#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 -4.70 117.46 115.22 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 -3.47 -0.05 0.00 0.00 176.76 173.24 1ael n ASP 3 N 0.24 0.00 0.00 4.37 2.03 -1.23 -4.44 116.55 117.52 1ael n ASP 3 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ael n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ael n GLY 4 N 0.00 1.00 3.78 0.27 0.00 0.45 -4.95 105.19 105.74 1ael n GLY 4 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 0.80 4.37 0.15 2.61 -4.23 -1.26 0.13 115.64 118.21 1ael s THR 5 Ca 0.00 -1.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.07 1ael s THR 5 Cb 0.00 -3.25 0.07 0.00 1.34 0.00 0.00 72.50 70.66 1ael s THR 5 CO 0.00 -0.15 1.00 0.26 -0.54 0.00 0.00 174.62 175.19 1ael s TRP 6 N -1.82 -0.09 0.00 3.99 0.23 -1.26 -3.68 118.94 116.30 1ael s TRP 6 Ca 0.31 -0.22 0.00 0.00 -2.03 0.00 0.00 56.10 54.16 1ael s TRP 6 Cb -0.10 0.64 0.00 0.00 0.03 0.00 0.00 33.47 34.05 1ael s TRP 6 CO 0.23 -0.80 0.00 1.63 0.96 0.00 0.00 176.95 178.96 1ael n LYS 7 N -0.50 0.00 -2.88 4.98 5.02 -1.26 -2.18 118.16 121.34 1ael n LYS 7 Ca -0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.11 1ael n LYS 7 Cb 0.61 0.00 0.03 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 -0.13 -0.31 -0.18 0.31 -1.26 -3.59 118.33 113.17 1ael n VAL 8 Ca 0.00 -2.34 0.15 0.00 -0.01 0.00 0.00 64.34 62.14 1ael n VAL 8 Cb 0.00 0.70 0.33 0.00 -0.91 0.00 0.00 33.84 33.96 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 3.52 0.26 -4.58 4.52 1.82 0.08 -3.39 116.42 118.65 1ael h ASP 9 Ca -0.06 0.17 -0.30 0.00 -0.39 0.00 0.00 57.03 56.45 1ael h ASP 9 Cb 1.02 0.18 -0.15 0.00 0.68 0.00 0.00 39.33 41.06 1ael h ASP 9 CO 0.31 -0.07 -0.64 0.00 -1.61 0.00 0.00 179.24 177.22 1ael s ARG 10 N -5.86 1.21 -0.08 0.28 3.03 -0.88 -4.98 118.95 111.67 1ael s ARG 10 Ca -0.11 -1.61 -0.03 0.00 2.03 0.00 0.00 55.73 56.00 1ael s ARG 10 Cb 0.26 -0.23 0.04 0.00 -1.03 0.00 0.00 34.95 34.00 1ael s ARG 10 CO 0.78 -0.20 0.17 0.54 -1.13 0.00 0.00 175.30 175.46 1ael s ASN 11 N -3.22 0.13 0.01 -2.89 4.22 -1.26 -3.75 114.94 108.17 1ael s ASN 11 Ca 0.29 0.36 0.07 0.00 -2.14 0.00 0.00 52.86 51.44 1ael s ASN 11 Cb 0.07 0.28 -0.03 0.00 1.28 0.00 0.00 41.25 42.85 1ael s ASN 11 CO 0.08 -0.18 -0.21 -0.70 -2.04 0.00 0.00 177.10 174.04 1ael s GLU 12 N 1.57 2.11 -0.44 3.55 -6.30 0.46 -4.67 118.70 114.98 1ael s GLU 12 Ca -0.05 -0.94 0.00 0.00 -2.50 0.00 0.00 54.97 51.48 1ael s GLU 12 Cb -0.12 -2.14 0.00 0.00 0.00 0.00 0.00 34.13 31.87 1ael s GLU 12 CO -0.06 0.56 0.00 0.09 0.02 0.00 0.00 175.26 175.86 1ael n ASN 13 N 1.99 -1.19 0.09 -1.70 3.02 -1.26 -1.92 115.26 114.29 1ael n ASN 13 Ca -0.16 0.13 -0.20 0.00 -0.03 0.00 0.00 54.58 54.32 1ael n ASN 13 Cb 0.52 -1.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.16 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ael h TYR 14 N 0.00 0.89 0.11 3.10 5.03 -1.88 -2.83 116.97 121.39 1ael h TYR 14 Ca -0.09 -0.55 -0.01 0.00 2.58 0.00 0.00 58.73 60.67 1ael h TYR 14 Cb 0.35 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.55 1ael h TYR 14 CO 0.18 1.39 -0.05 1.49 -1.32 0.00 0.00 178.16 179.85 1ael h GLU 15 N 0.26 -0.14 0.00 1.82 4.81 -1.87 -3.12 114.58 116.34 1ael h GLU 15 Ca -0.16 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1ael h GLU 15 Cb 1.85 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 1ael h GLU 15 CO 0.22 0.30 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.56 1ael h LYS 16 N -0.64 0.00 -0.12 1.92 3.64 -1.98 -2.67 116.57 116.72 1ael h LYS 16 Ca -0.01 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1ael h LYS 16 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ael h LYS 16 CO 0.02 0.01 -0.33 0.35 -2.27 0.00 0.00 179.45 177.24 1ael h PHE 17 N 0.00 0.27 0.00 1.91 3.57 -1.46 -2.50 116.94 118.74 1ael h PHE 17 Ca -0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ael h PHE 17 Cb 0.55 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1ael h PHE 17 CO 0.00 0.55 -0.00 0.52 -2.23 0.00 0.00 178.31 177.15 1ael h MET 18 N 0.21 0.00 -0.84 1.11 2.86 -1.47 -3.37 114.93 113.43 1ael h MET 18 Ca 0.03 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.84 1ael h MET 18 Cb 0.69 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.19 1ael h MET 18 CO 0.05 0.15 -0.16 1.49 1.06 0.00 0.00 176.91 179.50 1ael h GLU 19 N -1.00 0.01 0.00 1.72 4.81 -1.51 -1.94 114.58 116.68 1ael h GLU 19 Ca -0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ael h GLU 19 Cb 0.15 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1ael h GLU 19 CO -0.00 0.01 -0.08 0.87 -0.73 0.00 0.00 179.01 179.08 1ael h LYS 20 N 0.01 0.00 -0.25 1.92 1.57 -1.62 -2.50 116.57 115.71 1ael h LYS 20 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1ael h LYS 20 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ael h LYS 20 CO -0.84 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.11 1ael n MET 21 N -3.26 1.77 0.00 3.15 0.00 -0.73 -4.84 117.12 113.21 1ael n MET 21 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 57.70 56.51 1ael n MET 21 Cb 0.30 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.17 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 1.11 0.53 3.76 3.17 0.00 -1.01 -4.81 105.19 107.94 1ael n GLY 22 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.32 4.82 0.52 -0.61 1.09 -0.97 -4.79 121.20 119.94 1ael s ILE 23 Ca 0.00 1.37 0.06 0.00 -1.10 0.00 0.00 60.65 60.98 1ael s ILE 23 Cb 0.00 -3.99 0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1ael s ILE 23 CO 0.00 0.42 0.38 0.20 -0.10 0.00 0.00 174.94 175.83 1ael s ASN 24 N -0.26 4.65 0.55 3.58 0.01 -1.26 -4.24 114.94 117.96 1ael s ASN 24 Ca 0.33 -1.19 0.33 0.00 -0.71 0.00 0.00 52.86 51.63 1ael s ASN 24 Cb -0.19 0.24 1.32 0.00 0.41 0.00 0.00 41.25 43.03 1ael s ASN 24 CO 0.19 -1.01 1.97 -0.37 -1.51 0.00 0.00 177.10 176.37 1ael h VAL 25 N 0.84 0.00 0.00 1.60 -1.51 -1.98 -3.00 116.25 112.21 1ael h VAL 25 Ca -0.38 -0.54 -0.01 0.00 -1.23 0.00 0.00 66.70 64.54 1ael h VAL 25 Cb 1.29 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 1ael h VAL 25 CO 0.58 0.00 -0.05 0.58 -1.23 0.00 0.00 177.57 177.45 1ael h VAL 26 N 0.00 0.34 0.00 7.19 2.07 -2.02 0.37 116.25 124.19 1ael h VAL 26 Ca -0.00 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1ael h VAL 26 Cb 0.54 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1ael h VAL 26 CO 0.00 0.05 -0.33 0.11 0.02 0.00 0.00 177.57 177.42 1ael h LYS 27 N 0.00 0.00 -0.19 1.57 1.79 -1.93 -3.32 116.57 114.49 1ael h LYS 27 Ca -0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1ael h LYS 27 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1ael h LYS 27 CO 0.01 0.33 0.56 -0.09 -1.08 0.00 0.00 179.45 179.18 1ael h ARG 28 N 0.00 0.00 0.11 3.15 9.65 -0.36 1.61 114.38 128.54 1ael h ARG 28 Ca -0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1ael h ARG 28 Cb 1.25 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.80 1ael h ARG 28 CO 0.04 0.00 -0.24 0.87 2.80 0.00 0.00 179.97 183.44 1ael h LYS 29 N 0.00 -0.42 0.00 0.20 6.56 -1.72 -3.34 116.57 117.86 1ael h LYS 29 Ca 0.09 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1ael h LYS 29 Cb 1.21 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 1ael h LYS 29 CO -0.00 -0.28 -0.08 1.47 -2.06 0.00 0.00 179.45 178.50 1ael n LEU 30 N -5.36 0.60 -4.85 2.94 -0.00 -0.30 -4.99 117.00 105.04 1ael n LEU 30 Ca -0.06 -0.81 -0.38 0.00 -0.00 0.00 0.00 56.01 54.76 1ael n LEU 30 Cb 0.27 -0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 43.61 1ael n LEU 30 CO 0.26 0.20 -0.00 -0.83 -0.00 0.00 0.00 177.39 177.01 1ael s GLY 31 N -0.57 2.36 0.00 1.47 0.00 0.53 -4.18 107.32 106.93 1ael s GLY 31 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1ael s GLY 31 CO 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 173.10 173.04 1ael n ALA 32 N 1.88 0.00 -1.54 3.20 0.00 -1.26 -4.48 120.51 118.32 1ael n ALA 32 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 1ael n ALA 32 Cb 0.53 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.18 3.15 -1.89 0.00 -0.00 -1.26 -4.70 115.22 108.34 1ael n HIS 33 Ca 0.00 -2.81 -0.42 0.00 -0.00 0.00 0.00 57.72 54.50 1ael n HIS 33 Cb 0.18 -1.32 -0.02 0.00 -0.00 0.00 0.00 29.99 28.83 1ael n HIS 33 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1ael s ASP 34 N -1.71 6.52 -0.33 0.26 -1.08 -1.26 -4.71 116.67 114.35 1ael s ASP 34 Ca 0.61 2.77 -0.08 0.00 -0.52 0.00 0.00 52.55 55.32 1ael s ASP 34 Cb 0.48 -2.62 0.19 0.00 -1.46 0.00 0.00 42.92 39.52 1ael s ASP 34 CO -0.13 -0.82 1.04 0.21 0.52 0.00 0.00 175.17 175.99 1ael s ASN 35 N 0.66 -0.38 0.00 -0.34 2.47 -1.26 -4.85 114.94 111.24 1ael s ASN 35 Ca 0.64 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.67 1ael s ASN 35 Cb -0.45 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 39.84 1ael s ASN 35 CO 0.41 -0.04 0.00 -0.11 -3.72 0.00 0.00 177.10 173.64 1ael n LEU 36 N 3.47 0.00 -2.95 3.21 7.94 -1.26 -4.79 117.00 122.62 1ael n LEU 36 Ca 0.07 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.98 1ael n LEU 36 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1ael n LEU 36 CO -0.11 0.00 0.28 -0.75 -1.11 0.00 0.00 177.39 175.71 1ael s LYS 37 N 0.00 0.51 0.18 1.96 2.20 -1.21 -4.58 119.74 118.80 1ael s LYS 37 Ca 0.00 -0.22 -0.14 0.00 -0.36 0.00 0.00 55.97 55.26 1ael s LYS 37 Cb 0.00 0.05 0.15 0.00 -1.51 0.00 0.00 37.83 36.52 1ael s LYS 37 CO 0.00 -0.73 1.73 1.25 -0.36 0.00 0.00 175.35 177.24 1ael h LEU 38 N 6.00 0.07 -0.74 5.43 7.12 -1.61 -1.82 115.31 129.76 1ael h LEU 38 Ca 0.01 0.07 0.01 0.00 0.13 0.00 0.00 57.88 58.10 1ael h LEU 38 Cb 1.20 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1ael h LEU 38 CO 0.00 0.07 -0.88 0.41 -0.13 0.00 0.00 178.44 177.91 1ael n THR 39 N -5.07 -2.59 -3.70 1.05 -1.04 -0.96 0.12 114.28 102.09 1ael n THR 39 Ca 0.04 1.30 -0.13 0.00 -2.04 0.00 0.00 64.05 63.23 1ael n THR 39 Cb 0.21 -2.17 -0.13 0.00 -1.82 0.00 0.00 70.33 66.42 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 -5.27 -0.19 -0.09 12.58 1.01 0.35 -3.17 121.20 126.42 1ael s ILE 40 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1ael s ILE 40 Cb 0.00 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 42.09 1ael s ILE 40 CO 0.00 0.08 0.03 -0.89 0.00 0.00 0.00 174.94 174.16 1ael s THR 41 N 1.73 0.21 0.42 2.92 2.01 -1.11 0.17 115.64 122.00 1ael s THR 41 Ca -0.05 0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1ael s THR 41 Cb -0.11 -0.51 -0.09 0.00 0.01 0.00 0.00 72.50 71.80 1ael s THR 41 CO -0.09 0.11 1.03 -1.58 -0.69 0.00 0.00 174.62 173.41 1ael s GLN 42 N 2.03 4.09 0.00 4.92 0.74 -1.26 -0.30 119.66 129.88 1ael s GLN 42 Ca 0.04 1.42 0.00 0.00 0.05 0.00 0.00 55.36 56.87 1ael s GLN 42 Cb -0.13 -2.40 0.00 0.00 1.10 0.00 0.00 33.01 31.58 1ael s GLN 42 CO -0.05 -0.19 0.00 -1.91 -0.55 0.00 0.00 175.29 172.59 1ael n GLU 43 N -0.34 0.37 -2.00 1.67 0.00 0.28 -4.84 120.64 115.77 1ael n GLU 43 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.96 1ael n GLU 43 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.89 1ael n GLU 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ael s GLY 44 N -0.12 0.06 0.00 8.31 0.00 -1.26 -4.09 107.32 110.22 1ael s GLY 44 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1ael s GLY 44 CO 0.00 3.59 0.00 0.70 0.00 0.00 0.00 173.10 177.39 1ael n ASN 45 N 14.62 0.00 -4.16 1.64 4.13 -1.26 -4.91 115.26 125.32 1ael n ASN 45 Ca 0.42 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.37 1ael n ASN 45 Cb 0.47 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 38.88 1ael n ASN 45 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ael n LYS 46 N 0.00 -1.83 -3.74 3.52 4.81 0.11 -4.68 118.16 116.35 1ael n LYS 46 Ca 0.00 -0.52 -0.12 0.00 -0.87 0.00 0.00 58.31 56.80 1ael n LYS 46 Cb 0.00 -1.67 -0.11 0.00 0.02 0.00 0.00 35.03 33.27 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 -0.43 -1.20 5.64 -0.12 -1.10 0.98 117.98 119.56 1ael s PHE 47 Ca 0.54 1.00 -0.15 0.00 -0.05 0.00 0.00 56.93 58.27 1ael s PHE 47 Cb -0.11 0.15 0.15 0.00 -0.63 0.00 0.00 43.02 42.58 1ael s PHE 47 CO 0.62 -0.23 1.46 0.99 -0.05 0.00 0.00 175.22 178.01 1ael s THR 48 N 0.65 4.84 0.04 -4.49 2.01 0.59 -3.60 115.64 115.68 1ael s THR 48 Ca -0.04 -2.40 -0.15 0.00 0.31 0.00 0.00 61.69 59.41 1ael s THR 48 Cb -0.05 -4.95 -0.06 0.00 0.01 0.00 0.00 72.50 67.45 1ael s THR 48 CO -0.04 -1.69 0.45 -0.69 -0.69 0.00 0.00 174.62 171.96 1ael s VAL 49 N 2.16 4.97 0.00 3.82 1.01 -1.12 -2.75 120.40 128.50 1ael s VAL 49 Ca 0.44 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1ael s VAL 49 Cb -0.02 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ael s VAL 49 CO 0.00 0.50 0.00 0.29 0.00 0.00 0.00 175.10 175.89 1ael n LYS 50 N 1.56 0.00 -0.24 2.72 5.02 -0.82 -1.40 118.16 125.00 1ael n LYS 50 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1ael n LYS 50 Cb 0.52 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 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 -3.38 1.97 2.13 0.32 -1.71 120.64 119.97 1ael n GLU 51 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 1ael n GLU 51 Cb 0.00 -0.27 -0.01 0.00 0.27 0.00 0.00 31.44 31.43 1ael n GLU 51 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ael s SER 52 N -1.82 5.59 0.00 4.31 1.04 -0.91 -3.96 113.70 117.96 1ael s SER 52 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1ael s SER 52 Cb 0.00 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1ael s SER 52 CO 0.00 -0.57 0.00 -1.54 0.98 0.00 0.00 173.24 172.11 1ael n SER 53 N -1.65 0.00 -0.78 7.02 3.41 -1.26 -3.33 113.62 117.02 1ael n SER 53 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.62 1ael n SER 53 Cb 0.59 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.62 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 -1.43 -0.21 0.08 4.04 2.85 -1.26 -4.18 115.26 115.16 1ael n ASN 54 Ca 0.00 -1.59 0.00 0.00 -0.11 0.00 0.00 54.58 52.88 1ael n ASN 54 Cb 0.00 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1ael n ASN 54 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1ael n PHE 55 N 0.06 -3.05 -3.90 1.20 -1.74 -1.26 -4.94 117.46 103.82 1ael n PHE 55 Ca -0.08 0.55 -0.30 0.00 -0.56 0.00 0.00 57.45 57.05 1ael n PHE 55 Cb 0.67 1.66 -0.13 0.00 1.52 0.00 0.00 39.48 43.20 1ael n PHE 55 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1ael s ARG 56 N -2.00 2.27 -0.03 3.97 0.52 -1.26 -5.05 118.95 117.37 1ael s ARG 56 Ca 0.00 -2.94 -0.30 0.00 -0.52 0.00 0.00 55.73 51.97 1ael s ARG 56 Cb 0.00 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 1ael s ARG 56 CO 0.00 -1.19 1.45 -0.80 0.02 0.00 0.00 175.30 174.78 1ael s ASN 57 N -0.69 6.81 0.39 0.23 -0.87 -1.26 -4.41 114.94 115.14 1ael s ASN 57 Ca 0.21 2.11 -0.15 0.00 -1.57 0.00 0.00 52.86 53.45 1ael s ASN 57 Cb -0.16 -2.55 0.06 0.00 -0.02 0.00 0.00 41.25 38.57 1ael s ASN 57 CO -0.07 -0.78 0.79 -0.51 -2.57 0.00 0.00 177.10 173.96 1ael s ILE 58 N 2.87 0.00 -0.12 0.60 2.07 -1.25 -4.96 121.20 120.41 1ael s ILE 58 Ca 0.65 -1.00 -0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1ael s ILE 58 Cb -0.31 -2.92 0.02 0.00 0.13 0.00 0.00 42.46 39.38 1ael s ILE 58 CO 0.26 0.00 -0.09 1.51 -1.91 0.00 0.00 174.94 174.71 1ael s ASP 59 N -3.08 2.29 -0.23 4.50 -4.77 -1.24 -3.06 116.67 111.07 1ael s ASP 59 Ca 0.16 -0.34 -0.07 0.00 -3.30 0.00 0.00 52.55 48.99 1ael s ASP 59 Cb -0.05 -0.90 -0.03 0.00 -1.09 0.00 0.00 42.92 40.85 1ael s ASP 59 CO 0.12 -0.11 0.06 -0.69 0.70 0.00 0.00 175.17 175.24 1ael s VAL 60 N 1.67 4.29 -0.05 2.11 1.01 -0.49 -4.97 120.40 123.95 1ael s VAL 60 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1ael s VAL 60 Cb -0.13 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1ael s VAL 60 CO -0.09 0.37 -0.08 0.54 0.00 0.00 0.00 175.10 175.84 1ael s VAL 61 N 1.38 0.81 -0.14 2.92 0.11 -1.26 -2.79 120.40 121.42 1ael s VAL 61 Ca 0.05 -0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 58.53 1ael s VAL 61 Cb -0.15 -0.78 0.09 0.00 -1.53 0.00 0.00 36.38 34.01 1ael s VAL 61 CO 0.03 0.28 0.80 0.72 -3.33 0.00 0.00 175.10 173.60 1ael s PHE 62 N 0.82 -0.60 0.37 1.54 -0.71 -1.24 -4.97 117.98 113.20 1ael s PHE 62 Ca -0.12 1.15 0.34 0.00 -1.04 0.00 0.00 56.93 57.26 1ael s PHE 62 Cb -0.15 0.39 1.17 0.00 -1.21 0.00 0.00 43.02 43.22 1ael s PHE 62 CO 0.02 -0.47 1.06 0.39 -1.34 0.00 0.00 175.22 174.87 1ael n GLU 63 N 1.31 -0.00 0.00 1.99 1.02 -1.26 -2.69 120.64 121.00 1ael n GLU 63 Ca -0.15 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1ael n GLU 63 Cb 0.57 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.34 0.00 -0.47 -4.62 -0.00 -1.26 -0.72 117.00 106.59 1ael n LEU 64 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1ael n LEU 64 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.77 1ael n LEU 64 CO 0.29 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.29 1ael n GLY 65 N 2.99 0.57 2.94 1.47 0.00 0.36 -4.87 105.19 108.65 1ael n GLY 65 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.98 1.19 0.16 1.61 -7.23 -1.26 -4.92 120.40 107.97 1ael s VAL 66 Ca 0.00 -0.39 -0.31 0.00 -1.81 0.00 0.00 61.98 59.47 1ael s VAL 66 Cb 0.00 -1.17 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 1ael s VAL 66 CO 0.00 0.39 1.51 1.51 -0.31 0.00 0.00 175.10 178.20 1ael s ASP 67 N 1.62 6.66 -0.15 4.85 1.47 -1.25 -4.56 116.67 125.32 1ael s ASP 67 Ca 0.05 2.54 -0.04 0.00 1.18 0.00 0.00 52.55 56.28 1ael s ASP 67 Cb -0.13 -2.59 0.07 0.00 -0.34 0.00 0.00 42.92 39.93 1ael s ASP 67 CO -0.09 -0.77 0.26 -0.36 0.68 0.00 0.00 175.17 174.90 1ael s PHE 68 N 1.01 -0.41 -1.08 2.11 0.08 -1.22 -4.91 117.98 113.56 1ael s PHE 68 Ca 0.67 0.81 -0.18 0.00 0.12 0.00 0.00 56.93 58.35 1ael s PHE 68 Cb -0.42 -0.10 -0.07 0.00 -0.57 0.00 0.00 43.02 41.86 1ael s PHE 68 CO 0.32 -0.42 2.06 0.00 -0.10 0.00 0.00 175.22 177.08 1ael n ALA 69 N 5.35 4.28 -3.89 5.36 0.00 -1.26 -2.69 120.51 127.66 1ael n ALA 69 Ca -0.06 -3.57 -0.33 0.00 0.00 0.00 0.00 53.44 49.48 1ael n ALA 69 Cb 0.50 -3.59 -0.14 0.00 0.00 0.00 0.00 19.45 16.21 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 4.27 3.30 0.50 0.00 5.04 -1.26 -4.70 117.35 124.49 1ael s TYR 70 Ca 0.53 -2.18 -0.22 0.00 -2.44 0.00 0.00 57.07 52.76 1ael s TYR 70 Cb 0.14 -2.07 -0.08 0.00 0.35 0.00 0.00 41.96 40.30 1ael s TYR 70 CO 0.03 -0.85 1.04 -1.13 -1.34 0.00 0.00 175.55 173.29 1ael n SER 71 N 4.50 1.30 -4.56 4.32 3.41 -1.25 -1.58 113.62 119.76 1ael n SER 71 Ca -0.13 0.95 -0.35 0.00 -0.26 0.00 0.00 58.87 59.08 1ael n SER 71 Cb 0.43 -1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 62.94 1ael n SER 71 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ael s LEU 72 N -1.42 3.34 -0.35 1.04 1.98 -1.26 -4.35 118.68 117.66 1ael s LEU 72 Ca 0.68 -1.01 -0.01 0.00 -2.89 0.00 0.00 54.13 50.90 1ael s LEU 72 Cb -0.48 -2.56 0.00 0.00 0.66 0.00 0.00 46.19 43.81 1ael s LEU 72 CO 0.53 -2.04 0.27 0.00 -1.89 0.00 0.00 176.35 173.21 1ael n ALA 73 N 11.03 -1.78 -1.18 5.97 0.00 -1.26 -1.70 120.51 131.59 1ael n ALA 73 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ael n ALA 73 Cb 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.78 -0.75 -1.20 0.00 9.92 -1.26 -5.02 116.55 117.46 1ael n ASP 74 Ca -0.14 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.06 1ael n ASP 74 Cb 0.31 -0.31 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ael n GLY 75 N -1.17 5.31 5.00 0.44 0.00 -0.69 -4.42 105.19 109.66 1ael n GLY 75 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.04 0.00 -3.57 2.61 5.66 -1.26 -4.44 114.28 112.24 1ael n THR 76 Ca 0.32 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.24 1ael n THR 76 Cb 0.90 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.64 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 0.00 0.53 -0.34 1.09 8.01 -1.26 -3.90 118.70 122.82 1ael s GLU 77 Ca 0.00 0.00 0.15 0.00 0.01 0.00 0.00 54.97 55.14 1ael s GLU 77 Cb 0.00 0.25 0.43 0.00 -4.31 0.00 0.00 34.13 30.49 1ael s GLU 77 CO 0.00 -0.19 0.97 -0.11 0.01 0.00 0.00 175.26 175.94 1ael n LEU 78 N 0.39 0.76 -4.58 1.80 0.00 -0.62 -4.10 117.00 110.66 1ael n LEU 78 Ca -0.07 -3.89 -0.27 0.00 0.00 0.00 0.00 56.01 51.78 1ael n LEU 78 Cb 0.59 0.44 -0.06 0.00 0.00 0.00 0.00 43.42 44.38 1ael n LEU 78 CO 0.13 1.75 1.44 0.28 0.00 0.00 0.00 177.39 180.99 1ael s THR 79 N -2.45 3.48 0.26 1.96 -1.32 -1.09 -4.43 115.64 112.05 1ael s THR 79 Ca 0.28 -0.76 -0.07 0.00 -1.21 0.00 0.00 61.69 59.93 1ael s THR 79 Cb 0.43 -4.42 -0.01 0.00 -1.51 0.00 0.00 72.50 66.98 1ael s THR 79 CO -0.00 -0.90 0.39 -0.83 -2.21 0.00 0.00 174.62 171.07 1ael s GLY 80 N 6.94 1.02 -0.62 6.08 0.00 -1.21 -3.65 107.32 115.87 1ael s GLY 80 Ca 0.70 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 44.19 1ael s GLY 80 CO 0.12 -0.92 0.39 -0.51 0.00 0.00 0.00 173.10 172.18 1ael s THR 81 N -3.80 2.97 0.32 0.90 -4.23 -1.26 -3.42 115.64 107.12 1ael s THR 81 Ca 0.29 -3.61 -0.29 0.00 -1.18 0.00 0.00 61.69 56.90 1ael s THR 81 Cb 0.01 -2.99 -0.11 0.00 1.34 0.00 0.00 72.50 70.75 1ael s THR 81 CO 0.13 -0.89 1.55 0.26 -0.54 0.00 0.00 174.62 175.12 1ael s TRP 82 N -0.70 2.72 0.25 3.99 0.52 -1.24 -4.47 118.94 120.01 1ael s TRP 82 Ca 0.20 0.93 -0.09 0.00 0.02 0.00 0.00 56.10 57.16 1ael s TRP 82 Cb -0.17 -4.03 -0.01 0.00 -1.15 0.00 0.00 33.47 28.10 1ael s TRP 82 CO -0.06 -3.32 0.41 0.95 0.02 0.00 0.00 176.95 174.95 1ael s THR 83 N -0.38 0.00 0.00 2.01 -4.23 -1.26 0.14 115.64 111.91 1ael s THR 83 Ca 0.59 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1ael s THR 83 Cb -0.47 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1ael s THR 83 CO 0.53 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.76 1ael n MET 84 N -0.39 0.82 -1.60 3.99 0.00 -1.26 0.22 117.12 118.91 1ael n MET 84 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 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 0.25 -4.76 120.64 121.67 1ael n GLU 85 Ca 0.00 -0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.58 1ael n GLU 85 Cb 0.00 0.14 0.00 0.00 0.27 0.00 0.00 31.44 31.85 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 -0.28 1.38 0.04 8.31 0.00 -1.26 -3.85 105.19 109.53 1ael n GLY 86 Ca -0.04 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 2.93 0.14 -3.65 1.61 2.85 -1.26 -4.70 115.26 113.18 1ael n ASN 87 Ca 0.00 0.56 0.01 0.00 -0.11 0.00 0.00 54.58 55.04 1ael n ASN 87 Cb 0.00 -0.58 -0.06 0.00 1.24 0.00 0.00 39.78 40.38 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1ael s LYS 88 N -3.12 0.06 0.29 1.20 -2.85 -1.16 -4.13 119.74 110.04 1ael s LYS 88 Ca 0.01 0.10 -0.05 0.00 -1.00 0.00 0.00 55.97 55.03 1ael s LYS 88 Cb 0.03 0.02 0.08 0.00 -2.06 0.00 0.00 37.83 35.89 1ael s LYS 88 CO 0.10 -0.01 0.21 -0.11 0.10 0.00 0.00 175.35 175.64 1ael n LEU 89 N 2.83 0.00 0.00 2.77 0.00 -1.25 0.84 117.00 122.19 1ael n LEU 89 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 56.01 55.64 1ael n LEU 89 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 43.42 43.77 1ael n LEU 89 CO 0.05 -1.56 0.00 0.52 0.00 0.00 0.00 177.39 176.40 1ael n VAL 90 N -3.35 0.00 0.00 1.96 0.31 0.60 -4.52 118.33 113.33 1ael n VAL 90 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1ael n VAL 90 Cb 0.13 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1ael n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ael n GLY 91 N 0.07 0.86 7.00 2.92 0.00 -0.50 -3.05 105.19 112.49 1ael n GLY 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -2.97 1.61 4.76 -1.26 -3.66 118.16 116.64 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 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -1.85 117.46 117.14 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 -1.10 -3.34 118.16 122.71 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 1.53 0.00 1.97 5.12 -1.26 -2.87 116.66 121.15 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 -0.47 0.00 0.09 1.55 0.31 -1.26 -4.02 118.33 114.54 1ael n VAL 96 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 1ael n VAL 96 Cb 0.00 -0.33 0.64 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.00 0.00 4.52 1.82 -1.87 -3.38 116.42 117.51 1ael h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ael h ASP 97 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1ael h ASP 97 CO 0.00 0.00 0.00 -3.20 -1.61 0.00 0.00 179.24 174.43 1ael n ASN 98 N -3.35 0.00 -0.42 2.28 2.85 -1.26 -5.10 115.26 110.26 1ael n ASN 98 Ca 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1ael n ASN 98 Cb 0.79 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.81 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 -0.04 -0.90 2.76 8.20 0.00 -1.26 -4.97 105.19 108.99 1ael n GLY 99 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.01 0.77 -3.09 1.61 4.01 -1.26 -4.79 118.16 115.41 1ael n LYS 100 Ca 0.00 -2.28 -0.16 0.00 -0.51 0.00 0.00 58.31 55.36 1ael n LYS 100 Cb 0.00 -0.06 -0.01 0.00 -0.51 0.00 0.00 35.03 34.45 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 -1.78 0.97 -0.24 1.97 4.71 -1.04 -2.70 120.64 122.54 1ael n GLU 101 Ca 0.08 -3.05 -0.12 0.00 -0.01 0.00 0.00 57.16 54.06 1ael n GLU 101 Cb 0.43 -1.54 -0.09 0.00 -1.01 0.00 0.00 31.44 29.22 1ael n GLU 101 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1ael h LEU 102 N 3.05 -1.87 -1.11 -4.62 4.07 -1.74 -2.04 115.31 111.05 1ael h LEU 102 Ca 0.05 0.26 -0.32 0.00 0.08 0.00 0.00 57.88 57.95 1ael h LEU 102 Cb 0.99 0.79 0.13 0.00 1.08 0.00 0.00 40.66 43.65 1ael h LEU 102 CO 0.42 -0.32 -0.60 -0.38 -1.08 0.00 0.00 178.44 176.48 1ael n ILE 103 N -5.18 -3.29 -1.42 1.22 2.08 -0.77 0.41 119.36 112.42 1ael n ILE 103 Ca -0.01 -0.12 -0.11 0.00 0.56 0.00 0.00 62.75 63.06 1ael n ILE 103 Cb 0.29 -3.92 -0.09 0.00 -0.75 0.00 0.00 39.64 35.17 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 -4.37 0.40 -1.07 -1.39 0.00 -1.17 -3.68 120.51 109.23 1ael n ALA 104 Ca -0.06 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1ael n ALA 104 Cb 0.58 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 7.47 0.00 0.00 0.00 0.31 0.59 -1.41 118.33 125.29 1ael n VAL 105 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1ael n VAL 105 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.63 0.46 -4.38 116.66 118.92 1ael n ARG 106 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ael n ARG 106 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1ael n ARG 106 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ael n GLU 107 N 0.00 0.00 -1.60 -0.14 -0.58 -1.24 0.21 120.64 117.30 1ael n GLU 107 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1ael n GLU 107 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 1ael n GLU 107 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1ael n ILE 108 N 0.00 -4.20 -3.61 -3.67 3.06 -1.26 -2.96 119.36 106.71 1ael n ILE 108 Ca 0.00 0.36 -0.02 0.00 -2.50 0.00 0.00 62.75 60.59 1ael n ILE 108 Cb 0.00 -3.85 -0.05 0.00 0.54 0.00 0.00 39.64 36.29 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 -0.08 -1.00 0.00 9.51 0.15 -1.26 -4.80 113.70 116.21 1ael s SER 109 Ca -0.03 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1ael s SER 109 Cb 0.00 1.99 0.00 0.00 -1.71 0.00 0.00 66.02 66.30 1ael s SER 109 CO 0.09 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ael n GLY 110 N 5.08 0.00 1.98 9.45 0.00 -1.26 -4.25 105.19 116.19 1ael n GLY 110 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 1.62 -2.82 0.00 1.61 3.02 -1.26 -5.04 115.26 112.39 1ael n ASN 111 Ca 0.00 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.40 1ael n ASN 111 Cb 0.17 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 1ael n ASN 111 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1ael n GLU 112 N 0.97 -0.20 0.00 3.52 -0.00 -1.26 -4.96 120.64 118.71 1ael n GLU 112 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1ael n GLU 112 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.68 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ael n LEU 113 N 0.00 0.00 -4.56 -1.84 4.77 -1.17 -4.18 117.00 110.02 1ael n LEU 113 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1ael n LEU 113 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1ael n LEU 113 CO 0.00 0.00 1.78 -0.63 -1.33 0.00 0.00 177.39 177.21 1ael s ILE 114 N -0.11 4.17 0.64 -0.08 -1.09 0.56 -3.91 121.20 121.39 1ael s ILE 114 Ca 0.00 -1.71 0.14 0.00 -2.23 0.00 0.00 60.65 56.85 1ael s ILE 114 Cb 0.00 -5.13 0.18 0.00 -1.58 0.00 0.00 42.46 35.93 1ael s ILE 114 CO 0.00 -1.96 1.26 1.56 -1.23 0.00 0.00 174.94 174.57 1ael h GLN 115 N 8.08 0.00 -3.17 2.79 1.08 -1.76 1.34 115.11 123.47 1ael h GLN 115 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1ael h GLN 115 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1ael h GLN 115 CO 1.42 0.00 0.00 2.41 -0.95 0.00 0.00 178.83 181.71 1ael n THR 116 N -2.85 0.00 -3.53 -0.54 -1.04 -1.22 -0.30 114.28 104.80 1ael n THR 116 Ca 0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 1ael n THR 116 Cb 1.07 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.48 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 -1.53 3.27 -1.04 -1.42 1.51 -1.23 -3.14 117.35 113.78 1ael s TYR 117 Ca 0.00 -1.06 -0.02 0.00 -1.01 0.00 0.00 57.07 54.99 1ael s TYR 117 Cb 0.00 -2.77 0.32 0.00 -0.11 0.00 0.00 41.96 39.39 1ael s TYR 117 CO 0.00 -0.73 1.74 2.41 -1.11 0.00 0.00 175.55 177.86 1ael n THR 118 N 5.05 5.93 0.01 -0.71 -1.04 1.37 -1.57 114.28 123.32 1ael n THR 118 Ca -0.11 -5.98 0.00 0.00 -2.04 0.00 0.00 64.05 55.92 1ael n THR 118 Cb 0.45 -1.68 0.02 0.00 -1.82 0.00 0.00 70.33 67.30 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 0.27 0.03 -1.39 -1.42 4.11 -0.77 -3.92 117.16 114.08 1ael n TYR 119 Ca 0.42 0.01 -0.01 0.00 -0.00 0.00 0.00 57.90 58.33 1ael n TYR 119 Cb 0.28 -0.46 -0.01 0.00 -0.00 0.00 0.00 39.34 39.15 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 -1.47 0.00 0.00 -3.48 4.07 -1.26 -2.49 120.64 116.01 1ael n GLU 120 Ca -0.00 -0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 1ael n GLU 120 Cb 0.06 0.13 0.00 0.00 -0.06 0.00 0.00 31.44 31.57 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 1.13 0.66 8.31 0.00 -1.25 -5.00 105.19 109.03 1ael n GLY 121 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.68 1.30 -0.79 1.61 0.31 -1.26 -5.12 118.33 112.69 1ael n VAL 122 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 1ael n VAL 122 Cb 0.00 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 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 -3.84 -2.03 -4.08 5.55 2.13 -1.13 -4.94 120.64 112.31 1ael n GLU 123 Ca -0.05 1.52 -0.32 0.00 0.66 0.00 0.00 57.16 58.96 1ael n GLU 123 Cb 0.20 -1.60 -0.15 0.00 0.27 0.00 0.00 31.44 30.16 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 2.45 0.06 4.31 0.00 -0.61 -4.61 121.76 122.21 1ael s ALA 124 Ca 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1ael s ALA 124 Cb 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1ael s ALA 124 CO 0.00 -0.93 0.11 1.63 0.00 0.00 0.00 175.76 176.56 1ael n LYS 125 N 4.51 0.15 0.00 0.00 4.01 -0.81 -3.40 118.16 122.62 1ael n LYS 125 Ca -0.16 -0.40 0.00 0.00 -0.51 0.00 0.00 58.31 57.24 1ael n LYS 125 Cb 0.45 0.44 0.00 0.00 -0.51 0.00 0.00 35.03 35.41 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 -0.09 0.00 0.00 1.97 5.12 -1.26 0.17 116.66 122.57 1ael n ARG 126 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1ael n ARG 126 Cb 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 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 -0.96 0.55 -0.00 -1.25 -4.80 119.36 112.90 1ael n ILE 127 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.39 1ael n ILE 127 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.64 39.70 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 -1.21 -4.36 0.08 1.39 1.16 -1.24 0.53 117.46 113.82 1ael n PHE 128 Ca 0.00 0.04 0.03 0.00 -1.87 0.00 0.00 57.45 55.65 1ael n PHE 128 Cb 0.00 -1.49 0.05 0.00 -1.61 0.00 0.00 39.48 36.42 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 1.69 1.27 0.00 3.97 4.81 -1.25 -3.33 118.16 125.31 1ael n LYS 129 Ca -0.00 -1.28 0.00 0.00 -0.87 0.00 0.00 58.31 56.16 1ael n LYS 129 Cb 0.56 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.50 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 0.17 0.00 0.00 1.64 0.00 -1.26 -4.72 118.16 113.99 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.26 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49