#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 -1.94 0.00 -0.00 -1.26 -4.83 117.46 109.43 1ael n PHE 2 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.16 1ael n PHE 2 Cb 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 39.48 39.64 1ael n PHE 2 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1ael s ASP 3 N 0.00 3.47 0.00 -2.13 -4.77 -1.26 -4.47 116.67 107.51 1ael s ASP 3 Ca 0.00 0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 1ael s ASP 3 Cb 0.00 -0.53 0.00 0.00 -1.09 0.00 0.00 42.92 41.30 1ael s ASP 3 CO 0.00 -2.52 0.00 0.61 0.70 0.00 0.00 175.17 173.96 1ael n GLY 4 N -3.64 1.23 3.32 2.12 0.00 0.53 -4.77 105.19 103.98 1ael n GLY 4 Ca 0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 0.06 -0.22 2.61 -4.23 -1.26 -3.78 115.64 108.82 1ael s THR 5 Ca 0.00 -0.52 -0.36 0.00 -1.18 0.00 0.00 61.69 59.63 1ael s THR 5 Cb 0.00 -1.09 0.15 0.00 1.34 0.00 0.00 72.50 72.90 1ael s THR 5 CO 0.00 -0.29 1.30 0.26 -0.54 0.00 0.00 174.62 175.36 1ael s TRP 6 N -3.32 -0.07 0.00 3.99 0.23 -1.26 -3.94 118.94 114.57 1ael s TRP 6 Ca -0.00 0.04 0.00 0.00 -2.03 0.00 0.00 56.10 54.10 1ael s TRP 6 Cb 0.01 0.51 0.00 0.00 0.03 0.00 0.00 33.47 34.02 1ael s TRP 6 CO -0.09 -0.11 0.00 1.63 0.96 0.00 0.00 176.95 179.34 1ael n LYS 7 N -0.09 0.00 -2.88 4.98 5.02 -1.26 -1.16 118.16 122.77 1ael n LYS 7 Ca 0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 1ael n LYS 7 Cb 0.58 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.64 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 -0.06 -0.31 -0.18 0.31 -1.21 -3.56 118.33 113.31 1ael n VAL 8 Ca 0.00 -2.47 0.10 0.00 -0.01 0.00 0.00 64.34 61.97 1ael n VAL 8 Cb 0.00 0.91 0.21 0.00 -0.91 0.00 0.00 33.84 34.05 1ael n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ael n ASP 9 N 0.41 -0.18 -4.19 4.52 -0.08 0.13 -4.63 116.55 112.53 1ael n ASP 9 Ca 0.12 1.52 -0.22 0.00 -1.51 0.00 0.00 54.79 54.70 1ael n ASP 9 Cb 0.68 -0.52 -0.09 0.00 2.34 0.00 0.00 41.12 43.53 1ael n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ael s ARG 10 N -5.96 1.74 -0.27 -0.67 3.03 -0.77 -5.00 118.95 111.05 1ael s ARG 10 Ca -0.12 -2.02 -0.01 0.00 2.03 0.00 0.00 55.73 55.62 1ael s ARG 10 Cb 0.25 -0.53 0.16 0.00 -1.03 0.00 0.00 34.95 33.80 1ael s ARG 10 CO 0.70 -0.38 0.46 0.54 -1.13 0.00 0.00 175.30 175.48 1ael s ASN 11 N -3.50 -0.29 -0.09 -2.89 2.20 -1.26 -4.17 114.94 104.94 1ael s ASN 11 Ca 0.31 0.25 -0.02 0.00 -0.94 0.00 0.00 52.86 52.46 1ael s ASN 11 Cb 0.05 1.45 -0.03 0.00 -2.00 0.00 0.00 41.25 40.72 1ael s ASN 11 CO 0.15 -0.30 0.00 -1.83 -2.94 0.00 0.00 177.10 172.18 1ael s GLU 12 N 2.65 2.98 -1.27 3.55 -1.05 0.17 -4.44 118.70 121.29 1ael s GLU 12 Ca 0.14 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1ael s GLU 12 Cb -0.14 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.76 1ael s GLU 12 CO -0.21 0.70 0.00 0.09 0.95 0.00 0.00 175.26 176.79 1ael n ASN 13 N 2.14 -3.44 0.02 0.83 3.02 -1.26 -2.26 115.26 114.30 1ael n ASN 13 Ca -0.19 0.30 -0.18 0.00 -0.03 0.00 0.00 54.58 54.48 1ael n ASN 13 Cb 0.54 -3.14 -0.12 0.00 -0.61 0.00 0.00 39.78 36.45 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 0.63 -0.31 3.10 5.03 -1.87 -2.68 116.97 120.88 1ael h TYR 14 Ca -0.25 -0.36 -0.05 0.00 2.58 0.00 0.00 58.73 60.65 1ael h TYR 14 Cb 0.83 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.03 1ael h TYR 14 CO 0.37 1.20 -0.02 1.49 -1.32 0.00 0.00 178.16 179.88 1ael h GLU 15 N -0.11 0.55 0.00 1.82 4.81 -1.88 -2.85 114.58 116.92 1ael h GLU 15 Ca -0.09 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1ael h GLU 15 Cb 1.40 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 1ael h GLU 15 CO 0.13 0.70 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.89 1ael h LYS 16 N 0.34 0.00 -0.02 1.92 3.64 -1.97 -1.41 116.57 119.07 1ael h LYS 16 Ca 0.08 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1ael h LYS 16 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1ael h LYS 16 CO 0.02 0.00 -0.82 0.35 -2.27 0.00 0.00 179.45 176.73 1ael h PHE 17 N 0.00 0.38 0.00 1.91 3.57 -1.33 -3.07 116.94 118.40 1ael h PHE 17 Ca -0.00 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 1ael h PHE 17 Cb 0.71 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1ael h PHE 17 CO 0.00 0.97 -0.00 0.52 -2.23 0.00 0.00 178.31 177.57 1ael h MET 18 N 0.16 -0.01 -0.58 1.11 2.86 -1.45 -3.38 114.93 113.64 1ael h MET 18 Ca -0.04 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1ael h MET 18 Cb 1.42 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.97 1ael h MET 18 CO 0.13 0.85 -0.35 1.49 1.06 0.00 0.00 176.91 180.09 1ael h GLU 19 N -0.97 -0.17 -0.14 1.72 4.57 -1.32 -2.47 114.58 115.80 1ael h GLU 19 Ca -0.00 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1ael h GLU 19 Cb 0.86 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1ael h GLU 19 CO 0.00 -0.11 0.26 0.87 -1.18 0.00 0.00 179.01 178.84 1ael h LYS 20 N -0.18 0.00 0.00 1.92 1.79 -1.71 -0.25 116.57 118.14 1ael h LYS 20 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1ael h LYS 20 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1ael h LYS 20 CO -0.67 0.00 -0.52 -1.33 -1.08 0.00 0.00 179.45 175.84 1ael n MET 21 N -3.42 0.07 0.00 3.15 0.00 -0.94 -4.90 117.12 111.07 1ael n MET 21 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1ael n MET 21 Cb 0.36 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.04 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 1.46 0.58 3.55 3.03 0.00 -0.13 -3.94 105.19 109.74 1ael n GLY 22 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.28 3.45 0.72 -0.61 1.09 -1.06 -4.61 121.20 118.89 1ael s ILE 23 Ca 0.00 0.26 -0.12 0.00 -1.10 0.00 0.00 60.65 59.68 1ael s ILE 23 Cb 0.00 -4.19 0.17 0.00 -1.06 0.00 0.00 42.46 37.38 1ael s ILE 23 CO 0.00 -1.15 0.77 0.59 -0.10 0.00 0.00 174.94 175.04 1ael n ASN 24 N 11.89 -0.92 0.33 3.58 5.03 -1.26 -4.22 115.26 129.69 1ael n ASN 24 Ca 0.16 -1.10 0.22 0.00 0.87 0.00 0.00 54.58 54.74 1ael n ASN 24 Cb 0.51 -0.65 1.16 0.00 -1.02 0.00 0.00 39.78 39.78 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1ael h VAL 25 N -1.94 0.00 -0.28 2.41 -1.51 -2.00 -3.21 116.25 109.72 1ael h VAL 25 Ca -0.27 -0.07 0.08 0.00 -1.23 0.00 0.00 66.70 65.22 1ael h VAL 25 Cb 0.78 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1ael h VAL 25 CO 0.18 0.00 0.56 -0.37 -1.23 0.00 0.00 177.57 176.71 1ael h VAL 26 N 0.00 0.14 0.08 7.19 -1.51 -1.96 1.80 116.25 121.98 1ael h VAL 26 Ca -0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.22 1ael h VAL 26 Cb 0.07 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1ael h VAL 26 CO 0.00 0.00 -1.14 0.11 -1.23 0.00 0.00 177.57 175.31 1ael h LYS 27 N 0.00 0.18 -0.00 5.19 1.79 -1.90 -3.17 116.57 118.66 1ael h LYS 27 Ca 0.13 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1ael h LYS 27 Cb 1.25 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1ael h LYS 27 CO -0.00 1.13 0.03 -0.09 -1.08 0.00 0.00 179.45 179.44 1ael h ARG 28 N 0.05 0.00 -3.20 3.15 2.43 0.25 0.39 114.38 117.45 1ael h ARG 28 Ca -0.09 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 58.33 1ael h ARG 28 Cb 1.87 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 31.28 1ael h ARG 28 CO 0.17 0.00 2.17 1.63 -1.51 0.00 0.00 179.97 182.43 1ael n LYS 29 N -3.14 3.94 -2.13 0.20 4.76 -1.17 -4.58 118.16 116.04 1ael n LYS 29 Ca -0.03 -3.50 -0.03 0.00 -2.87 0.00 0.00 58.31 51.88 1ael n LYS 29 Cb 0.10 -2.82 0.00 0.00 -1.84 0.00 0.00 35.03 30.47 1ael n LYS 29 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ael n LEU 30 N 3.14 -4.86 -0.53 -0.35 4.77 -1.16 -5.02 117.00 112.98 1ael n LEU 30 Ca 0.47 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.77 1ael n LEU 30 Cb 0.32 -2.15 -0.02 0.00 -2.33 0.00 0.00 43.42 39.24 1ael n LEU 30 CO 0.78 -1.21 0.17 0.61 -1.33 0.00 0.00 177.39 176.41 1ael n GLY 31 N -0.27 0.35 1.43 -0.72 0.00 0.13 -4.89 105.19 101.22 1ael n GLY 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ael n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ael n ALA 32 N 0.00 3.00 0.31 4.61 0.00 -1.26 -4.74 120.51 122.42 1ael n ALA 32 Ca -0.08 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.55 1ael n ALA 32 Cb 0.40 0.12 0.97 0.00 0.00 0.00 0.00 19.45 20.94 1ael n ALA 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ael h HIS 33 N 0.00 0.00 -0.48 0.00 -0.00 -1.96 -3.43 115.15 109.28 1ael h HIS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1ael h HIS 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1ael h HIS 33 CO 0.00 0.03 0.00 -0.25 -0.00 0.00 0.00 177.93 177.71 1ael n ASP 34 N -3.31 0.00 -0.01 3.26 8.00 -1.26 -4.95 116.55 118.28 1ael n ASP 34 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1ael n ASP 34 Cb 0.15 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1ael n ASP 34 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ael n ASN 35 N 0.00 -0.04 0.00 -2.24 2.85 -1.26 -4.85 115.26 109.71 1ael n ASN 35 Ca 0.00 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1ael n ASN 35 Cb 0.00 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.00 1ael n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ael n LEU 36 N -2.12 0.00 -4.41 1.20 -0.00 -1.26 -4.40 117.00 106.01 1ael n LEU 36 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1ael n LEU 36 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1ael n LEU 36 CO 0.00 0.00 1.21 1.17 -0.00 0.00 0.00 177.39 179.77 1ael n LYS 37 N 0.00 0.14 -0.24 1.47 4.81 -1.24 -3.31 118.16 119.79 1ael n LYS 37 Ca 0.00 -0.85 0.04 0.00 -0.87 0.00 0.00 58.31 56.63 1ael n LYS 37 Cb 0.00 -2.71 0.16 0.00 0.02 0.00 0.00 35.03 32.50 1ael n LYS 37 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1ael h LEU 38 N 17.38 0.09 -0.79 3.14 7.12 -1.36 0.12 115.31 141.00 1ael h LEU 38 Ca 0.01 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1ael h LEU 38 Cb 1.02 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1ael h LEU 38 CO 1.08 0.02 -0.88 0.41 -0.13 0.00 0.00 178.44 178.94 1ael n THR 39 N -5.10 -3.16 -4.33 1.05 -1.04 -0.31 0.12 114.28 101.51 1ael n THR 39 Ca 0.13 1.54 -0.18 0.00 -2.04 0.00 0.00 64.05 63.49 1ael n THR 39 Cb 0.40 -2.42 -0.15 0.00 -1.82 0.00 0.00 70.33 66.35 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 -4.92 0.66 -0.08 12.58 1.01 -1.25 -2.11 121.20 127.09 1ael s ILE 40 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1ael s ILE 40 Cb 0.00 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1ael s ILE 40 CO 0.00 0.19 -0.05 -0.89 0.00 0.00 0.00 174.94 174.20 1ael s THR 41 N -0.08 0.69 0.00 2.92 2.01 -1.03 0.20 115.64 120.36 1ael s THR 41 Ca 0.01 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1ael s THR 41 Cb -0.05 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1ael s THR 41 CO -0.00 0.29 1.09 -1.58 -0.69 0.00 0.00 174.62 173.73 1ael s GLN 42 N 1.47 4.47 0.35 4.92 0.74 -1.26 -1.60 119.66 128.75 1ael s GLN 42 Ca -0.01 1.58 0.04 0.00 0.05 0.00 0.00 55.36 57.01 1ael s GLN 42 Cb -0.13 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1ael s GLN 42 CO -0.04 -0.21 0.16 -2.00 -0.55 0.00 0.00 175.29 172.65 1ael s GLU 43 N 1.31 1.75 -0.99 1.67 2.56 0.25 -4.90 118.70 120.36 1ael s GLU 43 Ca 0.55 -2.03 -0.24 0.00 0.00 0.00 0.00 54.97 53.25 1ael s GLU 43 Cb -0.24 -0.27 -0.03 0.00 2.00 0.00 0.00 34.13 35.58 1ael s GLU 43 CO 0.26 -0.48 1.84 0.20 -0.56 0.00 0.00 175.26 176.53 1ael s GLY 44 N -3.47 0.45 -0.88 -1.50 0.00 -1.26 -3.02 107.32 97.64 1ael s GLY 44 Ca 0.32 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1ael s GLY 44 CO 0.18 3.32 0.00 0.70 0.00 0.00 0.00 173.10 177.29 1ael n ASN 45 N 12.84 -4.12 -4.05 1.64 5.03 -1.26 -4.99 115.26 120.34 1ael n ASN 45 Ca 0.40 0.20 -0.10 0.00 0.87 0.00 0.00 54.58 55.96 1ael n ASN 45 Cb 0.48 -2.35 -0.08 0.00 -1.02 0.00 0.00 39.78 36.81 1ael n ASN 45 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1ael s LYS 46 N -2.59 1.22 -0.15 3.52 2.20 -1.17 -0.84 119.74 121.94 1ael s LYS 46 Ca 0.00 -1.34 -0.04 0.00 -0.36 0.00 0.00 55.97 54.23 1ael s LYS 46 Cb 0.00 0.35 0.06 0.00 -1.51 0.00 0.00 37.83 36.73 1ael s LYS 46 CO 0.00 -0.44 0.13 -0.06 -0.36 0.00 0.00 175.35 174.62 1ael s PHE 47 N -4.04 -0.01 -0.95 4.03 0.08 -1.10 0.86 117.98 116.85 1ael s PHE 47 Ca 0.25 0.04 -0.23 0.00 0.12 0.00 0.00 56.93 57.11 1ael s PHE 47 Cb 0.04 -0.51 0.06 0.00 -0.57 0.00 0.00 43.02 42.04 1ael s PHE 47 CO 0.05 -0.46 1.36 0.99 -0.10 0.00 0.00 175.22 177.07 1ael s THR 48 N 2.22 4.01 0.19 0.64 2.01 -0.63 -3.31 115.64 120.78 1ael s THR 48 Ca 0.04 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.26 1ael s THR 48 Cb -0.15 -4.99 -0.07 0.00 0.01 0.00 0.00 72.50 67.31 1ael s THR 48 CO -0.09 -1.85 0.52 0.68 -0.69 0.00 0.00 174.62 173.19 1ael s VAL 49 N 4.75 4.96 0.00 3.82 -7.23 0.79 -2.47 120.40 125.02 1ael s VAL 49 Ca 0.42 0.47 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 1ael s VAL 49 Cb -0.02 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1ael s VAL 49 CO -0.05 0.02 0.00 1.17 -0.31 0.00 0.00 175.10 175.92 1ael n LYS 50 N 0.11 0.00 0.00 4.82 4.81 0.12 0.91 118.16 128.93 1ael n LYS 50 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 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 -2.13 1.64 2.13 0.70 -2.70 120.64 120.27 1ael n GLU 51 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1ael n GLU 51 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 7.33 -3.01 4.31 2.88 -0.95 -4.10 113.62 120.08 1ael n SER 52 Ca 0.00 -3.17 -0.01 0.00 -1.33 0.00 0.00 58.87 54.36 1ael n SER 52 Cb 0.00 -1.37 0.01 0.00 -0.75 0.00 0.00 64.21 62.10 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 2.07 -1.97 -1.62 -3.46 3.41 -1.26 -4.36 113.62 106.42 1ael n SER 53 Ca 0.56 -0.02 -0.03 0.00 -0.26 0.00 0.00 58.87 59.11 1ael n SER 53 Cb 0.27 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.93 5.43 0.09 4.04 4.05 -1.26 -4.48 115.26 120.20 1ael n ASN 54 Ca 0.00 -2.48 0.00 0.00 0.45 0.00 0.00 54.58 52.55 1ael n ASN 54 Cb 0.02 -1.17 0.00 0.00 1.23 0.00 0.00 39.78 39.86 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 1.56 -3.08 -3.33 1.20 3.72 -1.26 -4.81 117.46 111.46 1ael n PHE 55 Ca 0.10 0.62 -0.35 0.00 -0.05 0.00 0.00 57.45 57.76 1ael n PHE 55 Cb 0.57 1.79 -0.04 0.00 -0.94 0.00 0.00 39.48 40.86 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 -2.79 3.29 -1.64 -1.08 0.63 -1.26 -5.02 116.66 108.79 1ael n ARG 56 Ca 0.00 -4.58 -0.55 0.00 -0.92 0.00 0.00 57.85 51.80 1ael n ARG 56 Cb 0.00 -2.40 -0.07 0.00 0.45 0.00 0.00 32.46 30.45 1ael n ARG 56 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1ael n ASN 57 N 1.42 2.48 0.00 6.15 2.85 -1.26 -4.64 115.26 122.26 1ael n ASN 57 Ca 0.26 0.90 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 1ael n ASN 57 Cb 0.37 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 40.19 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 5.32 0.00 -4.29 -1.44 3.06 -1.26 -5.00 119.36 115.75 1ael n ILE 58 Ca 0.30 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 60.33 1ael n ILE 58 Cb 0.17 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.23 1ael n ILE 58 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 1ael s ASP 59 N 0.00 2.46 -0.10 9.51 -4.77 -1.26 -2.98 116.67 119.52 1ael s ASP 59 Ca 0.00 -0.76 0.03 0.00 -3.30 0.00 0.00 52.55 48.52 1ael s ASP 59 Cb 0.00 -0.13 0.01 0.00 -1.09 0.00 0.00 42.92 41.71 1ael s ASP 59 CO 0.00 -0.01 -0.19 -0.69 0.70 0.00 0.00 175.17 174.97 1ael s VAL 60 N -1.63 1.76 -0.06 2.11 1.01 0.26 -4.96 120.40 118.89 1ael s VAL 60 Ca 0.10 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1ael s VAL 60 Cb -0.08 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1ael s VAL 60 CO 0.05 0.49 -0.24 0.54 0.00 0.00 0.00 175.10 175.94 1ael s VAL 61 N 0.63 1.96 -0.18 2.92 0.11 -1.26 -0.15 120.40 124.43 1ael s VAL 61 Ca -0.13 -1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 57.84 1ael s VAL 61 Cb -0.16 -1.67 0.08 0.00 -1.53 0.00 0.00 36.38 33.10 1ael s VAL 61 CO 0.04 0.54 0.40 0.72 -3.33 0.00 0.00 175.10 173.47 1ael s PHE 62 N -0.03 -0.68 -0.30 1.54 -0.71 -1.21 -4.99 117.98 111.60 1ael s PHE 62 Ca -0.07 1.37 -0.27 0.00 -1.04 0.00 0.00 56.93 56.92 1ael s PHE 62 Cb -0.14 0.25 -0.29 0.00 -1.21 0.00 0.00 43.02 41.63 1ael s PHE 62 CO 0.04 -0.41 1.72 0.39 -1.34 0.00 0.00 175.22 175.62 1ael n GLU 63 N 4.96 0.59 -2.48 1.99 1.02 -1.26 -2.71 120.64 122.75 1ael n GLU 63 Ca -0.14 -1.33 -0.13 0.00 -0.02 0.00 0.00 57.16 55.54 1ael n GLU 63 Cb 0.52 -2.67 0.01 0.00 -0.02 0.00 0.00 31.44 29.28 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 64 N 8.47 -2.03 -0.31 -4.62 4.77 -0.02 -4.39 117.00 118.87 1ael n LEU 64 Ca 0.48 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1ael n LEU 64 Cb 0.41 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1ael n LEU 64 CO 1.14 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1ael n GLY 65 N 0.48 0.71 3.84 -0.72 0.00 -1.10 -4.83 105.19 103.56 1ael n GLY 65 Ca -0.03 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.89 2.79 -0.28 1.61 -7.23 -1.26 -4.82 120.40 109.32 1ael s VAL 66 Ca 0.00 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1ael s VAL 66 Cb 0.00 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.93 1ael s VAL 66 CO 0.00 -0.05 0.04 1.51 -0.31 0.00 0.00 175.10 176.29 1ael s ASP 67 N -4.05 4.91 -0.06 4.85 -4.77 -1.22 -3.74 116.67 112.59 1ael s ASP 67 Ca 0.45 -0.79 -0.02 0.00 -3.30 0.00 0.00 52.55 48.89 1ael s ASP 67 Cb -0.03 -1.82 0.04 0.00 -1.09 0.00 0.00 42.92 40.03 1ael s ASP 67 CO 0.26 -0.18 0.10 -0.36 0.70 0.00 0.00 175.17 175.70 1ael s PHE 68 N 1.44 -0.05 -1.15 2.11 0.08 -1.26 -4.96 117.98 114.18 1ael s PHE 68 Ca 0.01 0.40 -0.21 0.00 0.12 0.00 0.00 56.93 57.26 1ael s PHE 68 Cb -0.17 -0.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.95 1ael s PHE 68 CO 0.00 -0.21 1.74 0.00 -0.10 0.00 0.00 175.22 176.66 1ael s ALA 69 N 2.03 2.59 -0.41 5.36 0.00 -1.26 -3.31 121.76 126.76 1ael s ALA 69 Ca 0.02 -2.39 -0.04 0.00 0.00 0.00 0.00 51.96 49.55 1ael s ALA 69 Cb -0.12 -4.61 0.10 0.00 0.00 0.00 0.00 23.12 18.49 1ael s ALA 69 CO -0.04 -4.04 0.22 -0.47 0.00 0.00 0.00 175.76 171.42 1ael s TYR 70 N 6.81 3.52 0.01 0.00 5.04 -1.26 -4.84 117.35 126.64 1ael s TYR 70 Ca 0.58 -2.22 -0.30 0.00 -2.44 0.00 0.00 57.07 52.68 1ael s TYR 70 Cb 0.00 -3.17 -0.08 0.00 0.35 0.00 0.00 41.96 39.06 1ael s TYR 70 CO 0.04 -0.95 2.00 -1.54 -1.34 0.00 0.00 175.55 173.76 1ael s SER 71 N 1.94 6.33 -0.66 4.32 1.04 -1.24 -3.15 113.70 122.27 1ael s SER 71 Ca 0.06 2.59 -0.26 0.00 0.48 0.00 0.00 55.95 58.83 1ael s SER 71 Cb -0.23 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.24 1ael s SER 71 CO -0.03 -1.16 2.45 -0.11 0.98 0.00 0.00 173.24 175.36 1ael n LEU 72 N 8.04 1.67 -2.82 2.42 -0.00 -0.60 -3.41 117.00 122.29 1ael n LEU 72 Ca 0.21 -0.61 -0.19 0.00 -0.00 0.00 0.00 56.01 55.41 1ael n LEU 72 Cb 0.41 -1.44 0.01 0.00 -0.00 0.00 0.00 43.42 42.41 1ael n LEU 72 CO 0.68 -1.66 -0.16 0.00 -0.00 0.00 0.00 177.39 176.25 1ael n ALA 73 N 15.09 -1.89 -0.50 1.96 0.00 -1.26 -1.98 120.51 131.94 1ael n ALA 73 Ca 0.46 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1ael n ALA 73 Cb 0.42 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.43 0.00 0.00 0.00 8.00 -1.22 -4.86 116.55 118.04 1ael n ASP 74 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1ael n ASP 74 Cb 0.40 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ael n GLY 75 N -2.00 -0.34 0.00 0.44 0.00 -0.84 -4.64 105.19 97.81 1ael n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.67 2.61 -1.04 -1.25 -4.77 114.28 108.16 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 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ael n THR 76 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ael n GLU 77 N -0.86 0.00 0.00 -2.82 4.07 -1.26 -4.26 120.64 115.51 1ael n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ael n GLU 77 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1ael n GLU 77 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ael n LEU 78 N 0.00 0.00 0.00 4.31 4.77 -1.19 -1.56 117.00 123.33 1ael n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ael n LEU 78 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ael n LEU 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1ael n THR 79 N 0.00 0.00 0.00 -5.08 -1.04 -1.21 -3.98 114.28 102.97 1ael n THR 79 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ael n THR 79 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ael n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ael n GLY 80 N 5.00 1.55 0.00 3.41 0.00 -1.25 -4.32 105.19 109.57 1ael n GLY 80 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1ael n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ael n THR 81 N 0.00 0.00 -2.30 2.61 -2.24 -1.24 -3.37 114.28 107.73 1ael n THR 81 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ael n THR 81 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 -0.05 0.00 4.78 7.02 -1.24 -2.87 117.44 125.08 1ael n TRP 82 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1ael n TRP 82 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1ael n TRP 82 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ael n THR 83 N 0.00 0.00 -2.39 -0.99 -2.24 -1.26 -2.71 114.28 104.69 1ael n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ael n THR 83 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ael n THR 83 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1ael n MET 84 N -1.73 0.79 -2.70 -0.78 0.00 -1.26 0.30 117.12 111.75 1ael n MET 84 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 1ael n MET 84 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 33.22 33.33 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 1.30 0.00 3.17 0.00 0.42 -4.74 120.64 120.79 1ael n GLU 85 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 57.16 55.32 1ael n GLU 85 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 31.44 31.36 1ael n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ael n GLY 86 N -0.93 2.16 1.46 8.31 0.00 -1.26 -4.08 105.19 110.86 1ael n GLY 86 Ca -0.07 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 4.11 4.29 -3.41 1.61 6.94 -1.26 -4.93 115.26 122.60 1ael n ASN 87 Ca 0.00 -2.20 0.01 0.00 -0.02 0.00 0.00 54.58 52.38 1ael n ASN 87 Cb 0.00 -0.53 -0.05 0.00 -2.36 0.00 0.00 39.78 36.84 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1ael s LYS 88 N -1.39 0.24 0.09 -3.83 -2.85 -1.17 -4.08 119.74 106.75 1ael s LYS 88 Ca 0.50 0.54 -0.01 0.00 -1.00 0.00 0.00 55.97 56.00 1ael s LYS 88 Cb 0.29 0.27 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1ael s LYS 88 CO 0.29 -0.07 0.05 -0.11 0.10 0.00 0.00 175.35 175.61 1ael n LEU 89 N 4.56 0.00 0.00 2.77 0.00 -1.26 0.16 117.00 123.23 1ael n LEU 89 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 56.01 55.85 1ael n LEU 89 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.90 1ael n LEU 89 CO -0.03 -1.54 0.00 0.52 0.00 0.00 0.00 177.39 176.34 1ael n VAL 90 N -3.08 0.00 0.00 1.96 0.31 0.89 -4.47 118.33 113.94 1ael n VAL 90 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1ael n VAL 90 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 -0.03 0.61 7.00 2.92 0.00 -0.59 -3.11 105.19 111.99 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 -3.05 1.61 4.76 -1.24 -3.66 118.16 116.58 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 -0.15 0.00 0.00 2.13 1.16 -1.14 -1.93 117.46 117.54 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 -1.22 -3.82 118.16 122.11 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 0.00 0.00 1.97 0.00 -1.26 -4.19 116.66 113.17 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 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 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 0.00 0.00 0.00 8.89 0.31 -1.26 -4.39 118.33 121.88 1ael n VAL 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 96 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.11 0.00 0.00 4.52 2.03 -1.26 -4.70 116.55 117.02 1ael n ASP 97 Ca 0.00 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1ael n ASP 97 Cb 0.00 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 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 -1.30 0.00 0.00 1.67 2.85 -1.26 -5.04 115.26 112.18 1ael n ASN 98 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ael n ASN 98 Cb 0.06 0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.18 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 -1.31 0.00 2.23 8.20 0.00 -1.26 -5.02 105.19 108.04 1ael n GLY 99 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.71 -2.81 1.61 5.02 -1.26 -4.90 118.16 115.11 1ael n LYS 100 Ca 0.00 -1.21 -0.11 0.00 -2.02 0.00 0.00 58.31 54.98 1ael n LYS 100 Cb 0.00 -0.77 0.05 0.00 -0.02 0.00 0.00 35.03 34.29 1ael n LYS 100 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ael n GLU 101 N -2.60 1.09 -0.37 1.97 1.02 -1.07 -3.42 120.64 117.25 1ael n GLU 101 Ca 0.10 -2.62 -0.01 0.00 -0.02 0.00 0.00 57.16 54.61 1ael n GLU 101 Cb 0.33 -0.98 0.05 0.00 -0.02 0.00 0.00 31.44 30.82 1ael n GLU 101 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ael h LEU 102 N 2.73 -1.37 -1.20 -4.62 4.07 -1.74 -1.00 115.31 112.18 1ael h LEU 102 Ca -0.10 0.31 -0.41 0.00 0.08 0.00 0.00 57.88 57.75 1ael h LEU 102 Cb 1.15 0.73 0.08 0.00 1.08 0.00 0.00 40.66 43.70 1ael h LEU 102 CO 0.27 -0.29 -0.75 -0.38 -1.08 0.00 0.00 178.44 176.21 1ael n ILE 103 N -5.48 -3.53 -1.39 1.22 2.08 -0.81 0.25 119.36 111.70 1ael n ILE 103 Ca 0.10 -0.18 -0.10 0.00 0.56 0.00 0.00 62.75 63.13 1ael n ILE 103 Cb 0.41 -3.81 -0.09 0.00 -0.75 0.00 0.00 39.64 35.40 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 -4.63 0.39 -1.00 -1.39 0.00 -1.18 -3.90 120.51 108.80 1ael n ALA 104 Ca -0.09 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1ael n ALA 104 Cb 0.59 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 7.32 0.00 0.00 0.00 0.31 0.56 -1.54 118.33 124.98 1ael n VAL 105 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1ael n VAL 105 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 0.23 -4.58 116.66 118.49 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 -1.67 -0.14 1.02 -1.14 0.90 120.64 119.61 1ael n GLU 107 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1ael n GLU 107 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 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 -6.80 -3.16 -3.67 3.06 -1.26 -3.03 119.36 104.50 1ael n ILE 108 Ca 0.00 1.25 0.03 0.00 -2.50 0.00 0.00 62.75 61.53 1ael n ILE 108 Cb 0.00 -4.42 -0.01 0.00 0.54 0.00 0.00 39.64 35.75 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 -0.25 -1.40 -0.08 9.51 0.15 -1.26 -4.70 113.70 115.67 1ael s SER 109 Ca -0.04 0.63 -0.05 0.00 0.70 0.00 0.00 55.95 57.19 1ael s SER 109 Cb 0.00 2.08 0.02 0.00 -1.71 0.00 0.00 66.02 66.42 1ael s SER 109 CO 0.10 -0.27 0.11 0.61 1.20 0.00 0.00 173.24 174.99 1ael n GLY 110 N 5.42 -3.58 2.76 9.45 0.00 -1.26 -4.59 105.19 113.40 1ael n GLY 110 Ca 0.01 0.81 -0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 1.98 -7.94 0.00 1.61 4.13 -1.26 -4.99 115.26 108.79 1ael n ASN 111 Ca -0.19 1.33 0.00 0.00 1.68 0.00 0.00 54.58 57.40 1ael n ASN 111 Cb 0.29 -5.06 0.00 0.00 -1.54 0.00 0.00 39.78 33.46 1ael n ASN 111 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1ael n GLU 112 N 0.72 -2.29 0.00 3.52 -0.00 -1.26 -4.95 120.64 116.37 1ael n GLU 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1ael n GLU 112 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.50 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 -4.43 -1.84 4.77 -1.25 -4.68 117.00 109.58 1ael n LEU 113 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1ael n LEU 113 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1ael n LEU 113 CO 0.00 0.00 1.13 2.30 -1.33 0.00 0.00 177.39 179.49 1ael n ILE 114 N 0.00 0.00 0.12 -0.08 -0.00 0.26 -4.51 119.36 115.15 1ael n ILE 114 Ca 0.00 -0.23 0.18 0.00 -0.00 0.00 0.00 62.75 62.70 1ael n ILE 114 Cb 0.00 -1.37 0.58 0.00 -0.00 0.00 0.00 39.64 38.85 1ael n ILE 114 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1ael h GLN 115 N 11.11 0.00 -5.52 6.28 4.20 -1.79 0.67 115.11 130.07 1ael h GLN 115 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ael h GLN 115 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1ael h GLN 115 CO 1.04 0.00 0.00 2.41 -0.67 0.00 0.00 178.83 181.61 1ael n THR 116 N -3.20 0.00 -3.20 -0.54 -1.04 -1.20 -0.32 114.28 104.78 1ael n THR 116 Ca 0.07 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.65 1ael n THR 116 Cb 0.83 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.27 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 -3.26 3.08 -0.88 -1.42 1.51 -1.16 -3.57 117.35 111.65 1ael s TYR 117 Ca 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1ael s TYR 117 Cb 0.00 -3.44 0.30 0.00 -0.11 0.00 0.00 41.96 38.71 1ael s TYR 117 CO 0.00 -0.97 1.29 2.41 -1.11 0.00 0.00 175.55 177.16 1ael n THR 118 N 5.56 4.40 0.11 -0.71 -1.04 0.71 -1.11 114.28 122.21 1ael n THR 118 Ca -0.07 -5.72 0.06 0.00 -2.04 0.00 0.00 64.05 56.29 1ael n THR 118 Cb 0.45 -1.89 0.35 0.00 -1.82 0.00 0.00 70.33 67.42 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 0.70 0.43 -1.54 -1.42 4.11 -0.38 -3.91 117.16 115.15 1ael n TYR 119 Ca 0.32 0.22 -0.01 0.00 -0.00 0.00 0.00 57.90 58.44 1ael n TYR 119 Cb 0.35 -0.79 -0.01 0.00 -0.00 0.00 0.00 39.34 38.89 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 -1.94 0.00 0.00 -3.48 4.07 -1.26 -2.61 120.64 115.42 1ael n GLU 120 Ca -0.01 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 1ael n GLU 120 Cb 0.12 0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 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 1.12 0.66 8.31 0.00 -1.25 -5.00 105.19 109.02 1ael n GLY 121 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.73 1.22 -0.77 1.61 0.31 -1.26 -5.13 118.33 112.59 1ael n VAL 122 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1ael n VAL 122 Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1ael n VAL 122 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ael n GLU 123 N -3.83 -2.14 -4.10 5.55 2.13 -1.11 -4.95 120.64 112.19 1ael n GLU 123 Ca -0.09 1.55 -0.33 0.00 0.66 0.00 0.00 57.16 58.96 1ael n GLU 123 Cb 0.29 -1.70 -0.16 0.00 0.27 0.00 0.00 31.44 30.14 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 -1.39 2.35 0.00 4.31 0.00 -0.26 -4.61 121.76 122.16 1ael s ALA 124 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1ael s ALA 124 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1ael s ALA 124 CO 0.00 -0.53 0.00 1.63 0.00 0.00 0.00 175.76 176.86 1ael n LYS 125 N 4.59 0.00 0.00 0.00 4.01 -0.96 -3.00 118.16 122.80 1ael n LYS 125 Ca -0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1ael n LYS 125 Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 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 5.12 -1.26 0.42 116.66 122.91 1ael n ARG 126 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.92 0.55 -0.00 -1.26 -4.79 119.36 112.94 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 0.07 0.00 -0.00 0.00 0.00 39.64 39.71 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 -0.54 -3.22 0.15 1.39 1.16 -1.23 0.20 117.46 115.36 1ael n PHE 128 Ca 0.00 0.18 0.03 0.00 -1.87 0.00 0.00 57.45 55.79 1ael n PHE 128 Cb 0.00 -1.52 0.04 0.00 -1.61 0.00 0.00 39.48 36.40 1ael n PHE 128 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 129 N 1.06 0.76 0.00 3.97 5.02 -1.26 -3.46 118.16 124.25 1ael n LYS 129 Ca 0.00 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 1ael n LYS 129 Cb 0.60 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ael n LYS 130 N 0.26 0.00 0.00 1.97 0.00 -1.26 -4.70 118.16 114.43 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.24 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49