#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 0.47 -3.70 0.00 1.16 -1.26 -4.88 117.46 109.25 1ael n PHE 2 Ca 0.00 0.32 -0.14 0.00 -1.87 0.00 0.00 57.45 55.76 1ael n PHE 2 Cb 0.00 -2.04 -0.09 0.00 -1.61 0.00 0.00 39.48 35.74 1ael n PHE 2 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1ael s ASP 3 N 7.48 -0.45 0.00 5.98 -1.08 -1.22 -4.06 116.67 123.32 1ael s ASP 3 Ca 1.30 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 54.09 1ael s ASP 3 Cb -1.16 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 41.10 1ael s ASP 3 CO 0.48 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.52 1ael n GLY 4 N 2.34 1.25 3.45 2.66 0.00 0.71 -4.83 105.19 110.76 1ael n GLY 4 Ca -0.15 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 0.02 -0.05 2.61 -4.23 -1.25 -4.06 115.64 108.68 1ael s THR 5 Ca 0.00 -0.30 -0.31 0.00 -1.18 0.00 0.00 61.69 59.90 1ael s THR 5 Cb 0.00 -1.19 0.12 0.00 1.34 0.00 0.00 72.50 72.77 1ael s THR 5 CO 0.00 -0.08 1.26 0.26 -0.54 0.00 0.00 174.62 175.52 1ael s TRP 6 N -3.79 -0.06 0.00 3.99 0.23 -1.26 -4.00 118.94 114.04 1ael s TRP 6 Ca 0.03 -0.03 0.00 0.00 -2.03 0.00 0.00 56.10 54.07 1ael s TRP 6 Cb -0.01 0.54 0.00 0.00 0.03 0.00 0.00 33.47 34.03 1ael s TRP 6 CO -0.10 -0.28 0.00 1.63 0.96 0.00 0.00 176.95 179.16 1ael n LYS 7 N -0.40 0.00 -2.94 4.98 5.02 -1.26 -1.65 118.16 121.91 1ael n LYS 7 Ca -0.07 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.08 1ael n LYS 7 Cb 0.62 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.63 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 -0.30 -0.25 -0.18 0.31 -1.24 -3.55 118.33 113.12 1ael n VAL 8 Ca 0.00 -2.52 0.04 0.00 -0.01 0.00 0.00 64.34 61.85 1ael n VAL 8 Cb 0.00 0.06 0.17 0.00 -0.91 0.00 0.00 33.84 33.16 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 4.05 0.29 -4.19 4.52 1.82 0.40 -3.42 116.42 119.89 1ael h ASP 9 Ca -0.05 0.10 -0.33 0.00 -0.39 0.00 0.00 57.03 56.36 1ael h ASP 9 Cb 0.97 0.07 -0.16 0.00 0.68 0.00 0.00 39.33 40.89 1ael h ASP 9 CO 0.38 0.13 -0.73 0.00 -1.61 0.00 0.00 179.24 177.41 1ael s ARG 10 N -6.03 0.95 -0.02 0.28 3.03 -0.81 -4.98 118.95 111.37 1ael s ARG 10 Ca -0.12 -1.29 0.00 0.00 2.03 0.00 0.00 55.73 56.35 1ael s ARG 10 Cb 0.20 -0.59 0.02 0.00 -1.03 0.00 0.00 34.95 33.54 1ael s ARG 10 CO 0.76 0.08 0.00 0.54 -1.13 0.00 0.00 175.30 175.56 1ael s ASN 11 N -2.76 0.21 0.00 -2.89 2.20 -1.26 -3.27 114.94 107.18 1ael s ASN 11 Ca 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.02 1ael s ASN 11 Cb -0.01 -0.10 0.00 0.00 -2.00 0.00 0.00 41.25 39.15 1ael s ASN 11 CO 0.00 -0.06 0.00 1.21 -2.94 0.00 0.00 177.10 175.31 1ael n GLU 12 N 3.72 0.00 -0.27 3.55 0.00 0.26 -4.71 120.64 123.18 1ael n GLU 12 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 56.90 1ael n GLU 12 Cb 0.54 0.00 0.05 0.00 0.00 0.00 0.00 31.44 32.03 1ael n GLU 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ael n ASN 13 N 0.00 3.02 -0.04 4.31 4.05 -1.26 -4.39 115.26 120.95 1ael n ASN 13 Ca 0.00 -2.34 -0.15 0.00 0.45 0.00 0.00 54.58 52.53 1ael n ASN 13 Cb 0.00 -0.57 -0.08 0.00 1.23 0.00 0.00 39.78 40.36 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1ael h TYR 14 N 0.32 0.72 -0.38 1.20 5.03 -1.87 -2.30 116.97 119.69 1ael h TYR 14 Ca 0.13 -0.29 -0.04 0.00 2.58 0.00 0.00 58.73 61.10 1ael h TYR 14 Cb 1.35 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 1ael h TYR 14 CO 0.35 1.06 0.06 1.49 -1.32 0.00 0.00 178.16 179.80 1ael h GLU 15 N 0.18 0.62 0.00 1.82 4.81 -1.86 -2.67 114.58 117.48 1ael h GLU 15 Ca -0.02 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1ael h GLU 15 Cb 1.08 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1ael h GLU 15 CO 0.10 0.68 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.73 1ael h LYS 16 N 0.47 0.00 -0.62 1.92 3.64 -1.89 -2.73 116.57 117.35 1ael h LYS 16 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1ael h LYS 16 Cb 0.36 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1ael h LYS 16 CO 0.01 0.11 0.29 0.35 -2.27 0.00 0.00 179.45 177.94 1ael h PHE 17 N 0.00 0.90 0.01 1.91 3.57 -1.08 -2.39 116.94 119.86 1ael h PHE 17 Ca -0.00 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ael h PHE 17 Cb 0.81 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1ael h PHE 17 CO 0.00 0.68 -0.01 0.52 -2.23 0.00 0.00 178.31 177.28 1ael h MET 18 N 0.85 -0.02 -0.75 1.11 2.86 -1.50 -3.36 114.93 114.13 1ael h MET 18 Ca 0.21 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.01 1ael h MET 18 Cb 0.13 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.65 1ael h MET 18 CO -0.03 0.77 -0.17 1.49 1.06 0.00 0.00 176.91 180.03 1ael h GLU 19 N -0.88 0.01 0.00 1.72 4.57 -1.47 -2.11 114.58 116.41 1ael h GLU 19 Ca -0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1ael h GLU 19 Cb 0.79 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1ael h GLU 19 CO 0.00 0.00 -0.12 0.87 -1.18 0.00 0.00 179.01 178.59 1ael h LYS 20 N 0.01 0.00 0.00 1.92 1.57 -1.57 -0.33 116.57 118.17 1ael h LYS 20 Ca 0.36 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.08 1ael h LYS 20 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ael h LYS 20 CO -0.76 0.12 -0.29 0.52 -0.57 0.00 0.00 179.45 178.46 1ael h MET 21 N 0.00 0.00 0.00 3.15 2.86 -1.54 -3.46 114.93 115.94 1ael h MET 21 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ael h MET 21 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1ael h MET 21 CO 0.02 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.69 1ael n GLY 22 N -0.63 0.68 0.45 8.32 0.00 -0.15 -4.88 105.19 108.98 1ael n GLY 22 Ca -0.02 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.23 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 0.16 -2.71 -0.61 5.03 -1.30 -3.47 117.51 114.60 1ael h ILE 23 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.82 1ael h ILE 23 Cb 0.00 0.32 -0.04 0.00 -3.03 0.00 0.00 36.82 34.06 1ael h ILE 23 CO 0.00 0.00 -0.79 -3.20 -0.68 0.00 0.00 178.15 173.48 1ael n ASN 24 N -3.41 -6.12 0.32 1.72 2.85 -1.25 -4.49 115.26 104.88 1ael n ASN 24 Ca 0.15 1.30 0.21 0.00 -0.11 0.00 0.00 54.58 56.13 1ael n ASN 24 Cb 1.07 -3.56 1.08 0.00 1.24 0.00 0.00 39.78 39.61 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1ael h VAL 25 N -0.24 0.00 -0.21 3.44 -1.51 -1.93 -3.07 116.25 112.74 1ael h VAL 25 Ca -0.05 -0.14 0.06 0.00 -1.23 0.00 0.00 66.70 65.35 1ael h VAL 25 Cb 0.81 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1ael h VAL 25 CO 0.02 0.00 0.28 0.58 -1.23 0.00 0.00 177.57 177.22 1ael h VAL 26 N 0.00 0.34 0.00 7.19 2.07 -1.99 1.00 116.25 124.85 1ael h VAL 26 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1ael h VAL 26 Cb 0.14 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1ael h VAL 26 CO 0.00 0.00 -0.61 0.11 0.02 0.00 0.00 177.57 177.09 1ael h LYS 27 N 0.00 0.00 -0.02 1.57 1.79 -1.76 -3.24 116.57 114.92 1ael h LYS 27 Ca 0.10 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1ael h LYS 27 Cb 0.65 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1ael h LYS 27 CO -0.00 0.60 0.12 0.07 -1.08 0.00 0.00 179.45 179.16 1ael h ARG 28 N 0.00 0.00 -5.94 3.15 0.11 0.87 -3.11 114.38 109.47 1ael h ARG 28 Ca -0.01 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.53 1ael h ARG 28 Cb 1.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.54 1ael h ARG 28 CO 0.08 0.00 1.47 0.15 0.10 0.00 0.00 179.97 181.77 1ael s LYS 29 N -4.21 2.82 -2.00 0.08 3.01 -1.22 -2.05 119.74 116.16 1ael s LYS 29 Ca -0.04 1.58 0.00 0.00 -1.01 0.00 0.00 55.97 56.49 1ael s LYS 29 Cb 0.12 -4.40 0.00 0.00 -1.01 0.00 0.00 37.83 32.54 1ael s LYS 29 CO 0.39 -2.46 0.00 1.28 0.51 0.00 0.00 175.35 175.07 1ael n LEU 30 N 12.72 -1.30 0.00 3.17 4.32 -1.26 -4.94 117.00 129.72 1ael n LEU 30 Ca 0.29 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 1ael n LEU 30 Cb 0.49 -2.79 0.00 0.00 -1.62 0.00 0.00 43.42 39.50 1ael n LEU 30 CO 0.68 -1.06 0.00 0.61 -1.22 0.00 0.00 177.39 176.40 1ael n GLY 31 N -0.27 2.32 4.34 -0.72 0.00 -0.87 -4.68 105.19 105.31 1ael n GLY 31 Ca -0.19 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.00 0.00 0.44 4.61 0.00 -1.26 -4.61 120.51 116.69 1ael n ALA 32 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1ael n ALA 32 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1ael n ALA 32 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ael n HIS 33 N 0.00 0.71 -0.60 0.00 1.44 -1.26 -4.77 115.22 110.74 1ael n HIS 33 Ca 0.00 -0.26 -0.19 0.00 -2.01 0.00 0.00 57.72 55.26 1ael n HIS 33 Cb 0.00 -0.21 0.01 0.00 0.12 0.00 0.00 29.99 29.91 1ael n HIS 33 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1ael n ASP 34 N 0.25 -1.95 -3.53 4.39 -0.08 -1.26 -5.00 116.55 109.37 1ael n ASP 34 Ca 0.10 0.29 -0.28 0.00 -1.51 0.00 0.00 54.79 53.39 1ael n ASP 34 Cb 0.54 -0.41 -0.11 0.00 2.34 0.00 0.00 41.12 43.48 1ael n ASP 34 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1ael s ASN 35 N -0.49 2.64 -0.29 1.67 0.02 -1.26 -4.73 114.94 112.49 1ael s ASN 35 Ca 0.27 -2.84 0.03 0.00 -1.02 0.00 0.00 52.86 49.30 1ael s ASN 35 Cb -0.22 -0.67 0.08 0.00 0.02 0.00 0.00 41.25 40.45 1ael s ASN 35 CO 0.33 -0.22 -0.04 -0.22 0.02 0.00 0.00 177.10 176.98 1ael s LEU 36 N 0.21 3.99 -0.79 0.60 0.20 -1.26 -2.79 118.68 118.85 1ael s LEU 36 Ca 0.25 -1.71 -0.26 0.00 0.69 0.00 0.00 54.13 53.11 1ael s LEU 36 Cb -0.10 -1.58 -0.10 0.00 -0.43 0.00 0.00 46.19 43.98 1ael s LEU 36 CO -0.10 -0.27 2.24 -0.75 -0.29 0.00 0.00 176.35 177.18 1ael s LYS 37 N 1.02 1.99 0.37 1.98 2.20 -1.23 -3.67 119.74 122.40 1ael s LYS 37 Ca -0.01 0.34 0.15 0.00 -0.36 0.00 0.00 55.97 56.09 1ael s LYS 37 Cb -0.20 -4.83 1.00 0.00 -1.51 0.00 0.00 37.83 32.30 1ael s LYS 37 CO -0.06 -3.93 1.77 1.25 -0.36 0.00 0.00 175.35 174.02 1ael h LEU 38 N 20.54 0.54 -0.70 5.43 7.12 -1.54 0.15 115.31 146.85 1ael h LEU 38 Ca -0.01 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1ael h LEU 38 Cb 1.04 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1ael h LEU 38 CO 1.09 0.12 -0.42 0.41 -0.13 0.00 0.00 178.44 179.52 1ael n THR 39 N -4.70 -2.44 -4.09 1.05 -1.04 -0.66 -1.63 114.28 100.77 1ael n THR 39 Ca 0.25 1.13 -0.19 0.00 -2.04 0.00 0.00 64.05 63.19 1ael n THR 39 Cb 0.80 -1.51 -0.16 0.00 -1.82 0.00 0.00 70.33 67.63 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 -2.56 0.45 -0.30 12.58 1.01 -1.26 -2.58 121.20 128.54 1ael s ILE 40 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1ael s ILE 40 Cb 0.00 -0.49 0.10 0.00 0.01 0.00 0.00 42.46 42.08 1ael s ILE 40 CO 0.00 0.21 0.14 -0.89 0.00 0.00 0.00 174.94 174.39 1ael s THR 41 N 0.98 0.07 0.27 2.92 2.01 -0.89 0.25 115.64 121.26 1ael s THR 41 Ca -0.10 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 60.68 1ael s THR 41 Cb -0.14 -1.08 -0.15 0.00 0.01 0.00 0.00 72.50 71.14 1ael s THR 41 CO -0.01 -0.75 0.86 1.67 -0.69 0.00 0.00 174.62 175.71 1ael n GLN 42 N 5.07 0.97 -3.30 4.92 0.00 -1.26 -1.31 117.38 122.47 1ael n GLN 42 Ca -0.04 0.34 -0.21 0.00 -0.00 0.00 0.00 57.00 57.09 1ael n GLN 42 Cb 0.41 -1.61 -0.08 0.00 0.00 0.00 0.00 30.24 28.96 1ael n GLN 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1ael s GLU 43 N -1.42 0.81 1.88 3.69 0.41 0.32 -4.82 118.70 119.57 1ael s GLU 43 Ca 0.60 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.63 1ael s GLU 43 Cb -0.75 -1.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.58 1ael s GLU 43 CO 0.59 -1.31 0.00 0.41 -0.49 0.00 0.00 175.26 174.46 1ael n GLY 44 N 3.38 0.64 0.18 -1.39 0.00 -1.26 -1.82 105.19 104.91 1ael n GLY 44 Ca 0.21 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 3.57 0.00 -4.24 1.61 5.03 -1.26 -5.05 115.26 114.92 1ael n ASN 45 Ca 0.00 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.11 1ael n ASN 45 Cb 0.00 -0.14 0.13 0.00 -1.02 0.00 0.00 39.78 38.76 1ael n ASN 45 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1ael n LYS 46 N -1.84 -1.05 -3.69 3.52 4.81 -0.76 -4.52 118.16 114.63 1ael n LYS 46 Ca 0.00 -0.29 -0.11 0.00 -0.87 0.00 0.00 58.31 57.04 1ael n LYS 46 Cb 0.00 -1.58 -0.10 0.00 0.02 0.00 0.00 35.03 33.38 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 -2.21 -0.66 -1.05 5.64 -0.12 -1.08 0.12 117.98 118.62 1ael s PHE 47 Ca 0.52 1.44 -0.24 0.00 -0.05 0.00 0.00 56.93 58.60 1ael s PHE 47 Cb -0.10 0.30 -0.11 0.00 -0.63 0.00 0.00 43.02 42.48 1ael s PHE 47 CO 0.67 -0.35 2.04 0.99 -0.05 0.00 0.00 175.22 178.52 1ael s THR 48 N 1.06 3.34 -0.26 -4.49 2.01 -0.43 -3.61 115.64 113.26 1ael s THR 48 Ca -0.06 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1ael s THR 48 Cb -0.06 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1ael s THR 48 CO -0.10 -0.66 0.17 -0.69 -0.69 0.00 0.00 174.62 172.66 1ael s VAL 49 N 12.61 5.26 0.00 3.82 1.01 -0.91 -2.09 120.40 140.11 1ael s VAL 49 Ca 0.75 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1ael s VAL 49 Cb -0.05 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ael s VAL 49 CO 0.10 0.29 0.00 1.17 0.00 0.00 0.00 175.10 176.66 1ael n LYS 50 N 4.78 0.00 0.00 2.72 4.81 -0.65 0.57 118.16 130.40 1ael n LYS 50 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1ael n LYS 50 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1ael n LYS 50 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ael n GLU 51 N 0.00 0.00 -3.60 1.64 2.13 0.02 -3.59 120.64 117.24 1ael n GLU 51 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1ael n GLU 51 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1ael n GLU 51 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ael n SER 52 N 0.00 3.16 -4.62 4.31 7.64 -1.06 -2.52 113.62 120.53 1ael n SER 52 Ca 0.00 -3.28 -0.29 0.00 1.01 0.00 0.00 58.87 56.30 1ael n SER 52 Cb 0.00 -0.70 0.19 0.00 -1.01 0.00 0.00 64.21 62.69 1ael n SER 52 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ael s SER 53 N -1.94 2.33 -0.80 6.43 1.04 -1.25 -3.54 113.70 115.97 1ael s SER 53 Ca 0.34 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 58.28 1ael s SER 53 Cb 0.07 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.86 1ael s SER 53 CO -0.08 -3.37 2.39 -3.20 0.98 0.00 0.00 173.24 169.95 1ael n ASN 54 N -4.37 5.25 0.08 7.02 2.85 -1.12 -3.96 115.26 121.02 1ael n ASN 54 Ca 0.06 -2.32 0.00 0.00 -0.11 0.00 0.00 54.58 52.21 1ael n ASN 54 Cb 0.55 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 40.43 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 3.69 -3.15 -0.09 1.20 3.01 -1.26 -5.03 117.46 115.83 1ael n PHE 55 Ca 0.46 0.57 -0.10 0.00 1.01 0.00 0.00 57.45 59.39 1ael n PHE 55 Cb 0.27 1.71 -0.04 0.00 -0.01 0.00 0.00 39.48 41.42 1ael n PHE 55 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ael n ARG 56 N -2.82 0.52 -1.41 -1.08 3.00 -1.25 -5.10 116.66 108.51 1ael n ARG 56 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 1ael n ARG 56 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 30.97 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 -4.47 -5.90 0.00 6.15 4.05 -1.26 -5.03 115.26 108.80 1ael n ASN 57 Ca -0.17 0.79 0.00 0.00 0.45 0.00 0.00 54.58 55.65 1ael n ASN 57 Cb 0.51 -3.27 0.00 0.00 1.23 0.00 0.00 39.78 38.25 1ael n ASN 57 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1ael n ILE 58 N 1.06 0.00 0.00 -1.44 5.41 -1.05 -5.02 119.36 118.31 1ael n ILE 58 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1ael n ILE 58 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1ael n ILE 58 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ael n ASP 59 N 0.00 0.00 -3.38 4.38 -0.08 -1.25 -4.71 116.55 111.51 1ael n ASP 59 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1ael n ASP 59 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1ael n ASP 59 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1ael s VAL 60 N -2.09 -0.88 -1.07 5.18 -7.23 0.19 -4.95 120.40 109.55 1ael s VAL 60 Ca 0.00 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.11 1ael s VAL 60 Cb 0.00 -0.92 0.27 0.00 0.56 0.00 0.00 36.38 36.29 1ael s VAL 60 CO 0.00 -0.01 1.08 0.52 -0.31 0.00 0.00 175.10 176.38 1ael n VAL 61 N 5.42 4.31 -4.42 1.32 0.31 -1.26 -2.13 118.33 121.88 1ael n VAL 61 Ca -0.05 -5.38 -0.32 0.00 -0.01 0.00 0.00 64.34 58.58 1ael n VAL 61 Cb 0.50 -2.50 -0.10 0.00 -0.91 0.00 0.00 33.84 30.83 1ael n VAL 61 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ael s PHE 62 N -1.46 2.88 -0.87 3.52 -0.71 -1.24 -4.75 117.98 115.35 1ael s PHE 62 Ca 0.30 -0.05 -0.26 0.00 -1.04 0.00 0.00 56.93 55.88 1ael s PHE 62 Cb -0.08 -1.59 -0.23 0.00 -1.21 0.00 0.00 43.02 39.92 1ael s PHE 62 CO -0.07 0.38 1.95 0.39 -1.34 0.00 0.00 175.22 176.54 1ael n GLU 63 N 1.43 0.55 0.00 1.99 1.02 -1.26 -2.63 120.64 121.73 1ael n GLU 63 Ca -0.15 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.23 1ael n GLU 63 Cb 0.52 -3.53 0.00 0.00 -0.02 0.00 0.00 31.44 28.42 1ael n GLU 63 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1ael n LEU 64 N 15.49 0.00 0.00 -4.62 -0.00 -1.26 -4.18 117.00 122.43 1ael n LEU 64 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1ael n LEU 64 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1ael n LEU 64 CO 0.77 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.77 1ael n GLY 65 N 0.00 0.51 3.06 1.47 0.00 0.51 -4.63 105.19 106.11 1ael n GLY 65 Ca 0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1ael n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ael s VAL 66 N -0.04 1.90 -0.19 1.61 -7.23 -1.26 -4.87 120.40 110.32 1ael s VAL 66 Ca 0.00 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 1ael s VAL 66 Cb 0.00 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1ael s VAL 66 CO 0.00 0.31 1.29 -1.81 -0.31 0.00 0.00 175.10 174.57 1ael s ASP 67 N 1.31 6.87 0.41 4.85 1.11 -1.26 -4.44 116.67 125.52 1ael s ASP 67 Ca 0.00 1.60 0.03 0.00 0.18 0.00 0.00 52.55 54.37 1ael s ASP 67 Cb -0.15 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.29 1ael s ASP 67 CO -0.10 -0.84 0.12 0.49 1.18 0.00 0.00 175.17 176.02 1ael n PHE 68 N 6.87 0.28 -3.41 4.23 3.72 -1.26 -4.96 117.46 122.93 1ael n PHE 68 Ca 0.14 -2.53 -0.26 0.00 -0.05 0.00 0.00 57.45 54.75 1ael n PHE 68 Cb 0.45 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.17 3.36 -3.03 4.37 0.00 -1.26 -3.31 120.51 119.48 1ael n ALA 69 Ca -0.16 -4.16 -0.13 0.00 0.00 0.00 0.00 53.44 48.99 1ael n ALA 69 Cb 0.60 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 1ael n ALA 69 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ael s TYR 70 N -1.71 0.02 0.63 0.00 1.13 -1.26 -4.78 117.35 111.38 1ael s TYR 70 Ca 0.36 0.02 -0.18 0.00 -1.41 0.00 0.00 57.07 55.86 1ael s TYR 70 Cb 0.12 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.91 1ael s TYR 70 CO -0.08 -0.02 1.25 -1.54 -2.51 0.00 0.00 175.55 172.66 1ael s SER 71 N 0.19 4.80 0.46 -0.18 1.04 -1.19 -1.04 113.70 117.78 1ael s SER 71 Ca -0.02 2.51 0.28 0.00 0.48 0.00 0.00 55.95 59.20 1ael s SER 71 Cb -0.02 -2.61 1.34 0.00 0.10 0.00 0.00 66.02 64.82 1ael s SER 71 CO -0.01 -1.86 1.74 0.25 0.98 0.00 0.00 173.24 174.34 1ael h LEU 72 N 0.61 0.25 0.00 2.42 7.12 -1.92 -3.42 115.31 120.36 1ael h LEU 72 Ca -0.50 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1ael h LEU 72 Cb 1.32 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.48 1ael h LEU 72 CO 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 178.44 178.85 1ael n ALA 73 N -2.59 0.00 -0.07 1.25 0.00 -1.26 -4.98 120.51 112.85 1ael n ALA 73 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1ael n ALA 73 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.61 1ael n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ael n ASP 74 N -3.15 0.25 0.00 0.00 5.75 -1.26 -5.03 116.55 113.11 1ael n ASP 74 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 1ael n ASP 74 Cb 0.00 0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ael n GLY 75 N 0.54 -0.28 0.00 6.12 0.00 -1.26 -4.83 105.19 105.47 1ael n GLY 75 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 -3.62 2.61 5.66 -1.26 -4.79 114.28 112.88 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 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1ael n THR 76 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1ael s GLU 77 N -0.73 0.49 -0.33 1.09 2.02 -1.26 -3.15 118.70 116.83 1ael s GLU 77 Ca 0.00 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 54.81 1ael s GLU 77 Cb 0.00 0.19 0.18 0.00 0.10 0.00 0.00 34.13 34.60 1ael s GLU 77 CO 0.00 -0.22 0.53 -0.51 0.02 0.00 0.00 175.26 175.08 1ael s LEU 78 N -2.64 -1.21 -0.13 1.80 1.02 -0.21 -4.00 118.68 113.31 1ael s LEU 78 Ca 0.11 -0.39 -0.01 0.00 0.02 0.00 0.00 54.13 53.86 1ael s LEU 78 Cb 0.02 1.60 -0.02 0.00 0.02 0.00 0.00 46.19 47.81 1ael s LEU 78 CO -0.04 -0.28 -0.11 0.28 0.02 0.00 0.00 176.35 176.22 1ael s THR 79 N 2.37 3.22 0.00 5.49 -1.32 -1.21 -4.19 115.64 120.00 1ael s THR 79 Ca 0.12 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1ael s THR 79 Cb -0.10 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 1ael s THR 79 CO -0.20 0.52 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 1ael n GLY 80 N 3.49 0.17 1.25 6.08 0.00 -1.25 -2.23 105.19 112.70 1ael n GLY 80 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ael n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ael n THR 81 N 0.00 -5.00 -2.69 2.61 -1.04 -1.26 -4.63 114.28 102.28 1ael n THR 81 Ca 0.00 0.84 -0.41 0.00 -2.04 0.00 0.00 64.05 62.45 1ael n THR 81 Cb 0.00 -3.61 -0.05 0.00 -1.82 0.00 0.00 70.33 64.85 1ael n THR 81 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1ael s TRP 82 N -0.15 3.83 0.29 -1.42 0.52 -1.26 -4.52 118.94 116.23 1ael s TRP 82 Ca 0.00 1.80 -0.16 0.00 0.02 0.00 0.00 56.10 57.77 1ael s TRP 82 Cb 0.00 -3.08 0.02 0.00 -1.15 0.00 0.00 33.47 29.26 1ael s TRP 82 CO 0.00 0.12 0.63 0.95 0.02 0.00 0.00 176.95 178.67 1ael s THR 83 N -0.53 0.00 0.00 2.01 -4.23 -0.04 0.19 115.64 113.04 1ael s THR 83 Ca 0.45 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1ael s THR 83 Cb -0.26 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1ael s THR 83 CO 0.32 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.55 1ael n MET 84 N -0.45 1.52 0.00 3.99 0.00 -1.26 0.27 117.12 121.19 1ael n MET 84 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.67 1ael n MET 84 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.82 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 0.67 -4.73 120.64 121.88 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 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 31.67 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 -1.20 1.88 0.23 8.31 0.00 -1.26 -4.87 105.19 108.27 1ael n GLY 86 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 1.22 -3.65 1.61 0.23 -1.26 -4.90 115.26 108.51 1ael n ASN 87 Ca 0.00 -1.11 -0.04 0.00 -0.53 0.00 0.00 54.58 52.90 1ael n ASN 87 Cb 0.00 0.56 -0.07 0.00 -2.08 0.00 0.00 39.78 38.19 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ael s LYS 88 N -1.63 0.15 0.08 -3.83 -2.85 -1.24 -4.50 119.74 105.91 1ael s LYS 88 Ca 0.09 0.17 -0.01 0.00 -1.00 0.00 0.00 55.97 55.22 1ael s LYS 88 Cb 0.10 0.07 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 1ael s LYS 88 CO 0.33 -0.02 0.05 -0.11 0.10 0.00 0.00 175.35 175.70 1ael n LEU 89 N 1.65 0.00 -3.00 2.77 7.94 -1.26 -0.24 117.00 124.86 1ael n LEU 89 Ca -0.10 -0.05 0.03 0.00 -1.11 0.00 0.00 56.01 54.78 1ael n LEU 89 Cb 0.57 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1ael n LEU 89 CO 0.02 -1.48 0.40 -0.69 -1.11 0.00 0.00 177.39 174.52 1ael s VAL 90 N -1.07 -0.42 0.64 1.96 1.01 0.76 -4.52 120.40 118.76 1ael s VAL 90 Ca 0.04 0.00 0.32 0.00 0.00 0.00 0.00 61.98 62.33 1ael s VAL 90 Cb -0.01 -0.19 0.35 0.00 0.00 0.00 0.00 36.38 36.53 1ael s VAL 90 CO 0.03 0.00 2.02 1.23 0.00 0.00 0.00 175.10 178.38 1ael h GLY 91 N 6.56 0.00 0.00 4.51 0.00 0.55 -0.08 103.07 114.61 1ael h GLY 91 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ael h GLY 91 CO -0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.79 1ael n LYS 92 N -3.26 0.00 -1.75 4.80 4.76 -1.25 -4.15 118.16 117.30 1ael n LYS 92 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ael n LYS 92 Cb 0.37 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 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 -0.50 0.00 0.00 2.13 1.16 -1.26 -3.18 117.46 115.81 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 -0.52 3.97 5.02 -0.62 -3.80 118.16 122.21 1ael n LYS 94 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1ael n LYS 94 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 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 0.67 -0.08 1.97 5.12 -1.23 -3.50 116.66 119.60 1ael n ARG 95 Ca 0.00 -0.25 -0.11 0.00 -1.93 0.00 0.00 57.85 55.56 1ael n ARG 95 Cb 0.00 -0.97 -0.09 0.00 -1.16 0.00 0.00 32.46 30.25 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 -3.34 0.99 -0.35 1.55 0.31 -1.26 -0.69 118.33 115.55 1ael n VAL 96 Ca 0.02 -0.42 0.24 0.00 -0.01 0.00 0.00 64.34 64.17 1ael n VAL 96 Cb 0.10 -1.02 0.48 0.00 -0.91 0.00 0.00 33.84 32.50 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 0.00 0.51 0.00 4.52 3.58 -1.92 -3.36 116.42 119.75 1ael h ASP 97 Ca -0.39 0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.14 1ael h ASP 97 Cb 1.65 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 42.72 1ael h ASP 97 CO -0.04 -0.03 -0.14 -3.20 -2.88 0.00 0.00 179.24 172.95 1ael n ASN 98 N -4.86 -0.49 -3.68 2.28 2.85 -1.26 -5.04 115.26 105.06 1ael n ASN 98 Ca 0.30 -1.01 -0.27 0.00 -0.11 0.00 0.00 54.58 53.49 1ael n ASN 98 Cb 0.96 0.15 0.03 0.00 1.24 0.00 0.00 39.78 42.16 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 -0.75 3.89 8.20 0.00 0.13 -4.80 105.19 111.87 1ael n GLY 99 Ca -0.14 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1ael n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ael s LYS 100 N -5.89 2.26 -0.53 1.61 3.01 -1.26 -4.42 119.74 114.52 1ael s LYS 100 Ca 0.30 0.22 0.07 0.00 -1.01 0.00 0.00 55.97 55.56 1ael s LYS 100 Cb -0.10 -1.97 0.33 0.00 -1.01 0.00 0.00 37.83 35.08 1ael s LYS 100 CO 0.84 -1.41 0.87 0.39 0.51 0.00 0.00 175.35 176.55 1ael n GLU 101 N -3.22 2.57 0.00 1.68 4.71 -1.26 -1.59 120.64 123.54 1ael n GLU 101 Ca 0.08 -4.45 0.00 0.00 -0.01 0.00 0.00 57.16 52.78 1ael n GLU 101 Cb 0.60 -2.08 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 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 0.00 0.00 0.00 -4.62 4.77 -1.26 -0.57 117.00 115.33 1ael n LEU 102 Ca 0.29 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1ael n LEU 102 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ael n LEU 102 CO 0.31 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.99 1ael n ILE 103 N -0.75 0.00 -0.05 -0.08 2.08 -1.19 0.40 119.36 119.78 1ael n ILE 103 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 103 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 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 -0.63 0.01 -1.00 -1.39 0.00 -1.26 0.18 120.51 116.42 1ael n ALA 104 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ael n ALA 104 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 0.19 0.00 0.00 0.00 0.31 0.11 -0.05 118.33 118.89 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 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.14 -4.40 116.66 120.95 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 -0.87 -0.14 1.02 -1.22 -4.09 120.64 115.34 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 -3.26 -3.15 -3.67 3.06 -1.23 -3.70 119.36 107.42 1ael n ILE 108 Ca 0.00 1.26 0.05 0.00 -2.50 0.00 0.00 62.75 61.56 1ael n ILE 108 Cb 0.00 -2.05 -0.01 0.00 0.54 0.00 0.00 39.64 38.12 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 -1.79 -0.57 -0.42 9.51 0.15 -1.26 -4.88 113.70 114.44 1ael s SER 109 Ca 0.00 0.24 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 1ael s SER 109 Cb 0.00 1.43 0.01 0.00 -1.71 0.00 0.00 66.02 65.75 1ael s SER 109 CO 0.00 -0.10 0.49 0.61 1.20 0.00 0.00 173.24 175.44 1ael n GLY 110 N 5.36 -1.13 3.77 9.45 0.00 -1.26 -3.85 105.19 117.53 1ael n GLY 110 Ca -0.01 0.74 -0.23 0.00 0.00 0.00 0.00 46.02 46.52 1ael n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 111 N -0.78 -1.16 -0.29 1.61 5.03 -1.26 -4.96 115.26 113.44 1ael n ASN 111 Ca 0.06 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.63 1ael n ASN 111 Cb 0.41 -3.75 0.00 0.00 -1.02 0.00 0.00 39.78 35.42 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ael n GLU 112 N -4.29 2.18 0.00 3.52 4.71 -1.25 -5.04 120.64 120.48 1ael n GLU 112 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.86 1ael n GLU 112 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.11 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 0.00 0.00 -4.62 4.77 -1.26 -4.53 117.00 111.36 1ael n LEU 113 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ael n LEU 113 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ael n LEU 113 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.68 1ael n ILE 114 N -1.19 0.00 0.00 -0.08 2.08 -1.26 -3.40 119.36 115.51 1ael n ILE 114 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 114 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.41 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 -0.60 0.00 -3.13 0.38 6.02 -1.26 -4.62 117.38 114.17 1ael n GLN 115 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ael n GLN 115 Cb 0.11 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.44 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 0.00 -6.24 -3.48 5.09 -1.04 -1.22 0.26 114.28 107.66 1ael n THR 116 Ca 0.00 -0.71 -0.43 0.00 -2.04 0.00 0.00 64.05 60.87 1ael n THR 116 Cb 0.00 -5.17 -0.09 0.00 -1.82 0.00 0.00 70.33 63.25 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 -3.32 3.26 -1.12 -1.42 2.02 -1.21 -3.66 117.35 111.91 1ael s TYR 117 Ca 0.15 -1.00 -0.04 0.00 -0.37 0.00 0.00 57.07 55.81 1ael s TYR 117 Cb -0.02 -2.90 0.28 0.00 -0.40 0.00 0.00 41.96 38.92 1ael s TYR 117 CO 0.63 -0.75 1.69 2.41 -1.57 0.00 0.00 175.55 177.96 1ael n THR 118 N 5.10 5.37 -2.04 -0.71 -1.04 1.32 -0.76 114.28 121.52 1ael n THR 118 Ca -0.12 -5.60 -0.43 0.00 -2.04 0.00 0.00 64.05 55.87 1ael n THR 118 Cb 0.44 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 1ael n THR 118 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ael s TYR 119 N -2.55 2.02 -0.22 -1.42 1.13 0.27 -2.39 117.35 114.19 1ael s TYR 119 Ca 0.36 0.34 0.00 0.00 -1.41 0.00 0.00 57.07 56.36 1ael s TYR 119 Cb 0.10 -3.92 0.00 0.00 -1.10 0.00 0.00 41.96 37.04 1ael s TYR 119 CO 0.03 -3.50 0.00 -1.91 -2.51 0.00 0.00 175.55 167.66 1ael n GLU 120 N 7.34 -1.77 0.00 -3.49 4.07 -1.26 -1.53 120.64 124.00 1ael n GLU 120 Ca 0.18 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.81 1ael n GLU 120 Cb 0.44 -4.89 0.00 0.00 -0.06 0.00 0.00 31.44 26.92 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 0.51 1.48 2.68 8.31 0.00 -1.01 -5.06 105.19 112.11 1ael n GLY 121 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.41 0.85 -1.74 1.61 0.31 -0.58 -5.02 118.33 112.35 1ael n VAL 122 Ca 0.00 -4.48 -0.41 0.00 -0.01 0.00 0.00 64.34 59.44 1ael n VAL 122 Cb 0.00 -2.02 0.01 0.00 -0.91 0.00 0.00 33.84 30.91 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 2.04 2.30 -3.73 5.55 2.13 -1.16 -3.39 120.64 124.37 1ael n GLU 123 Ca 0.24 0.81 -0.28 0.00 0.66 0.00 0.00 57.16 58.59 1ael n GLU 123 Cb 0.40 -2.53 -0.16 0.00 0.27 0.00 0.00 31.44 29.42 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 -1.15 1.08 0.00 4.31 0.00 0.06 -4.12 121.76 121.94 1ael s ALA 124 Ca 0.57 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1ael s ALA 124 Cb -0.49 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1ael s ALA 124 CO 0.61 -1.26 0.00 1.63 0.00 0.00 0.00 175.76 176.74 1ael n LYS 125 N 5.02 0.00 0.00 0.00 4.01 -1.26 -3.36 118.16 122.57 1ael n LYS 125 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 1ael n LYS 125 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.98 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 0.00 0.00 0.00 1.97 1.74 -1.26 0.89 116.66 120.00 1ael n ARG 126 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ael n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -0.96 0.55 -0.00 -1.20 -4.73 119.36 113.01 1ael n ILE 127 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 1ael n ILE 127 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.64 39.72 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 -0.91 -2.34 -0.87 1.39 1.16 -1.23 0.77 117.46 115.43 1ael n PHE 128 Ca 0.00 0.20 0.08 0.00 -1.87 0.00 0.00 57.45 55.86 1ael n PHE 128 Cb 0.00 -1.72 0.14 0.00 -1.61 0.00 0.00 39.48 36.29 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 -0.30 1.88 0.00 3.97 4.81 -1.25 -3.19 118.16 124.08 1ael n LYS 129 Ca 0.05 -2.46 0.00 0.00 -0.87 0.00 0.00 58.31 55.03 1ael n LYS 129 Cb 0.53 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ael n LYS 130 N -1.07 0.00 0.00 1.64 0.00 -1.26 -4.63 118.16 112.85 1ael n LYS 130 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1ael n LYS 130 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49