 0.04 1.20 3.72 -1.26 -5.07 117.46 116.19 1ael n PHE 55 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1ael n PHE 55 Cb 0.39 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1ael n PHE 55 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1ael n ARG 56 N -3.57 0.00 0.00 -1.08 0.63 -1.26 -5.14 116.66 106.23 1ael n ARG 56 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1ael n ARG 56 Cb 0.16 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.07 1ael n ARG 56 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ael n ASN 57 N -2.85 0.00 0.00 6.15 4.13 -1.26 -4.57 115.26 116.85 1ael n ASN 57 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ael n ASN 57 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ael n ASN 57 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ael n ILE 58 N 0.00 0.00 -2.87 2.41 3.06 0.35 -4.95 119.36 117.36 1ael n ILE 58 Ca 0.00 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.84 1ael n ILE 58 Cb 0.00 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.14 1ael n ILE 58 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 1ael s ASP 59 N 0.00 7.10 -0.23 9.51 -4.77 -1.25 -3.49 116.67 123.54 1ael s ASP 59 Ca 0.00 1.34 -0.05 0.00 -3.30 0.00 0.00 52.55 50.54 1ael s ASP 59 Cb 0.00 -2.48 -0.01 0.00 -1.09 0.00 0.00 42.92 39.33 1ael s ASP 59 CO 0.00 -0.27 0.00 -0.69 0.70 0.00 0.00 175.17 174.91 1ael s VAL 60 N 1.39 3.74 -0.15 2.11 1.01 0.96 -4.95 120.40 124.51 1ael s VAL 60 Ca 0.43 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1ael s VAL 60 Cb -0.18 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1ael s VAL 60 CO 0.19 0.38 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 1ael s VAL 61 N 1.53 2.80 -0.29 2.92 1.01 -1.26 0.52 120.40 127.64 1ael s VAL 61 Ca 0.06 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1ael s VAL 61 Cb -0.15 -2.18 0.12 0.00 0.00 0.00 0.00 36.38 34.17 1ael s VAL 61 CO -0.01 0.52 0.81 0.72 0.00 0.00 0.00 175.10 177.15 1ael s PHE 62 N 0.66 -0.89 -0.72 5.22 -0.12 -1.23 -4.95 117.98 115.95 1ael s PHE 62 Ca -0.08 1.72 -0.18 0.00 -0.05 0.00 0.00 56.93 58.35 1ael s PHE 62 Cb -0.16 0.53 -0.16 0.00 -0.63 0.00 0.00 43.02 42.61 1ael s PHE 62 CO 0.02 -0.44 1.79 0.39 -0.05 0.00 0.00 175.22 176.93 1ael n GLU 63 N 4.30 0.09 0.00 1.99 1.02 -1.26 -3.35 120.64 123.42 1ael n GLU 63 Ca -0.18 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 1ael n GLU 63 Cb 0.57 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 64 N 14.56 0.00 -4.64 -4.62 4.77 -1.26 -4.37 117.00 121.44 1ael n LEU 64 Ca 0.29 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.91 1ael n LEU 64 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1ael n LEU 64 CO 0.58 0.00 -0.18 -0.83 -1.33 0.00 0.00 177.39 175.63 1ael s GLY 65 N 0.00 1.97 -0.07 -0.72 0.00 -1.21 -4.47 107.32 102.81 1ael s GLY 65 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 44.72 43.67 1ael s GLY 65 CO 0.00 0.44 0.30 -1.34 0.00 0.00 0.00 173.10 172.51 1ael s VAL 66 N 1.19 0.03 0.28 1.40 -7.23 -1.26 -4.98 120.40 109.84 1ael s VAL 66 Ca 0.07 -0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 59.71 1ael s VAL 66 Cb -0.14 -0.52 -0.10 0.00 0.56 0.00 0.00 36.38 36.19 1ael s VAL 66 CO 0.06 -0.13 1.14 1.51 -0.31 0.00 0.00 175.10 177.36 1ael s ASP 67 N -0.54 7.18 0.00 4.85 -4.77 -1.20 -4.30 116.67 117.90 1ael s ASP 67 Ca -0.06 2.34 0.00 0.00 -3.30 0.00 0.00 52.55 51.52 1ael s ASP 67 Cb -0.04 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1ael s ASP 67 CO 0.02 -0.21 0.00 0.49 0.70 0.00 0.00 175.17 176.17 1ael n PHE 68 N 1.17 0.00 -0.45 2.11 3.72 -1.26 -4.96 117.46 117.80 1ael n PHE 68 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1ael n PHE 68 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1ael n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ael n ALA 69 N -2.53 0.00 -2.70 4.37 0.00 -1.21 -4.90 120.51 113.55 1ael n ALA 69 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ael n ALA 69 Cb 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 19.45 19.19 1ael n ALA 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ael s TYR 70 N -1.96 2.20 0.79 0.00 5.04 -1.25 -4.55 117.35 117.62 1ael s TYR 70 Ca 0.00 -0.60 -0.14 0.00 -2.44 0.00 0.00 57.07 53.89 1ael s TYR 70 Cb 0.00 -1.44 0.04 0.00 0.35 0.00 0.00 41.96 40.90 1ael s TYR 70 CO 0.00 -0.17 0.90 -1.13 -1.34 0.00 0.00 175.55 173.82 1ael n SER 71 N 2.90 0.02 -3.06 4.32 3.41 -1.24 -0.65 113.62 119.32 1ael n SER 71 Ca -0.17 0.57 -0.29 0.00 -0.26 0.00 0.00 58.87 58.72 1ael n SER 71 Cb 0.52 -1.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.04 1ael n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ael n LEU 72 N -2.05 6.90 0.00 1.04 -0.00 -1.23 -4.61 117.00 117.05 1ael n LEU 72 Ca 0.12 -3.66 0.00 0.00 -0.00 0.00 0.00 56.01 52.47 1ael n LEU 72 Cb 0.50 -1.36 0.00 0.00 -0.00 0.00 0.00 43.42 42.56 1ael n LEU 72 CO 0.49 1.53 0.00 0.00 -0.00 0.00 0.00 177.39 179.41 1ael n ALA 73 N 3.59 0.00 -2.76 1.47 0.00 -1.26 -4.59 120.51 116.96 1ael n ALA 73 Ca 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.99 1ael n ALA 73 Cb 0.30 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.77 1ael n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ael n ASP 74 N 3.58 -3.18 0.00 0.00 8.00 -1.26 -5.05 116.55 118.64 1ael n ASP 74 Ca 0.00 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.40 1ael n ASP 74 Cb 0.00 1.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ael n GLY 75 N 2.34 -0.01 2.02 0.44 0.00 -1.26 -4.80 105.19 103.92 1ael n GLY 75 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1ael n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ael n THR 76 N -0.12 0.00 -3.60 2.61 5.66 -1.26 -4.88 114.28 112.69 1ael n THR 76 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1ael n THR 76 Cb 0.00 -0.27 0.01 0.00 -1.55 0.00 0.00 70.33 68.52 1ael n THR 76 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ael n GLU 77 N -2.70 0.30 0.00 1.09 4.71 -1.26 -3.63 120.64 119.15 1ael n GLU 77 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 57.16 56.47 1ael n GLU 77 Cb 0.00 0.91 0.00 0.00 -1.01 0.00 0.00 31.44 31.34 1ael n GLU 77 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ael n LEU 78 N 0.00 0.00 0.00 -4.62 0.00 0.17 -3.50 117.00 109.05 1ael n LEU 78 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 1ael n LEU 78 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.67 1ael n LEU 78 CO 0.10 0.00 0.00 1.07 0.00 0.00 0.00 177.39 178.56 1ael n THR 79 N 0.00 0.00 0.00 1.96 5.66 -0.96 -3.30 114.28 117.64 1ael n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ael n THR 79 Cb 0.00 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 1ael n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ael n GLY 80 N 5.00 0.91 0.00 1.09 0.00 -1.25 -3.82 105.19 107.12 1ael n GLY 80 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1ael n GLY 80 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ael n THR 81 N 0.00 0.00 -3.12 2.61 5.66 -1.26 -3.21 114.28 114.96 1ael n THR 81 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1ael n THR 81 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1ael n THR 81 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1ael s TRP 82 N 0.00 3.79 0.23 1.09 0.52 -1.26 -4.52 118.94 118.79 1ael s TRP 82 Ca 0.00 1.38 0.02 0.00 0.02 0.00 0.00 56.10 57.52 1ael s TRP 82 Cb 0.00 -2.66 -0.01 0.00 -1.15 0.00 0.00 33.47 29.66 1ael s TRP 82 CO 0.00 0.44 0.27 0.25 0.02 0.00 0.00 176.95 177.93 1ael n THR 83 N 2.17 0.00 -1.72 2.01 -2.24 0.30 -3.35 114.28 111.46 1ael n THR 83 Ca -0.07 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1ael n THR 83 Cb 0.50 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1ael n THR 83 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1ael n MET 84 N -0.40 0.00 0.00 -0.78 0.00 -1.26 0.31 117.12 114.98 1ael n MET 84 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1ael n MET 84 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.62 1ael n MET 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ael n GLU 85 N 0.00 0.00 0.00 3.17 2.13 0.26 -4.79 120.64 121.41 1ael n GLU 85 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ael n GLU 85 Cb 0.00 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.53 1ael n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ael n GLY 86 N -0.04 2.85 1.26 8.31 0.00 -1.26 -4.87 105.19 111.43 1ael n GLY 86 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1ael n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ael n ASN 87 N 0.00 3.79 0.00 1.61 6.94 -1.26 -4.98 115.26 121.36 1ael n ASN 87 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 1ael n ASN 87 Cb 0.00 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1ael n ASN 87 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1ael n LYS 88 N 1.53 0.00 -0.26 -3.83 2.85 -1.13 -4.58 118.16 112.73 1ael n LYS 88 Ca 0.23 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.43 1ael n LYS 88 Cb 0.60 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.02 1ael n LYS 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1ael n LEU 89 N 0.00 0.00 -3.15 -5.58 0.00 -1.26 0.91 117.00 107.92 1ael n LEU 89 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 56.01 55.83 1ael n LEU 89 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 43.42 43.23 1ael n LEU 89 CO 0.00 -0.94 0.42 -0.69 0.00 0.00 0.00 177.39 176.18 1ael s VAL 90 N -1.43 -0.54 -0.56 1.96 1.01 0.90 -4.47 120.40 117.26 1ael s VAL 90 Ca 0.13 0.00 0.20 0.00 0.00 0.00 0.00 61.98 62.31 1ael s VAL 90 Cb -0.01 -0.85 0.20 0.00 0.00 0.00 0.00 36.38 35.72 1ael s VAL 90 CO 0.10 0.00 1.60 0.61 0.00 0.00 0.00 175.10 177.41 1ael n GLY 91 N 5.38 -1.09 7.00 4.51 0.00 0.43 -0.54 105.19 120.88 1ael n GLY 91 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ael n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ael n LYS 92 N -2.05 0.00 -3.57 1.61 4.76 -1.23 -4.33 118.16 113.35 1ael n LYS 92 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1ael n LYS 92 Cb 0.16 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 1ael n LYS 92 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1ael n PHE 93 N 0.00 0.00 0.00 2.13 1.16 -1.25 -0.39 117.46 119.10 1ael n PHE 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ael n PHE 93 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1ael n PHE 93 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 94 N 0.00 0.00 0.00 3.97 5.02 -1.21 -3.94 118.16 122.00 1ael n LYS 94 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ael n LYS 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ael n LYS 94 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ael n ARG 95 N 0.00 0.00 0.00 1.97 5.12 -1.26 -3.87 116.66 118.62 1ael n ARG 95 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 95 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ael n ARG 95 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ael n VAL 96 N -0.69 0.00 0.27 1.55 0.31 -1.26 -1.13 118.33 117.39 1ael n VAL 96 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1ael n VAL 96 Cb 0.00 0.00 0.79 0.00 -0.91 0.00 0.00 33.84 33.72 1ael n VAL 96 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ael h ASP 97 N 0.77 0.00 0.00 4.52 3.58 -1.91 -3.43 116.42 119.95 1ael h ASP 97 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ael h ASP 97 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ael h ASP 97 CO 0.00 0.09 0.00 -3.20 -2.88 0.00 0.00 179.24 173.25 1ael n ASN 98 N -3.62 0.00 0.00 2.28 5.15 -1.26 -5.13 115.26 112.68 1ael n ASN 98 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1ael n ASN 98 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ael n GLY 99 N 0.00 2.34 0.00 8.20 0.00 -1.26 -4.91 105.19 109.56 1ael n GLY 99 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1ael n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ael n LYS 100 N 0.40 2.27 -2.95 1.61 4.01 -1.26 -4.81 118.16 117.43 1ael n LYS 100 Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 1ael n LYS 100 Cb 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 34.54 1ael n LYS 100 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ael n GLU 101 N -0.14 1.04 -0.20 1.97 1.02 -1.02 -3.32 120.64 119.99 1ael n GLU 101 Ca 0.00 -2.99 -0.05 0.00 -0.02 0.00 0.00 57.16 54.10 1ael n GLU 101 Cb 0.00 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1ael n GLU 101 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 102 N 0.14 -0.51 0.00 -4.62 4.32 -1.24 -1.07 117.00 114.02 1ael n LEU 102 Ca 0.16 1.33 0.00 0.00 -0.02 0.00 0.00 56.01 57.48 1ael n LEU 102 Cb 0.72 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1ael n LEU 102 CO 0.17 -0.93 0.00 -0.38 -1.22 0.00 0.00 177.39 175.03 1ael n ILE 103 N -4.09 0.00 -0.08 -0.08 2.08 0.47 0.32 119.36 117.99 1ael n ILE 103 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1ael n ILE 103 Cb 0.13 -0.24 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 1ael n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n ALA 104 N 1.00 0.02 -2.68 -1.39 0.00 -1.25 0.16 120.51 116.38 1ael n ALA 104 Ca 0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 1ael n ALA 104 Cb 0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 1ael n ALA 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ael s VAL 105 N 0.10 5.36 0.06 0.00 0.11 -1.11 0.11 120.40 125.03 1ael s VAL 105 Ca 0.00 0.22 0.11 0.00 -2.93 0.00 0.00 61.98 59.38 1ael s VAL 105 Cb 0.00 -3.51 -0.06 0.00 -1.53 0.00 0.00 36.38 31.28 1ael s VAL 105 CO 0.00 0.36 1.43 -0.09 -3.33 0.00 0.00 175.10 173.47 1ael h ARG 106 N 7.29 0.00 0.00 1.54 9.65 -1.82 0.40 114.38 131.44 1ael h ARG 106 Ca -0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1ael h ARG 106 Cb 1.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1ael h ARG 106 CO 0.69 0.73 0.00 0.39 2.80 0.00 0.00 179.97 184.57 1ael n GLU 107 N -3.39 0.00 -1.20 0.20 1.02 -1.26 -0.11 120.64 115.90 1ael n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ael n GLU 107 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 1ael n GLU 107 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1ael n ILE 108 N 0.00 -4.31 -3.15 -3.67 3.06 -1.26 -2.84 119.36 107.19 1ael n ILE 108 Ca 0.00 1.70 0.05 0.00 -2.50 0.00 0.00 62.75 62.01 1ael n ILE 108 Cb 0.00 -2.65 -0.01 0.00 0.54 0.00 0.00 39.64 37.52 1ael n ILE 108 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1ael s SER 109 N -1.56 -0.57 -0.31 9.51 0.15 -1.26 -4.74 113.70 114.91 1ael s SER 109 Ca 0.00 0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.86 1ael s SER 109 Cb 0.00 1.46 0.01 0.00 -1.71 0.00 0.00 66.02 65.78 1ael s SER 109 CO 0.00 -0.11 0.39 0.61 1.20 0.00 0.00 173.24 175.33 1ael n GLY 110 N 5.43 -1.59 3.93 9.45 0.00 -1.26 -4.07 105.19 117.08 1ael n GLY 110 Ca -0.04 0.85 -0.35 0.00 0.00 0.00 0.00 46.02 46.47 1ael n GLY 110 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ael n ASN 111 N -0.21 -3.33 -0.76 1.61 5.15 -1.26 -4.95 115.26 111.51 1ael n ASN 111 Ca 0.08 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1ael n ASN 111 Cb 0.30 -2.59 0.00 0.00 -0.53 0.00 0.00 39.78 36.96 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ael n GLU 112 N -4.55 0.38 -1.72 1.20 4.71 -1.26 -5.03 120.64 114.37 1ael n GLU 112 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 56.98 1ael n GLU 112 Cb 0.61 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 31.07 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 113 N 0.00 -0.40 0.00 -4.62 4.77 -1.26 -4.50 117.00 110.99 1ael n LEU 113 Ca 0.00 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 1ael n LEU 113 Cb 0.00 0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1ael n LEU 113 CO 0.00 1.16 0.00 -0.38 -1.33 0.00 0.00 177.39 176.84 1ael n ILE 114 N -0.40 0.00 -0.85 -0.08 2.08 0.84 -4.44 119.36 116.52 1ael n ILE 114 Ca -0.05 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 114 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.45 1ael n ILE 114 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n GLN 115 N -1.27 -2.10 -2.65 0.38 6.02 -0.43 -2.51 117.38 114.82 1ael n GLN 115 Ca 0.00 1.67 -0.04 0.00 -0.01 0.00 0.00 57.00 58.62 1ael n GLN 115 Cb 0.00 -2.22 0.07 0.00 1.02 0.00 0.00 30.24 29.11 1ael n GLN 115 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1ael n THR 116 N -2.71 0.00 -3.50 5.09 -1.04 0.14 -4.61 114.28 107.65 1ael n THR 116 Ca -0.03 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 61.13 1ael n THR 116 Cb 0.33 0.91 -0.08 0.00 -1.82 0.00 0.00 70.33 69.67 1ael n THR 116 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ael s TYR 117 N 0.23 3.39 -1.01 -1.42 1.51 -1.15 -2.74 117.35 116.16 1ael s TYR 117 Ca 0.25 -1.75 -0.02 0.00 -1.01 0.00 0.00 57.07 54.54 1ael s TYR 117 Cb 0.19 -3.57 0.29 0.00 -0.11 0.00 0.00 41.96 38.76 1ael s TYR 117 CO -0.07 -1.00 1.98 2.41 -1.11 0.00 0.00 175.55 177.76 1ael n THR 118 N 4.98 5.38 0.24 -0.71 -1.04 0.96 -1.94 114.28 122.14 1ael n THR 118 Ca -0.09 -5.30 0.11 0.00 -2.04 0.00 0.00 64.05 56.73 1ael n THR 118 Cb 0.41 -1.55 0.61 0.00 -1.82 0.00 0.00 70.33 67.97 1ael n THR 118 CO 0.00 0.00 0.00 0.10 -0.64 0.00 0.00 175.07 174.53 1ael h TYR 119 N 3.96 0.00 0.00 -1.42 -0.00 -0.76 -3.35 116.97 115.40 1ael h TYR 119 Ca 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 59.29 1ael h TYR 119 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.00 1ael h TYR 119 CO 1.35 0.00 -0.01 -1.91 -0.00 0.00 0.00 178.16 177.59 1ael n GLU 120 N -2.44 0.00 0.00 0.10 4.07 -1.26 -2.44 120.64 118.67 1ael n GLU 120 Ca -0.01 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1ael n GLU 120 Cb 0.29 0.03 0.00 0.00 -0.06 0.00 0.00 31.44 31.70 1ael n GLU 120 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ael n GLY 121 N 0.00 1.85 1.47 8.31 0.00 -1.26 -5.04 105.19 110.52 1ael n GLY 121 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ael n GLY 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ael n VAL 122 N -0.43 0.38 -1.06 1.61 0.31 -1.26 -5.13 118.33 112.75 1ael n VAL 122 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1ael n VAL 122 Cb 0.00 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1ael n VAL 122 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ael n GLU 123 N -3.06 -2.52 -4.22 5.55 2.13 -1.09 -4.90 120.64 112.52 1ael n GLU 123 Ca 0.00 1.94 -0.33 0.00 0.66 0.00 0.00 57.16 59.43 1ael n GLU 123 Cb 0.00 -1.96 -0.16 0.00 0.27 0.00 0.00 31.44 29.59 1ael n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ael s ALA 124 N -0.81 2.37 0.13 4.31 0.00 -0.82 -4.63 121.76 122.31 1ael s ALA 124 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 1ael s ALA 124 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1ael s ALA 124 CO 0.00 -0.28 0.20 1.63 0.00 0.00 0.00 175.76 177.30 1ael n LYS 125 N 4.51 0.28 0.00 0.00 4.01 -0.78 -2.95 118.16 123.23 1ael n LYS 125 Ca -0.20 -0.99 0.00 0.00 -0.51 0.00 0.00 58.31 56.60 1ael n LYS 125 Cb 0.50 0.99 0.00 0.00 -0.51 0.00 0.00 35.03 36.02 1ael n LYS 125 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ael n ARG 126 N -0.21 0.00 0.00 1.97 5.12 -1.04 0.91 116.66 123.40 1ael n ARG 126 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 126 Cb 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 1ael n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ael n ILE 127 N 0.00 0.00 -0.85 0.55 -0.00 -1.24 -4.64 119.36 113.18 1ael n ILE 127 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 1ael n ILE 127 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 39.64 39.74 1ael n ILE 127 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 1ael n PHE 128 N 1.42 -2.44 0.47 1.39 1.16 -1.24 0.66 117.46 118.88 1ael n PHE 128 Ca 0.00 0.20 0.07 0.00 -1.87 0.00 0.00 57.45 55.85 1ael n PHE 128 Cb 0.00 -1.59 -0.09 0.00 -1.61 0.00 0.00 39.48 36.19 1ael n PHE 128 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 129 N -0.11 1.68 -0.52 3.97 5.02 -1.26 -3.51 118.16 123.43 1ael n LYS 129 Ca 0.02 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ael n LYS 129 Cb 0.59 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ael n LYS 130 N -1.55 0.00 0.00 1.97 0.00 -1.26 -4.75 118.16 112.57 1ael n LYS 130 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 1ael n LYS 130 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 35.04 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49