#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 -1.62 0.00 3.01 -1.26 -4.81 117.46 112.78 1ael n PHE 2 Ca 0.00 0.00 -0.57 0.00 1.01 0.00 0.00 57.45 57.89 1ael n PHE 2 Cb 0.00 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 39.04 1ael n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ael n ASP 3 N -1.36 2.19 0.00 4.37 5.75 -1.24 -4.17 116.55 122.08 1ael n ASP 3 Ca 0.03 0.91 0.00 0.00 -0.01 0.00 0.00 54.79 55.72 1ael n ASP 3 Cb 0.06 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.01 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 4.96 0.41 3.92 6.12 0.00 0.62 -4.96 105.19 116.25 1ael n GLY 4 Ca 0.32 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.35 4.62 -0.01 2.61 -4.23 -1.26 0.12 115.64 115.14 1ael s THR 5 Ca 0.00 -1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 59.06 1ael s THR 5 Cb 0.00 -3.57 0.11 0.00 1.34 0.00 0.00 72.50 70.38 1ael s THR 5 CO 0.00 -0.28 1.23 0.26 -0.54 0.00 0.00 174.62 175.28 1ael s TRP 6 N -2.10 -0.07 0.00 3.99 0.23 -1.26 -3.99 118.94 115.75 1ael s TRP 6 Ca 0.37 -0.05 0.00 0.00 -2.03 0.00 0.00 56.10 54.38 1ael s TRP 6 Cb -0.08 0.56 0.00 0.00 0.03 0.00 0.00 33.47 33.97 1ael s TRP 6 CO 0.28 -0.35 0.00 1.63 0.96 0.00 0.00 176.95 179.47 1ael n LYS 7 N -0.44 0.00 -2.88 4.98 5.02 -1.26 -2.16 118.16 121.42 1ael n LYS 7 Ca -0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 1ael n LYS 7 Cb 0.62 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.65 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 -0.19 -0.33 -0.18 0.31 -1.26 -3.61 118.33 113.07 1ael n VAL 8 Ca 0.00 -2.30 0.14 0.00 -0.01 0.00 0.00 64.34 62.17 1ael n VAL 8 Cb 0.00 0.53 0.33 0.00 -0.91 0.00 0.00 33.84 33.79 1ael n VAL 8 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ael h ASP 9 N 3.83 0.63 -5.30 4.52 1.82 0.61 -3.38 116.42 119.16 1ael h ASP 9 Ca -0.08 0.12 -0.14 0.00 -0.39 0.00 0.00 57.03 56.55 1ael h ASP 9 Cb 1.00 0.02 -0.15 0.00 0.68 0.00 0.00 39.33 40.88 1ael h ASP 9 CO 0.35 0.16 -0.63 0.00 -1.61 0.00 0.00 179.24 177.51 1ael s ARG 10 N -5.85 0.76 -0.17 0.28 3.03 -0.82 -4.99 118.95 111.19 1ael s ARG 10 Ca -0.11 -1.27 -0.10 0.00 2.03 0.00 0.00 55.73 56.28 1ael s ARG 10 Cb 0.25 0.24 0.06 0.00 -1.03 0.00 0.00 34.95 34.47 1ael s ARG 10 CO 0.79 -0.19 0.42 0.54 -1.13 0.00 0.00 175.30 175.74 1ael s ASN 11 N -2.96 -0.52 0.13 -2.89 2.20 -1.26 -3.20 114.94 106.44 1ael s ASN 11 Ca 0.13 0.91 0.06 0.00 -0.94 0.00 0.00 52.86 53.02 1ael s ASN 11 Cb 0.07 0.81 -0.04 0.00 -2.00 0.00 0.00 41.25 40.10 1ael s ASN 11 CO -0.06 -0.19 -0.14 -1.83 -2.94 0.00 0.00 177.10 171.95 1ael s GLU 12 N 1.20 1.04 -0.51 3.55 -1.05 0.20 -4.70 118.70 118.42 1ael s GLU 12 Ca -0.08 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 1ael s GLU 12 Cb -0.07 -0.88 0.00 0.00 -0.44 0.00 0.00 34.13 32.74 1ael s GLU 12 CO -0.11 0.16 0.00 0.09 0.95 0.00 0.00 175.26 176.35 1ael n ASN 13 N 0.40 -5.78 0.12 0.83 5.03 -1.26 -1.92 115.26 112.68 1ael n ASN 13 Ca -0.14 0.12 0.12 0.00 0.87 0.00 0.00 54.58 55.54 1ael n ASN 13 Cb 0.58 -3.76 0.11 0.00 -1.02 0.00 0.00 39.78 35.68 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 0.04 3.10 5.03 -1.87 -3.07 116.97 120.20 1ael h TYR 14 Ca -0.10 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.11 1ael h TYR 14 Cb 1.07 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.36 1ael h TYR 14 CO 0.61 0.00 -0.42 1.49 -1.32 0.00 0.00 178.16 178.52 1ael h GLU 15 N 0.00 0.20 0.00 1.82 4.81 -1.88 -3.26 114.58 116.28 1ael h GLU 15 Ca 0.00 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 1ael h GLU 15 Cb 0.92 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1ael h GLU 15 CO 0.00 1.06 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.76 1ael h LYS 16 N -0.52 0.00 -0.46 1.92 3.64 -1.99 -3.15 116.57 116.00 1ael h LYS 16 Ca -0.06 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1ael h LYS 16 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1ael h LYS 16 CO 0.08 0.36 0.26 0.35 -2.27 0.00 0.00 179.45 178.22 1ael h PHE 17 N 0.00 0.48 0.01 1.91 3.57 -1.61 -2.25 116.94 119.04 1ael h PHE 17 Ca -0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1ael h PHE 17 Cb 1.25 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.85 1ael h PHE 17 CO 0.00 0.26 -0.29 0.52 -2.23 0.00 0.00 178.31 176.58 1ael h MET 18 N 0.51 0.18 -0.65 1.11 2.86 -1.68 -3.36 114.93 113.91 1ael h MET 18 Ca 0.19 -0.20 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1ael h MET 18 Cb 0.06 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 31.65 1ael h MET 18 CO -0.11 0.96 -0.21 1.49 1.06 0.00 0.00 176.91 180.10 1ael h GLU 19 N -0.51 -0.04 -0.01 1.72 4.57 -1.49 -1.81 114.58 117.02 1ael h GLU 19 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ael h GLU 19 Cb 1.06 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1ael h GLU 19 CO 0.06 -0.03 0.06 0.87 -1.18 0.00 0.00 179.01 178.79 1ael h LYS 20 N -0.04 0.00 -0.05 1.92 1.79 -1.55 0.28 116.57 118.92 1ael h LYS 20 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1ael h LYS 20 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1ael h LYS 20 CO -0.69 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 176.35 1ael n MET 21 N -3.17 1.39 -0.19 3.15 0.00 -0.69 -4.83 117.12 112.78 1ael n MET 21 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 57.70 57.09 1ael n MET 21 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 31.93 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 1.04 1.32 0.21 3.03 0.00 0.89 -4.62 105.19 107.07 1ael n GLY 22 Ca 0.18 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1ael n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ael h ILE 23 N 0.00 1.19 0.00 -0.61 5.03 -1.19 -3.47 117.51 118.45 1ael h ILE 23 Ca 0.00 -0.89 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 1ael h ILE 23 Cb 0.06 1.47 0.00 0.00 -3.03 0.00 0.00 36.82 35.32 1ael h ILE 23 CO 0.00 0.25 0.00 -3.20 -0.68 0.00 0.00 178.15 174.52 1ael n ASN 24 N -4.23 0.00 0.29 1.72 5.15 -1.25 -3.08 115.26 113.87 1ael n ASN 24 Ca -0.02 0.00 0.19 0.00 -0.60 0.00 0.00 54.58 54.14 1ael n ASN 24 Cb 0.31 0.00 0.82 0.00 -0.53 0.00 0.00 39.78 40.38 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1ael h VAL 25 N 0.00 0.02 -1.22 3.44 -1.51 -1.97 -3.32 116.25 111.69 1ael h VAL 25 Ca 0.00 -0.39 0.35 0.00 -1.23 0.00 0.00 66.70 65.43 1ael h VAL 25 Cb 0.00 1.38 -0.06 0.00 -2.13 0.00 0.00 31.29 30.48 1ael h VAL 25 CO 0.00 0.01 0.86 0.58 -1.23 0.00 0.00 177.57 177.79 1ael h VAL 26 N 0.00 0.39 0.00 7.19 2.07 -1.93 1.36 116.25 125.32 1ael h VAL 26 Ca -0.00 -0.02 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 1ael h VAL 26 Cb 0.38 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1ael h VAL 26 CO 0.00 0.01 -0.81 0.07 0.02 0.00 0.00 177.57 176.87 1ael h LYS 27 N 0.06 0.00 -0.02 1.57 -0.00 -1.71 -3.23 116.57 113.24 1ael h LYS 27 Ca 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 60.65 61.26 1ael h LYS 27 Cb 2.26 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 34.49 1ael h LYS 27 CO -0.07 0.81 0.20 -0.09 -0.00 0.00 0.00 179.45 180.30 1ael h ARG 28 N 0.00 0.00 0.09 0.07 1.12 0.16 0.21 114.38 116.03 1ael h ARG 28 Ca -0.01 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.51 1ael h ARG 28 Cb 1.62 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.55 1ael h ARG 28 CO 0.10 0.00 -1.97 1.63 -3.11 0.00 0.00 179.97 176.63 1ael n LYS 29 N -3.06 0.73 -2.73 0.20 5.02 -1.21 -4.86 118.16 112.26 1ael n LYS 29 Ca -0.02 0.26 -0.02 0.00 -2.02 0.00 0.00 58.31 56.51 1ael n LYS 29 Cb 0.26 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1ael n LYS 29 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ael s LEU 30 N -6.78 -0.58 0.00 -0.35 1.98 -0.27 -5.16 118.68 107.52 1ael s LEU 30 Ca -0.19 -0.61 -0.12 0.00 -2.89 0.00 0.00 54.13 50.32 1ael s LEU 30 Cb 0.07 0.76 0.04 0.00 0.66 0.00 0.00 46.19 47.72 1ael s LEU 30 CO 0.77 -0.03 0.55 0.61 -1.89 0.00 0.00 176.35 176.36 1ael n GLY 31 N 2.92 0.41 2.69 7.98 0.00 0.58 -4.75 105.19 115.02 1ael n GLY 31 Ca 0.12 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.14 -0.13 -1.96 4.61 0.00 -1.26 -4.69 120.51 114.94 1ael n ALA 32 Ca -0.05 0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.55 1ael n ALA 32 Cb 0.24 -1.58 0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.99 0.00 -1.48 0.00 -0.00 -1.26 -4.81 115.22 105.68 1ael n HIS 33 Ca -0.09 -0.20 -0.47 0.00 -0.00 0.00 0.00 57.72 56.97 1ael n HIS 33 Cb 0.52 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 30.41 1ael n HIS 33 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1ael n ASP 34 N -0.10 -0.23 -2.99 0.26 8.00 -1.26 -4.89 116.55 115.33 1ael n ASP 34 Ca 0.03 1.15 0.04 0.00 0.71 0.00 0.00 54.79 56.71 1ael n ASP 34 Cb 0.75 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1ael n ASP 34 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ael s ASN 35 N -0.78 -0.42 0.00 -2.24 3.04 -1.26 -4.76 114.94 108.52 1ael s ASN 35 Ca 0.63 -0.06 0.00 0.00 0.04 0.00 0.00 52.86 53.47 1ael s ASN 35 Cb -0.85 0.93 0.00 0.00 -1.54 0.00 0.00 41.25 39.79 1ael s ASN 35 CO 0.57 -0.06 0.00 -0.11 -3.04 0.00 0.00 177.10 174.46 1ael n LEU 36 N 4.49 0.00 -3.04 3.21 7.94 -1.26 -4.29 117.00 124.05 1ael n LEU 36 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1ael n LEU 36 Cb 0.60 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.55 1ael n LEU 36 CO -0.14 0.00 0.17 -0.75 -1.11 0.00 0.00 177.39 175.56 1ael s LYS 37 N 0.00 0.74 0.20 1.96 2.20 -1.25 -4.47 119.74 119.11 1ael s LYS 37 Ca 0.00 -0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 55.14 1ael s LYS 37 Cb 0.00 0.06 0.22 0.00 -1.51 0.00 0.00 37.83 36.60 1ael s LYS 37 CO 0.00 -1.03 1.75 1.25 -0.36 0.00 0.00 175.35 176.96 1ael h LEU 38 N 6.30 0.24 -1.00 5.43 7.12 -1.63 0.23 115.31 132.01 1ael h LEU 38 Ca 0.04 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1ael h LEU 38 Cb 1.18 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1ael h LEU 38 CO 0.05 0.16 -0.91 0.41 -0.13 0.00 0.00 178.44 178.02 1ael n THR 39 N -4.98 -5.26 -3.80 1.05 -1.04 -0.92 0.48 114.28 99.82 1ael n THR 39 Ca 0.07 2.42 -0.15 0.00 -2.04 0.00 0.00 64.05 64.35 1ael n THR 39 Cb 0.22 -3.32 -0.16 0.00 -1.82 0.00 0.00 70.33 65.26 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 -3.45 -0.03 -0.24 12.58 1.01 0.33 -2.91 121.20 128.49 1ael s ILE 40 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 1ael s ILE 40 Cb 0.00 -0.09 0.08 0.00 0.01 0.00 0.00 42.46 42.46 1ael s ILE 40 CO 0.00 0.08 0.10 -0.89 0.00 0.00 0.00 174.94 174.24 1ael s THR 41 N 0.94 0.06 0.82 2.92 2.01 -1.18 0.23 115.64 121.44 1ael s THR 41 Ca -0.08 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1ael s THR 41 Cb -0.12 -0.88 0.09 0.00 0.01 0.00 0.00 72.50 71.60 1ael s THR 41 CO -0.03 -0.50 1.15 -1.10 -0.69 0.00 0.00 174.62 173.46 1ael s GLN 42 N 2.05 1.64 -0.29 4.92 -0.21 -1.26 -1.68 119.66 124.83 1ael s GLN 42 Ca 0.05 1.54 0.20 0.00 0.02 0.00 0.00 55.36 57.17 1ael s GLN 42 Cb -0.16 -1.80 0.48 0.00 1.00 0.00 0.00 33.01 32.53 1ael s GLN 42 CO -0.22 -2.17 1.23 0.39 -2.12 0.00 0.00 175.29 172.39 1ael n GLU 43 N -3.59 1.59 -3.15 2.91 -0.58 0.15 -4.78 120.64 113.18 1ael n GLU 43 Ca 0.12 -2.83 -0.14 0.00 -0.42 0.00 0.00 57.16 53.89 1ael n GLU 43 Cb 0.52 -1.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.40 1ael n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ael n GLY 44 N -0.84 -1.01 0.00 0.62 0.00 -1.26 -3.89 105.19 98.82 1ael n GLY 44 Ca -0.00 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1ael n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 45 N -0.97 0.00 -4.53 1.61 3.02 -1.26 -5.02 115.26 108.12 1ael n ASN 45 Ca -0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.26 1ael n ASN 45 Cb 0.54 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.95 1ael n ASN 45 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ael s LYS 46 N 0.00 -0.64 -0.39 3.52 2.20 -1.25 -3.08 119.74 120.10 1ael s LYS 46 Ca 0.00 0.80 0.05 0.00 -0.36 0.00 0.00 55.97 56.46 1ael s LYS 46 Cb 0.00 -1.59 0.17 0.00 -1.51 0.00 0.00 37.83 34.90 1ael s LYS 46 CO 0.00 -3.52 0.48 -0.59 -0.36 0.00 0.00 175.35 171.35 1ael s PHE 47 N -2.56 -0.87 -0.83 4.03 -0.71 -1.26 0.32 117.98 116.10 1ael s PHE 47 Ca 0.68 -0.40 -0.23 0.00 -1.04 0.00 0.00 56.93 55.94 1ael s PHE 47 Cb -0.24 -0.12 -0.18 0.00 -1.21 0.00 0.00 43.02 41.28 1ael s PHE 47 CO 0.63 -1.05 2.33 2.41 -1.34 0.00 0.00 175.22 178.20 1ael n THR 48 N 4.30 0.00 -3.68 -4.49 -1.04 -0.68 -4.23 114.28 104.47 1ael n THR 48 Ca 0.11 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.05 61.37 1ael n THR 48 Cb 0.50 -1.64 -0.04 0.00 -1.82 0.00 0.00 70.33 67.33 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 12.43 5.19 0.00 12.58 -7.23 -0.84 -3.10 120.40 139.44 1ael s VAL 49 Ca 0.97 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1ael s VAL 49 Cb -0.24 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1ael s VAL 49 CO 0.17 -0.10 0.00 0.29 -0.31 0.00 0.00 175.10 175.14 1ael n LYS 50 N -0.41 0.00 -0.16 4.82 5.02 -0.85 -0.50 118.16 126.08 1ael n LYS 50 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1ael n LYS 50 Cb 0.53 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 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 -0.48 1.97 2.13 0.18 0.12 120.64 124.56 1ael n GLU 51 Ca 0.00 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1ael n GLU 51 Cb 0.00 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 31.63 1ael n GLU 51 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ael n SER 52 N 0.00 0.00 -4.53 4.31 2.88 -1.04 0.46 113.62 115.69 1ael n SER 52 Ca 0.00 -1.36 -0.57 0.00 -1.33 0.00 0.00 58.87 55.60 1ael n SER 52 Cb 0.00 -0.07 -0.07 0.00 -0.75 0.00 0.00 64.21 63.31 1ael n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ael n SER 53 N 0.00 0.51 -0.52 -3.46 3.41 -1.26 -2.39 113.62 109.90 1ael n SER 53 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1ael n SER 53 Cb 0.57 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 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 1.89 0.00 0.00 4.04 4.05 -1.26 -3.46 115.26 120.52 1ael n ASN 54 Ca 0.20 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.23 1ael n ASN 54 Cb 0.11 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.12 1ael n ASN 54 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1ael n PHE 55 N -0.14 0.00 -1.06 1.20 3.72 -1.22 -4.91 117.46 115.05 1ael n PHE 55 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ael n PHE 55 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -0.04 0.00 0.00 -1.08 3.00 -1.01 -5.04 116.66 112.50 1ael n ARG 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ael n ARG 56 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1ael n ARG 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ael n ASN 57 N -0.13 0.00 0.00 6.15 2.85 -1.23 -4.92 115.26 117.98 1ael n ASN 57 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ael n ASN 57 Cb 0.25 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.27 1ael n ASN 57 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ael n ILE 58 N 0.00 0.00 -1.57 -1.44 0.13 0.17 -4.91 119.36 111.74 1ael n ILE 58 Ca 0.00 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.22 1ael n ILE 58 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 1ael n ILE 58 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1ael n ASP 59 N 0.00 2.86 -4.80 9.51 5.75 -1.21 -4.10 116.55 124.56 1ael n ASP 59 Ca 0.00 0.09 -0.22 0.00 -0.01 0.00 0.00 54.79 54.65 1ael n ASP 59 Cb 0.00 -1.51 0.09 0.00 -1.03 0.00 0.00 41.12 38.67 1ael n ASP 59 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ael s VAL 60 N 8.98 2.19 -0.28 2.12 1.01 0.12 -4.96 120.40 129.58 1ael s VAL 60 Ca 1.02 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1ael s VAL 60 Cb -0.39 -2.47 0.13 0.00 0.00 0.00 0.00 36.38 33.64 1ael s VAL 60 CO 0.36 0.00 0.98 0.54 0.00 0.00 0.00 175.10 176.97 1ael s VAL 61 N -2.96 0.00 0.00 2.92 0.11 -1.26 -1.98 120.40 117.23 1ael s VAL 61 Ca 0.64 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1ael s VAL 61 Cb -0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1ael s VAL 61 CO 0.42 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.68 1ael n PHE 62 N 3.05 0.00 -2.29 1.54 3.72 -1.26 -4.94 117.46 117.28 1ael n PHE 62 Ca -0.16 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.04 1ael n PHE 62 Cb 0.57 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 1ael n PHE 62 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1ael n GLU 63 N -1.26 -1.56 0.00 -1.08 2.13 -1.26 -3.55 120.64 114.06 1ael n GLU 63 Ca 0.00 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1ael n GLU 63 Cb 0.00 -5.57 0.00 0.00 0.27 0.00 0.00 31.44 26.14 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ael n LEU 64 N -2.79 0.00 -4.09 4.31 4.77 -1.18 -4.42 117.00 113.61 1ael n LEU 64 Ca -0.23 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.40 1ael n LEU 64 Cb 0.68 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.64 1ael n LEU 64 CO 0.28 0.00 -0.23 -0.83 -1.33 0.00 0.00 177.39 175.28 1ael s GLY 65 N 0.00 1.97 -0.16 -0.72 0.00 -1.24 -3.68 107.32 103.48 1ael s GLY 65 Ca 0.00 -2.53 -0.00 0.00 0.00 0.00 0.00 44.72 42.19 1ael s GLY 65 CO 0.00 0.99 -0.06 -1.34 0.00 0.00 0.00 173.10 172.69 1ael s VAL 66 N 1.06 1.17 0.31 1.40 -7.23 -1.23 -4.95 120.40 110.92 1ael s VAL 66 Ca 0.09 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 1ael s VAL 66 Cb -0.21 -1.30 -0.11 0.00 0.56 0.00 0.00 36.38 35.31 1ael s VAL 66 CO -0.06 0.18 1.51 1.51 -0.31 0.00 0.00 175.10 177.93 1ael s ASP 67 N 1.61 6.46 0.00 4.85 -4.77 -1.26 -4.52 116.67 119.05 1ael s ASP 67 Ca 0.01 2.89 0.00 0.00 -3.30 0.00 0.00 52.55 52.15 1ael s ASP 67 Cb -0.15 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.04 1ael s ASP 67 CO -0.08 -0.82 0.00 0.49 0.70 0.00 0.00 175.17 175.46 1ael n PHE 68 N 1.67 0.00 0.00 2.11 3.72 -1.24 -5.03 117.46 118.70 1ael n PHE 68 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1ael n PHE 68 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 -3.00 0.00 -4.00 4.37 0.00 -1.26 -4.87 120.51 111.75 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 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.01 2.14 -0.21 0.00 5.04 -1.26 -4.82 117.35 118.24 1ael s TYR 70 Ca 0.00 -1.25 -0.38 0.00 -2.44 0.00 0.00 57.07 53.00 1ael s TYR 70 Cb 0.00 -1.56 -0.15 0.00 0.35 0.00 0.00 41.96 40.60 1ael s TYR 70 CO 0.00 -0.67 1.76 -1.13 -1.34 0.00 0.00 175.55 174.17 1ael n SER 71 N 4.77 2.61 -4.32 4.32 3.41 -1.25 -2.43 113.62 120.75 1ael n SER 71 Ca -0.16 1.05 -0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1ael n SER 71 Cb 0.49 -1.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 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 5.51 0.26 -3.60 1.04 -0.00 0.85 -3.34 117.00 117.72 1ael n LEU 72 Ca 0.25 -2.04 -0.19 0.00 -0.00 0.00 0.00 56.01 54.03 1ael n LEU 72 Cb 0.17 -1.26 0.00 0.00 -0.00 0.00 0.00 43.42 42.33 1ael n LEU 72 CO 0.78 -2.89 -0.11 0.00 -0.00 0.00 0.00 177.39 175.18 1ael n ALA 73 N 14.26 -2.72 -0.68 1.47 0.00 -1.26 -4.61 120.51 126.96 1ael n ALA 73 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ael n ALA 73 Cb 0.47 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.32 -1.72 0.00 0.00 8.00 -1.21 -5.07 116.55 114.22 1ael n ASP 74 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1ael n ASP 74 Cb 0.65 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 0.42 -0.37 1.62 0.44 0.00 -1.26 -4.80 105.19 101.24 1ael n GLY 75 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ael n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ael n THR 76 N 0.00 0.00 -2.16 2.61 -1.04 -1.26 -4.98 114.28 107.45 1ael n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ael n THR 76 Cb 0.00 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1ael n THR 76 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ael n GLU 77 N -2.61 0.00 0.00 -2.82 1.02 -1.21 -4.00 120.64 111.01 1ael n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ael n GLU 77 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 1ael n GLU 77 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ael n LEU 78 N 0.00 0.00 -1.24 -4.62 0.00 -1.02 -0.10 117.00 110.02 1ael n LEU 78 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 55.96 1ael n LEU 78 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.45 1ael n LEU 78 CO 0.00 0.00 0.66 1.07 0.00 0.00 0.00 177.39 179.12 1ael n THR 79 N 0.00 1.44 -1.87 1.96 5.66 -1.26 -3.99 114.28 116.22 1ael n THR 79 Ca 0.00 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.32 1ael n THR 79 Cb 0.00 -0.91 0.03 0.00 -1.55 0.00 0.00 70.33 67.90 1ael n THR 79 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ael s GLY 80 N 0.57 1.64 -1.02 1.09 0.00 -1.23 -3.58 107.32 104.79 1ael s GLY 80 Ca 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 1ael s GLY 80 CO 0.02 0.10 1.33 -1.30 0.00 0.00 0.00 173.10 173.24 1ael n THR 81 N -2.91 4.79 -1.52 0.90 -2.24 -1.26 -4.31 114.28 107.73 1ael n THR 81 Ca 0.07 -5.77 -0.21 0.00 -2.27 0.00 0.00 64.05 55.87 1ael n THR 81 Cb 0.56 -2.14 -0.17 0.00 -2.10 0.00 0.00 70.33 66.48 1ael n THR 81 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1ael n TRP 82 N 1.41 0.44 -3.57 4.78 7.02 -1.25 -4.41 117.44 121.85 1ael n TRP 82 Ca 0.26 0.03 -0.23 0.00 -1.02 0.00 0.00 57.50 56.54 1ael n TRP 82 Cb 0.35 -1.34 -0.00 0.00 -2.42 0.00 0.00 31.31 27.89 1ael n TRP 82 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1ael s THR 83 N 5.48 2.15 0.00 -0.99 -4.23 -0.02 -4.47 115.64 113.57 1ael s THR 83 Ca 1.20 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1ael s THR 83 Cb -0.65 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1ael s THR 83 CO 0.41 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.64 1ael n MET 84 N -1.78 2.19 -1.78 3.99 0.00 -1.26 0.24 117.12 118.72 1ael n MET 84 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.73 1ael n MET 84 Cb 0.63 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.87 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 0.25 0.00 3.17 2.13 0.38 -4.75 120.64 121.82 1ael n GLU 85 Ca 0.00 -0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.56 1ael n GLU 85 Cb 0.00 0.07 0.00 0.00 0.27 0.00 0.00 31.44 31.78 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 -0.30 2.14 0.00 8.31 0.00 -1.26 -4.06 105.19 110.02 1ael n GLY 86 Ca -0.05 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1ael n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ael n ASN 87 N 4.69 0.00 0.00 1.61 5.15 -1.26 -4.75 115.26 120.70 1ael n ASN 87 Ca 0.00 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 1ael n ASN 87 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ael n ASN 87 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ael n LYS 88 N -0.76 0.00 0.00 1.20 2.85 -1.20 -4.51 118.16 115.73 1ael n LYS 88 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1ael n LYS 88 Cb 0.03 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 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 7.94 -1.26 0.14 117.00 115.10 1ael n LEU 89 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 1ael n LEU 89 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1ael n LEU 89 CO 0.00 -1.18 0.56 -0.69 -1.11 0.00 0.00 177.39 174.97 1ael s VAL 90 N -0.86 -0.28 0.10 1.96 1.01 0.67 -4.48 120.40 118.51 1ael s VAL 90 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 61.98 62.27 1ael s VAL 90 Cb 0.00 -0.62 0.29 0.00 0.00 0.00 0.00 36.38 36.05 1ael s VAL 90 CO 0.00 0.00 1.90 1.23 0.00 0.00 0.00 175.10 178.23 1ael h GLY 91 N 7.62 0.00 0.00 4.51 0.00 0.70 -0.00 103.07 115.90 1ael h GLY 91 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1ael h GLY 91 CO -0.10 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.72 1ael n LYS 92 N -2.54 0.00 -3.50 4.80 4.76 -1.21 -3.97 118.16 116.51 1ael n LYS 92 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1ael n LYS 92 Cb 0.05 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 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 -1.26 -0.87 117.46 118.62 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 -1.23 -3.55 118.16 122.36 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 2.89 -0.52 0.00 0.00 177.40 179.77 1ael n ARG 95 N 0.00 0.11 0.00 1.97 0.00 -1.26 -4.28 116.66 113.20 1ael n ARG 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ael n ARG 95 Cb 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 32.46 31.26 1ael n ARG 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ael n VAL 96 N 0.63 0.00 0.16 8.89 0.31 -1.26 -3.34 118.33 123.71 1ael n VAL 96 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1ael n VAL 96 Cb 0.04 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.50 1ael n VAL 96 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ael n ASP 97 N 0.00 0.50 0.00 4.52 2.03 -1.26 -4.68 116.55 117.66 1ael n ASP 97 Ca 0.00 0.72 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1ael n ASP 97 Cb 0.00 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1ael n ASP 97 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ael n ASN 98 N -2.19 0.00 0.00 1.67 2.85 -1.26 -5.04 115.26 111.28 1ael n ASN 98 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1ael n ASN 98 Cb 0.07 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.09 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ael n GLY 99 N 0.00 0.00 2.41 8.20 0.00 -1.26 -5.06 105.19 109.48 1ael n GLY 99 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -3.30 -2.75 1.61 4.01 -1.26 -4.90 118.16 111.57 1ael n LYS 100 Ca 0.00 -1.16 -0.09 0.00 -0.51 0.00 0.00 58.31 56.55 1ael n LYS 100 Cb 0.00 -1.27 0.09 0.00 -0.51 0.00 0.00 35.03 33.34 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 -4.32 1.08 -0.32 1.97 4.71 -0.97 -3.55 120.64 119.25 1ael n GLU 101 Ca 0.10 -2.07 0.01 0.00 -0.01 0.00 0.00 57.16 55.19 1ael n GLU 101 Cb 0.43 -0.76 0.05 0.00 -1.01 0.00 0.00 31.44 30.15 1ael n GLU 101 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 102 N 0.01 -0.49 0.00 -4.62 4.32 -1.26 -2.94 117.00 112.02 1ael n LEU 102 Ca 0.05 1.47 0.00 0.00 -0.02 0.00 0.00 56.01 57.51 1ael n LEU 102 Cb 0.75 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1ael n LEU 102 CO 0.02 -1.35 0.00 -0.38 -1.22 0.00 0.00 177.39 174.47 1ael n ILE 103 N -5.28 0.00 0.00 -0.08 2.08 -0.05 0.32 119.36 116.35 1ael n ILE 103 Ca 0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.41 1ael n ILE 103 Cb 0.36 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.73 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 0.00 -1.00 -1.39 0.00 -1.26 0.24 120.51 118.10 1ael n ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ael n ALA 104 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1ael n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ael n VAL 105 N 0.00 0.00 0.00 0.00 0.31 0.16 0.02 118.33 118.83 1ael n VAL 105 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 105 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ael n VAL 105 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ael n ARG 106 N 0.00 0.00 0.00 5.55 3.00 0.29 -4.49 116.66 121.02 1ael n ARG 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ael n ARG 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ael n ARG 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ael n GLU 107 N 0.00 0.00 -0.82 -0.14 1.02 -1.13 -0.93 120.64 118.65 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 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -4.13 -3.17 -3.67 3.06 -1.26 -3.27 119.36 106.92 1ael n ILE 108 Ca 0.00 1.04 0.05 0.00 -2.50 0.00 0.00 62.75 61.33 1ael n ILE 108 Cb 0.00 -2.46 -0.03 0.00 0.54 0.00 0.00 39.64 37.69 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 -0.83 -0.08 -0.35 9.51 0.15 -1.26 -4.77 113.70 116.07 1ael s SER 109 Ca 0.00 0.08 -0.14 0.00 0.70 0.00 0.00 55.95 56.59 1ael s SER 109 Cb 0.00 1.08 0.02 0.00 -1.71 0.00 0.00 66.02 65.41 1ael s SER 109 CO 0.00 -0.02 0.38 0.61 1.20 0.00 0.00 173.24 175.41 1ael n GLY 110 N 4.99 -1.64 3.54 9.45 0.00 -1.26 -3.89 105.19 116.38 1ael n GLY 110 Ca -0.08 0.87 -0.18 0.00 0.00 0.00 0.00 46.02 46.63 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 0.20 -5.90 -2.55 1.61 5.15 -1.26 -4.98 115.26 107.53 1ael n ASN 111 Ca 0.03 -0.69 -0.11 0.00 -0.60 0.00 0.00 54.58 53.22 1ael n ASN 111 Cb 0.39 -3.19 -0.01 0.00 -0.53 0.00 0.00 39.78 36.44 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 -2.69 0.65 -1.05 1.20 4.71 -1.25 -5.01 120.64 117.20 1ael n GLU 112 Ca -0.17 -2.12 -0.00 0.00 -0.01 0.00 0.00 57.16 54.86 1ael n GLU 112 Cb 0.61 2.17 0.00 0.00 -1.01 0.00 0.00 31.44 33.21 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 -0.10 -4.50 -4.62 4.77 -1.24 -4.38 117.00 106.93 1ael n LEU 113 Ca -0.01 -0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 55.02 1ael n LEU 113 Cb 0.47 0.45 -0.19 0.00 -2.33 0.00 0.00 43.42 41.82 1ael n LEU 113 CO 0.23 0.81 2.10 2.30 -1.33 0.00 0.00 177.39 181.50 1ael n ILE 114 N -0.06 -0.00 0.14 -0.08 -5.35 -0.10 -4.31 119.36 109.59 1ael n ILE 114 Ca -0.02 -0.33 0.08 0.00 -0.27 0.00 0.00 62.75 62.22 1ael n ILE 114 Cb 0.41 -0.35 0.45 0.00 -1.74 0.00 0.00 39.64 38.41 1ael n ILE 114 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ael n GLN 115 N 6.83 0.11 -1.55 6.28 1.13 -1.26 0.11 117.38 129.03 1ael n GLN 115 Ca 0.65 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 56.31 1ael n GLN 115 Cb 0.12 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.56 1ael n GLN 115 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1ael n THR 116 N -2.09 0.00 -3.32 5.09 -1.04 -1.20 0.40 114.28 112.12 1ael n THR 116 Ca -0.01 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.56 1ael n THR 116 Cb 0.09 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.52 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 -1.74 3.18 -1.03 -1.42 1.51 -1.16 -3.15 117.35 113.55 1ael s TYR 117 Ca 0.00 -0.75 -0.05 0.00 -1.01 0.00 0.00 57.07 55.26 1ael s TYR 117 Cb 0.00 -3.21 0.27 0.00 -0.11 0.00 0.00 41.96 38.91 1ael s TYR 117 CO 0.00 -0.84 1.12 2.41 -1.11 0.00 0.00 175.55 177.12 1ael n THR 118 N 5.34 4.28 0.35 -0.71 -1.04 0.97 -0.53 114.28 122.93 1ael n THR 118 Ca -0.10 -5.46 0.11 0.00 -2.04 0.00 0.00 64.05 56.56 1ael n THR 118 Cb 0.45 -2.37 0.50 0.00 -1.82 0.00 0.00 70.33 67.08 1ael n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ael n TYR 119 N 2.10 0.76 0.00 -1.42 4.11 -1.14 -4.14 117.16 117.43 1ael n TYR 119 Ca 0.24 0.32 0.00 0.00 -0.00 0.00 0.00 57.90 58.46 1ael n TYR 119 Cb 0.37 -1.01 0.00 0.00 -0.00 0.00 0.00 39.34 38.70 1ael n TYR 119 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1ael n GLU 120 N -2.21 0.00 -1.17 -3.48 4.07 -1.26 -2.29 120.64 114.30 1ael n GLU 120 Ca 0.01 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.07 1ael n GLU 120 Cb 0.19 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.55 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 0.66 0.95 8.31 0.00 -1.26 -4.92 105.19 108.93 1ael n GLY 121 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.95 0.41 -0.18 1.61 0.31 -1.26 -5.13 118.33 111.15 1ael n VAL 122 Ca -0.04 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1ael n VAL 122 Cb 0.15 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 -2.85 -0.34 -4.07 5.55 2.13 -1.08 -4.92 120.64 115.07 1ael n GLU 123 Ca -0.00 0.30 -0.32 0.00 0.66 0.00 0.00 57.16 57.80 1ael n GLU 123 Cb 0.01 -0.27 -0.16 0.00 0.27 0.00 0.00 31.44 31.30 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 -0.93 2.35 0.19 4.31 0.00 0.30 -4.59 121.76 123.39 1ael s ALA 124 Ca 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 1ael s ALA 124 Cb 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.77 1ael s ALA 124 CO 0.00 -0.83 0.42 0.36 0.00 0.00 0.00 175.76 175.71 1ael n LYS 125 N 4.56 0.56 0.00 0.00 -0.00 -0.81 -2.98 118.16 119.48 1ael n LYS 125 Ca -0.16 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.04 1ael n LYS 125 Cb 0.46 1.39 0.00 0.00 -0.00 0.00 0.00 35.03 36.88 1ael n LYS 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ael n ARG 126 N -0.29 0.00 0.00 -1.58 1.74 -1.26 0.62 116.66 115.90 1ael n ARG 126 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1ael n ARG 126 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 1ael n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ael n ILE 127 N 0.00 0.00 -0.93 0.55 -0.00 -1.19 -4.79 119.36 113.00 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 0.09 0.00 -0.00 0.00 0.00 39.64 39.73 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 -1.30 -2.58 -0.00 1.39 1.16 -1.24 0.95 117.46 115.85 1ael n PHE 128 Ca 0.00 0.17 0.02 0.00 -1.87 0.00 0.00 57.45 55.77 1ael n PHE 128 Cb 0.00 -1.69 0.05 0.00 -1.61 0.00 0.00 39.48 36.23 1ael n PHE 128 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1ael n LYS 129 N -0.20 2.08 0.00 3.97 0.00 -1.25 -3.24 118.16 119.52 1ael n LYS 129 Ca 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 58.31 56.87 1ael n LYS 129 Cb 0.54 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 34.46 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ael n LYS 130 N 0.02 0.00 0.00 1.64 0.00 -1.26 -4.71 118.16 113.85 1ael n LYS 130 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1ael n LYS 130 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.30 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49