#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 -4.84 117.46 115.08 1ael n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ael n PHE 2 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1ael n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ael n ASP 3 N 0.12 0.00 0.00 4.37 9.92 -0.91 -4.51 116.55 125.54 1ael n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ael n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ael n GLY 4 N 0.00 0.68 3.96 0.44 0.00 0.50 -4.91 105.19 105.86 1ael n GLY 4 Ca 0.00 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.99 4.45 -0.07 2.61 -4.23 -1.26 0.26 115.64 113.42 1ael s THR 5 Ca 0.00 -0.59 -0.32 0.00 -1.18 0.00 0.00 61.69 59.60 1ael s THR 5 Cb 0.00 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.35 1ael s THR 5 CO 0.00 -0.38 1.26 0.26 -0.54 0.00 0.00 174.62 175.22 1ael s TRP 6 N -2.39 -0.07 0.00 3.99 0.23 -1.26 -3.93 118.94 115.52 1ael s TRP 6 Ca 0.44 -0.02 0.00 0.00 -2.03 0.00 0.00 56.10 54.49 1ael s TRP 6 Cb -0.10 0.54 0.00 0.00 0.03 0.00 0.00 33.47 33.94 1ael s TRP 6 CO 0.36 -0.26 0.00 1.63 0.96 0.00 0.00 176.95 179.63 1ael n LYS 7 N -0.37 0.00 -2.91 4.98 5.02 -1.26 -1.59 118.16 122.03 1ael n LYS 7 Ca -0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1ael n LYS 7 Cb 0.61 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.66 1ael n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ael n VAL 8 N 0.00 -0.11 -0.33 -0.18 0.31 -1.26 -3.48 118.33 113.28 1ael n VAL 8 Ca 0.00 -2.61 0.25 0.00 -0.01 0.00 0.00 64.34 61.97 1ael n VAL 8 Cb 0.00 0.68 0.48 0.00 -0.91 0.00 0.00 33.84 34.09 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 3.25 0.25 -4.43 4.52 3.58 0.43 -3.32 116.42 120.70 1ael h ASP 9 Ca -0.04 0.23 -0.44 0.00 0.42 0.00 0.00 57.03 57.21 1ael h ASP 9 Cb 1.03 0.25 -0.14 0.00 1.72 0.00 0.00 39.33 42.20 1ael h ASP 9 CO 0.30 -0.29 -0.55 0.00 -2.88 0.00 0.00 179.24 175.81 1ael s ARG 10 N -5.68 1.65 -0.28 0.28 3.03 -0.90 -4.94 118.95 112.12 1ael s ARG 10 Ca -0.10 -1.95 -0.00 0.00 2.03 0.00 0.00 55.73 55.71 1ael s ARG 10 Cb 0.31 -0.22 0.14 0.00 -1.03 0.00 0.00 34.95 34.16 1ael s ARG 10 CO 0.78 -0.44 0.36 0.54 -1.13 0.00 0.00 175.30 175.41 1ael s ASN 11 N -3.42 0.83 -0.05 -2.89 6.03 -1.26 -4.23 114.94 109.96 1ael s ASN 11 Ca 0.34 -0.37 -0.07 0.00 -1.03 0.00 0.00 52.86 51.72 1ael s ASN 11 Cb 0.05 0.87 -0.04 0.00 -3.03 0.00 0.00 41.25 39.10 1ael s ASN 11 CO 0.17 -0.35 0.22 -1.61 -2.03 0.00 0.00 177.10 173.50 1ael s GLU 12 N 2.47 3.55 0.00 3.55 0.41 0.14 -4.50 118.70 124.32 1ael s GLU 12 Ca 0.10 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.60 1ael s GLU 12 Cb -0.14 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1ael s GLU 12 CO -0.27 0.72 0.00 0.09 -0.49 0.00 0.00 175.26 175.30 1ael n ASN 13 N 1.58 0.00 0.00 -0.19 5.03 -1.26 -2.57 115.26 117.85 1ael n ASN 13 Ca -0.16 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.29 1ael n ASN 13 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 1ael n ASN 13 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ael n TYR 14 N 0.00 0.00 0.03 3.10 4.19 -1.26 -0.08 117.16 123.14 1ael n TYR 14 Ca 0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 1ael n TYR 14 Cb 0.00 -0.32 -0.08 0.00 0.49 0.00 0.00 39.34 39.42 1ael n TYR 14 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1ael h GLU 15 N 0.00 -0.06 0.05 2.98 4.81 -1.86 -3.22 114.58 117.29 1ael h GLU 15 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1ael h GLU 15 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1ael h GLU 15 CO 0.00 0.20 -1.06 -0.22 -0.73 0.00 0.00 179.01 177.20 1ael h LYS 16 N -0.31 0.19 -1.04 1.92 3.64 -0.90 -3.28 116.57 116.79 1ael h LYS 16 Ca -0.01 -0.27 0.27 0.00 -1.27 0.00 0.00 60.65 59.37 1ael h LYS 16 Cb 0.28 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 1ael h LYS 16 CO 0.01 1.08 0.69 0.35 -2.27 0.00 0.00 179.45 179.31 1ael h PHE 17 N 0.07 0.49 0.00 1.91 3.57 -1.47 -0.95 116.94 120.56 1ael h PHE 17 Ca -0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ael h PHE 17 Cb 1.76 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1ael h PHE 17 CO 0.04 0.05 -0.00 0.52 -2.23 0.00 0.00 178.31 176.69 1ael h MET 18 N 0.30 -0.00 -0.91 1.11 2.86 -1.67 -3.36 114.93 113.26 1ael h MET 18 Ca 0.56 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 58.43 1ael h MET 18 Cb 1.61 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 33.11 1ael h MET 18 CO -0.21 0.32 0.02 1.49 1.06 0.00 0.00 176.91 179.59 1ael h GLU 19 N -1.00 0.05 0.00 1.72 4.57 -1.33 -1.57 114.58 117.02 1ael h GLU 19 Ca -0.00 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 1ael h GLU 19 Cb 0.33 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1ael h GLU 19 CO 0.00 0.04 -0.44 0.87 -1.18 0.00 0.00 179.01 178.29 1ael h LYS 20 N 0.06 0.00 -0.43 1.92 1.57 -1.39 -2.69 116.57 115.62 1ael h LYS 20 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1ael h LYS 20 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1ael h LYS 20 CO -0.83 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 178.50 1ael n MET 21 N -3.88 1.41 0.00 3.15 0.00 -0.60 -4.76 117.12 112.43 1ael n MET 21 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 57.70 57.23 1ael n MET 21 Cb 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.41 1ael n MET 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ael n GLY 22 N 0.47 1.97 3.53 3.17 0.00 -1.15 -4.84 105.19 108.33 1ael n GLY 22 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.55 0.87 -0.61 1.09 -1.02 -4.75 121.20 119.32 1ael s ILE 23 Ca 0.00 0.33 -0.12 0.00 -1.10 0.00 0.00 60.65 59.76 1ael s ILE 23 Cb 0.00 -4.42 0.09 0.00 -1.06 0.00 0.00 42.46 37.07 1ael s ILE 23 CO 0.00 -0.89 1.00 -3.20 -0.10 0.00 0.00 174.94 171.75 1ael n ASN 24 N 7.01 0.08 0.32 3.58 2.85 -1.26 -4.39 115.26 123.45 1ael n ASN 24 Ca 0.02 0.48 0.21 0.00 -0.11 0.00 0.00 54.58 55.19 1ael n ASN 24 Cb 0.48 -1.42 1.08 0.00 1.24 0.00 0.00 39.78 41.16 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 -1.34 0.00 -0.15 3.44 -1.51 -1.97 -3.15 116.25 111.57 1ael h VAL 25 Ca -0.45 -0.14 0.04 0.00 -1.23 0.00 0.00 66.70 64.93 1ael h VAL 25 Cb 1.29 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1ael h VAL 25 CO 0.42 0.00 0.26 0.58 -1.23 0.00 0.00 177.57 177.60 1ael h VAL 26 N 0.00 0.24 0.00 7.19 2.07 -2.03 1.18 116.25 124.90 1ael h VAL 26 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1ael h VAL 26 Cb 0.14 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1ael h VAL 26 CO 0.00 0.00 -0.79 0.11 0.02 0.00 0.00 177.57 176.91 1ael h LYS 27 N 0.00 0.00 -0.08 1.57 1.79 -1.92 -3.25 116.57 114.68 1ael h LYS 27 Ca 0.07 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1ael h LYS 27 Cb 0.60 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1ael h LYS 27 CO -0.00 0.78 0.31 -0.09 -1.08 0.00 0.00 179.45 179.37 1ael h ARG 28 N 0.00 0.00 -1.36 3.15 2.43 0.12 0.29 114.38 119.02 1ael h ARG 28 Ca -0.01 0.00 0.40 0.00 -0.81 0.00 0.00 59.98 59.56 1ael h ARG 28 Cb 1.60 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.08 1ael h ARG 28 CO 0.10 0.00 0.95 0.87 -1.51 0.00 0.00 179.97 180.38 1ael h LYS 29 N 0.00 0.07 0.00 0.20 6.56 -1.61 -3.26 116.57 118.54 1ael h LYS 29 Ca 0.04 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1ael h LYS 29 Cb 0.66 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1ael h LYS 29 CO -0.00 0.05 -0.21 1.28 -2.06 0.00 0.00 179.45 178.51 1ael n LEU 30 N -4.28 0.10 0.00 2.94 4.77 -0.60 -5.16 117.00 114.77 1ael n LEU 30 Ca 0.31 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1ael n LEU 30 Cb 1.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.47 1ael n LEU 30 CO 0.36 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1ael n GLY 31 N 1.83 -2.48 3.71 -0.72 0.00 0.92 -4.86 105.19 103.59 1ael n GLY 31 Ca 0.00 -1.65 -0.59 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.26 -0.39 -2.72 4.61 0.00 -1.26 -4.89 120.51 115.59 1ael n ALA 32 Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.81 1ael n ALA 32 Cb 0.00 -2.18 0.03 0.00 0.00 0.00 0.00 19.45 17.30 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 5.08 -2.54 0.04 0.00 -0.00 -1.26 -4.83 115.22 111.71 1ael n HIS 33 Ca 0.27 -1.12 -0.01 0.00 -0.00 0.00 0.00 57.72 56.86 1ael n HIS 33 Cb 0.11 1.34 -0.01 0.00 -0.00 0.00 0.00 29.99 31.43 1ael n HIS 33 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1ael h ASP 34 N 4.53 -0.08 -5.66 0.26 5.19 -1.90 -3.43 116.42 115.32 1ael h ASP 34 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1ael h ASP 34 Cb 1.13 0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.68 1ael h ASP 34 CO -0.01 -0.04 -0.32 -3.20 -3.12 0.00 0.00 179.24 172.54 1ael n ASN 35 N -2.31 -7.06 0.00 6.45 4.05 -1.25 -2.33 115.26 112.81 1ael n ASN 35 Ca -0.01 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 54.68 1ael n ASN 35 Cb 0.04 -4.58 0.00 0.00 1.23 0.00 0.00 39.78 36.46 1ael n ASN 35 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1ael n LEU 36 N -2.19 0.00 -3.05 1.20 7.94 -1.26 -4.34 117.00 115.30 1ael n LEU 36 Ca -0.07 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.86 1ael n LEU 36 Cb 0.55 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.50 1ael n LEU 36 CO 0.56 0.00 0.30 -0.75 -1.11 0.00 0.00 177.39 176.39 1ael s LYS 37 N 1.51 0.43 0.34 1.96 2.20 -1.25 -4.53 119.74 120.38 1ael s LYS 37 Ca 0.00 0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 1ael s LYS 37 Cb 0.00 0.09 0.63 0.00 -1.51 0.00 0.00 37.83 37.04 1ael s LYS 37 CO 0.00 -0.67 1.97 -0.07 -0.36 0.00 0.00 175.35 176.22 1ael h LEU 38 N 6.73 0.77 -0.59 5.43 3.38 -1.50 -1.96 115.31 127.57 1ael h LEU 38 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ael h LEU 38 Cb 1.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ael h LEU 38 CO 0.01 0.53 -0.55 0.41 0.09 0.00 0.00 178.44 178.93 1ael n THR 39 N -4.46 -3.16 -3.61 0.22 -1.04 -0.88 0.92 114.28 102.27 1ael n THR 39 Ca 0.10 1.45 -0.27 0.00 -2.04 0.00 0.00 64.05 63.29 1ael n THR 39 Cb 0.13 -2.00 -0.16 0.00 -1.82 0.00 0.00 70.33 66.48 1ael n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ael s ILE 40 N -3.31 0.02 -0.45 12.58 1.01 0.74 -1.92 121.20 129.88 1ael s ILE 40 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1ael s ILE 40 Cb 0.00 -0.75 0.12 0.00 0.01 0.00 0.00 42.46 41.83 1ael s ILE 40 CO 0.00 -0.38 0.21 -0.89 0.00 0.00 0.00 174.94 173.87 1ael s THR 41 N 2.08 2.91 0.62 2.92 2.01 -0.91 0.19 115.64 125.47 1ael s THR 41 Ca 0.03 -2.54 -0.17 0.00 0.31 0.00 0.00 61.69 59.32 1ael s THR 41 Cb -0.16 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 1ael s THR 41 CO -0.16 -0.72 0.65 1.67 -0.69 0.00 0.00 174.62 175.38 1ael n GLN 42 N 4.02 0.54 -2.91 4.92 0.00 -1.26 -1.80 117.38 120.88 1ael n GLN 42 Ca 0.03 0.22 -0.08 0.00 -0.00 0.00 0.00 57.00 57.17 1ael n GLN 42 Cb 0.39 -1.87 -0.03 0.00 0.00 0.00 0.00 30.24 28.73 1ael n GLN 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ael n GLU 43 N -0.55 0.25 -1.77 3.69 -0.58 0.57 -4.74 120.64 117.50 1ael n GLU 43 Ca 0.12 -1.47 -0.34 0.00 -0.42 0.00 0.00 57.16 55.05 1ael n GLU 43 Cb 0.48 1.28 -0.04 0.00 -0.57 0.00 0.00 31.44 32.60 1ael n GLU 43 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ael s GLY 44 N -2.07 -0.20 0.00 0.62 0.00 -1.26 -3.85 107.32 100.56 1ael s GLY 44 Ca 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1ael s GLY 44 CO 0.12 3.84 0.00 0.70 0.00 0.00 0.00 173.10 177.76 1ael n ASN 45 N 14.90 0.00 -4.38 1.64 4.13 -1.26 -4.85 115.26 125.44 1ael n ASN 45 Ca 0.32 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.30 1ael n ASN 45 Cb 0.52 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 39.03 1ael n ASN 45 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ael s LYS 46 N 0.00 -1.36 -0.12 3.52 2.20 -1.25 -4.20 119.74 118.53 1ael s LYS 46 Ca 0.00 0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 56.34 1ael s LYS 46 Cb 0.00 -1.51 0.05 0.00 -1.51 0.00 0.00 37.83 34.86 1ael s LYS 46 CO 0.00 -4.00 0.07 -0.06 -0.36 0.00 0.00 175.35 171.00 1ael s PHE 47 N -2.39 0.26 -1.08 4.03 0.40 -0.81 -0.32 117.98 118.08 1ael s PHE 47 Ca 0.69 -0.17 -0.24 0.00 -0.60 0.00 0.00 56.93 56.61 1ael s PHE 47 Cb -0.25 -0.66 -0.10 0.00 0.51 0.00 0.00 43.02 42.52 1ael s PHE 47 CO 0.65 -0.41 2.00 0.95 0.70 0.00 0.00 175.22 179.11 1ael s THR 48 N 2.11 3.40 0.06 0.64 -4.23 -0.75 -3.73 115.64 113.15 1ael s THR 48 Ca 0.03 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1ael s THR 48 Cb -0.15 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 1ael s THR 48 CO -0.07 -0.76 0.18 -0.69 -0.54 0.00 0.00 174.62 172.74 1ael s VAL 49 N 12.05 5.18 0.00 2.29 1.01 -0.89 -2.14 120.40 137.90 1ael s VAL 49 Ca 0.73 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1ael s VAL 49 Cb -0.04 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1ael s VAL 49 CO 0.10 0.14 0.00 1.17 0.00 0.00 0.00 175.10 176.52 1ael n LYS 50 N 0.36 0.70 0.00 2.72 4.81 0.26 0.94 118.16 127.95 1ael n LYS 50 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1ael n LYS 50 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 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 0.00 1.64 2.13 -0.53 -1.49 120.64 122.39 1ael n GLU 51 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1ael n GLU 51 Cb 0.00 0.00 0.39 0.00 0.27 0.00 0.00 31.44 32.10 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 0.54 0.00 4.31 7.64 -1.09 -3.41 113.62 121.61 1ael n SER 52 Ca 0.00 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1ael n SER 52 Cb 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1ael n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ael n SER 53 N -1.23 0.00 -0.13 6.43 3.41 -1.26 -2.84 113.62 118.00 1ael n SER 53 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1ael n SER 53 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1ael n SER 53 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ael n ASN 54 N 0.00 0.00 0.00 4.04 5.15 -0.98 -0.91 115.26 122.56 1ael n ASN 54 Ca 0.00 -0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ael n ASN 54 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ael n ASN 54 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ael n PHE 55 N 0.07 -0.03 -2.35 1.20 3.72 -1.24 -4.95 117.46 113.87 1ael n PHE 55 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 1ael n PHE 55 Cb 0.00 0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 1ael n PHE 55 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ael n ARG 56 N -0.78 3.48 -1.26 -1.08 5.12 -0.09 -4.99 116.66 117.06 1ael n ARG 56 Ca 0.00 -4.41 -0.10 0.00 -1.93 0.00 0.00 57.85 51.41 1ael n ARG 56 Cb 0.00 -2.26 -0.10 0.00 -1.16 0.00 0.00 32.46 28.95 1ael n ARG 56 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ael n ASN 57 N -0.54 -1.31 -2.55 0.55 2.04 -1.13 -4.58 115.26 107.74 1ael n ASN 57 Ca 0.40 -1.20 -0.07 0.00 -0.44 0.00 0.00 54.58 53.28 1ael n ASN 57 Cb 0.74 -0.73 0.02 0.00 -2.53 0.00 0.00 39.78 37.28 1ael n ASN 57 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ael n ILE 58 N 5.50 0.00 -4.40 1.53 3.06 -1.22 -4.98 119.36 118.85 1ael n ILE 58 Ca 0.31 -0.76 -0.27 0.00 -2.50 0.00 0.00 62.75 59.53 1ael n ILE 58 Cb 0.36 0.79 -0.11 0.00 0.54 0.00 0.00 39.64 41.22 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 -2.77 3.60 -0.20 9.51 1.47 -1.26 -2.72 116.67 124.30 1ael s ASP 59 Ca 0.14 -0.83 -0.02 0.00 1.18 0.00 0.00 52.55 53.02 1ael s ASP 59 Cb -0.04 -0.34 0.06 0.00 -0.34 0.00 0.00 42.92 42.26 1ael s ASP 59 CO 0.09 0.11 0.00 -0.69 0.68 0.00 0.00 175.17 175.36 1ael s VAL 60 N -1.76 0.85 -0.13 2.11 1.01 0.27 -4.89 120.40 117.86 1ael s VAL 60 Ca 0.22 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1ael s VAL 60 Cb -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1ael s VAL 60 CO 0.11 -0.15 -0.08 0.54 0.00 0.00 0.00 175.10 175.52 1ael s VAL 61 N 1.71 3.55 -0.17 2.92 0.11 -1.25 -2.09 120.40 125.18 1ael s VAL 61 Ca -0.02 -0.49 -0.13 0.00 -2.93 0.00 0.00 61.98 58.41 1ael s VAL 61 Cb -0.17 -2.52 0.05 0.00 -1.53 0.00 0.00 36.38 32.21 1ael s VAL 61 CO -0.07 0.52 0.44 0.72 -3.33 0.00 0.00 175.10 173.38 1ael s PHE 62 N 0.14 -0.54 -0.92 1.54 -0.71 -1.24 -4.99 117.98 111.26 1ael s PHE 62 Ca -0.04 1.25 -0.06 0.00 -1.04 0.00 0.00 56.93 57.04 1ael s PHE 62 Cb -0.14 0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.82 1ael s PHE 62 CO 0.04 -0.28 2.22 -1.91 -1.34 0.00 0.00 175.22 173.95 1ael n GLU 63 N 3.39 2.19 -3.09 1.99 2.13 -1.26 -1.92 120.64 124.06 1ael n GLU 63 Ca -0.17 -1.47 -0.00 0.00 0.66 0.00 0.00 57.16 56.18 1ael n GLU 63 Cb 0.56 -2.44 -0.00 0.00 0.27 0.00 0.00 31.44 29.84 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ael n LEU 64 N 4.02 -4.48 -1.50 4.31 4.77 -1.26 -4.62 117.00 118.23 1ael n LEU 64 Ca 0.47 0.64 -0.00 0.00 -0.03 0.00 0.00 56.01 57.09 1ael n LEU 64 Cb 0.17 -1.93 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 1ael n LEU 64 CO 0.68 -1.84 0.00 0.61 -1.33 0.00 0.00 177.39 175.51 1ael n GLY 65 N 1.23 -0.58 2.52 -0.72 0.00 0.59 -4.80 105.19 103.44 1ael n GLY 65 Ca -0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1ael n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ael n VAL 66 N -0.64 2.19 -2.87 1.61 0.24 -1.26 -4.92 118.33 112.67 1ael n VAL 66 Ca 0.00 -4.70 0.00 0.00 -2.04 0.00 0.00 64.34 57.60 1ael n VAL 66 Cb 0.14 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 1ael n VAL 66 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ael n ASP 67 N -0.41 -6.01 -0.04 -1.34 9.92 -1.26 -4.97 116.55 112.44 1ael n ASP 67 Ca 0.34 0.44 -0.00 0.00 -0.53 0.00 0.00 54.79 55.04 1ael n ASP 67 Cb 0.67 -1.40 -0.00 0.00 -0.64 0.00 0.00 41.12 39.76 1ael n ASP 67 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1ael h PHE 68 N 3.54 0.00 -4.06 1.24 -1.00 -1.36 -3.47 116.94 111.84 1ael h PHE 68 Ca 0.00 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.40 1ael h PHE 68 Cb 0.75 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.31 1ael h PHE 68 CO 0.00 0.00 -0.53 0.00 -1.61 0.00 0.00 178.31 176.17 1ael n ALA 69 N -2.65 -0.85 -3.79 2.45 0.00 0.33 -4.79 120.51 111.21 1ael n ALA 69 Ca -0.00 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 1ael n ALA 69 Cb 0.01 -2.84 -0.14 0.00 0.00 0.00 0.00 19.45 16.48 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 -3.01 3.20 0.51 0.00 5.04 -1.24 -4.41 117.35 117.43 1ael s TYR 70 Ca 0.17 -1.90 -0.18 0.00 -2.44 0.00 0.00 57.07 52.73 1ael s TYR 70 Cb -0.08 -2.04 -0.14 0.00 0.35 0.00 0.00 41.96 40.04 1ael s TYR 70 CO 0.21 -0.80 -0.05 -1.13 -1.34 0.00 0.00 175.55 172.44 1ael n SER 71 N 4.59 -3.37 -4.45 4.32 3.41 -1.26 -3.79 113.62 113.07 1ael n SER 71 Ca -0.14 0.67 -0.43 0.00 -0.26 0.00 0.00 58.87 58.70 1ael n SER 71 Cb 0.44 -0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 63.47 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 4.55 4.45 -0.53 1.04 1.98 -1.24 -4.50 118.68 124.43 1ael s LEU 72 Ca 0.58 -1.00 -0.15 0.00 -2.89 0.00 0.00 54.13 50.68 1ael s LEU 72 Cb -0.50 -2.42 0.02 0.00 0.66 0.00 0.00 46.19 43.95 1ael s LEU 72 CO 0.65 -1.41 0.28 0.00 -1.89 0.00 0.00 176.35 173.98 1ael n ALA 73 N 7.59 -1.68 -0.47 5.97 0.00 -1.26 0.20 120.51 130.86 1ael n ALA 73 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ael n ALA 73 Cb 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1ael n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ael n ASP 74 N -0.40 -0.98 -2.19 0.00 2.03 -1.26 -5.02 116.55 108.72 1ael n ASP 74 Ca -0.05 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.97 1ael n ASP 74 Cb 0.24 -0.19 0.11 0.00 -0.72 0.00 0.00 41.12 40.56 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ael n GLY 75 N -2.07 5.54 5.00 0.27 0.00 0.13 -4.61 105.19 109.45 1ael n GLY 75 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.97 0.00 -3.61 2.61 5.66 -1.26 -4.38 114.28 112.33 1ael n THR 76 Ca 0.58 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.58 1ael n THR 76 Cb 0.96 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.75 1ael n THR 76 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ael n GLU 77 N 0.00 0.15 0.00 1.09 4.71 -1.26 -3.97 120.64 121.35 1ael n GLU 77 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 57.16 56.80 1ael n GLU 77 Cb 0.00 0.49 0.00 0.00 -1.01 0.00 0.00 31.44 30.92 1ael n GLU 77 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ael n LEU 78 N 0.00 0.00 0.24 -4.62 0.00 -0.58 -3.72 117.00 108.32 1ael n LEU 78 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.16 1ael n LEU 78 Cb 0.15 0.00 0.84 0.00 0.00 0.00 0.00 43.42 44.41 1ael n LEU 78 CO 0.05 0.00 1.14 0.00 0.00 0.00 0.00 177.39 178.58 1ael h THR 79 N 0.00 0.54 -2.59 1.96 1.03 -1.35 0.94 112.91 113.45 1ael h THR 79 Ca 0.00 0.00 -0.57 0.00 -0.01 0.00 0.00 66.41 65.83 1ael h THR 79 Cb 0.00 0.91 0.20 0.00 -1.07 0.00 0.00 68.15 68.18 1ael h THR 79 CO 0.00 0.00 -0.93 0.61 -0.01 0.00 0.00 175.52 175.19 1ael n GLY 80 N -1.39 -2.68 2.95 2.99 0.00 -1.18 -2.75 105.19 103.13 1ael n GLY 80 Ca -0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1ael n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ael s THR 81 N -1.96 1.95 0.43 2.61 -4.23 -1.26 -2.84 115.64 110.34 1ael s THR 81 Ca 0.58 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.71 1ael s THR 81 Cb -0.36 -2.45 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1ael s THR 81 CO 0.65 -0.62 1.34 -1.66 -0.54 0.00 0.00 174.62 173.79 1ael s TRP 82 N 1.07 2.68 -0.31 3.99 1.48 -1.24 -4.30 118.94 122.30 1ael s TRP 82 Ca 0.11 1.37 0.04 0.00 -1.06 0.00 0.00 56.10 56.55 1ael s TRP 82 Cb -0.19 -3.74 0.17 0.00 -1.16 0.00 0.00 33.47 28.56 1ael s TRP 82 CO -0.12 -2.37 0.48 0.95 -4.06 0.00 0.00 176.95 171.83 1ael s THR 83 N -1.26 -0.75 0.17 0.66 -4.23 0.86 0.22 115.64 111.30 1ael s THR 83 Ca 0.59 -0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 1ael s THR 83 Cb -0.39 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 72.58 1ael s THR 83 CO 0.50 -0.20 0.39 -0.04 -0.54 0.00 0.00 174.62 174.73 1ael s MET 84 N 2.48 1.21 0.28 3.99 -1.94 -1.26 -4.13 119.30 119.94 1ael s MET 84 Ca 0.11 -0.97 -0.07 0.00 -1.71 0.00 0.00 55.69 53.05 1ael s MET 84 Cb -0.11 0.45 -0.05 0.00 2.01 0.00 0.00 34.83 37.12 1ael s MET 84 CO -0.25 -0.48 -0.41 0.39 -0.01 0.00 0.00 175.02 174.26 1ael n GLU 85 N -0.26 0.00 0.10 2.03 1.02 2.15 -4.49 120.64 121.20 1ael n GLU 85 Ca -0.10 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 1ael n GLU 85 Cb 0.63 -0.28 -0.14 0.00 -0.02 0.00 0.00 31.44 31.62 1ael n GLU 85 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ael h GLY 86 N -0.28 0.33 -2.70 0.62 0.00 -1.98 -3.11 103.07 95.95 1ael h GLY 86 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1ael h GLY 86 CO 0.06 0.74 0.00 1.16 0.00 0.00 0.00 176.54 178.50 1ael n ASN 87 N -3.53 3.94 -3.59 0.19 0.23 -1.26 -4.15 115.26 107.09 1ael n ASN 87 Ca -0.10 -2.03 -0.04 0.00 -0.53 0.00 0.00 54.58 51.87 1ael n ASN 87 Cb 1.03 -0.49 -0.02 0.00 -2.08 0.00 0.00 39.78 38.22 1ael n ASN 87 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1ael s LYS 88 N -1.08 0.38 0.40 -3.83 -0.14 -0.63 -4.31 119.74 110.53 1ael s LYS 88 Ca 0.49 -0.15 0.02 0.00 -1.36 0.00 0.00 55.97 54.96 1ael s LYS 88 Cb 0.26 0.17 0.02 0.00 -1.68 0.00 0.00 37.83 36.59 1ael s LYS 88 CO 0.32 -0.17 0.14 -0.11 -0.76 0.00 0.00 175.35 174.78 1ael n LEU 89 N -0.15 0.00 -3.06 3.17 7.94 -1.26 0.54 117.00 124.19 1ael n LEU 89 Ca -0.01 -2.28 0.04 0.00 -1.11 0.00 0.00 56.01 52.65 1ael n LEU 89 Cb 0.59 0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.67 1ael n LEU 89 CO 0.09 -0.42 0.36 -0.69 -1.11 0.00 0.00 177.39 175.63 1ael s VAL 90 N -2.22 -0.50 0.67 1.96 1.01 -1.26 -4.34 120.40 115.72 1ael s VAL 90 Ca 0.11 0.00 0.31 0.00 0.00 0.00 0.00 61.98 62.40 1ael s VAL 90 Cb -0.01 -0.29 0.31 0.00 0.00 0.00 0.00 36.38 36.39 1ael s VAL 90 CO 0.07 0.00 1.95 1.23 0.00 0.00 0.00 175.10 178.35 1ael h GLY 91 N 6.87 0.00 0.00 4.51 0.00 0.73 0.24 103.07 115.42 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 -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 1ael n LYS 92 N -2.92 0.00 -3.37 4.80 4.76 -1.18 -3.68 118.16 116.57 1ael n LYS 92 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1ael n LYS 92 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 1ael n LYS 92 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1ael n PHE 93 N 0.00 0.00 0.00 2.13 1.16 -1.26 -0.41 117.46 119.08 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 -1.06 -3.08 118.16 123.00 1ael n LYS 94 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ael n LYS 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ael n LYS 94 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ael n ARG 95 N 0.00 0.00 0.00 1.97 3.00 -1.25 -4.01 116.66 116.37 1ael n ARG 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 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 -0.14 0.00 0.27 1.55 0.31 -1.26 -1.35 118.33 117.72 1ael n VAL 96 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1ael n VAL 96 Cb 0.00 0.00 0.93 0.00 -0.91 0.00 0.00 33.84 33.86 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 1.97 0.00 0.00 4.52 3.58 -1.91 -3.41 116.42 121.17 1ael h ASP 97 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ael h ASP 97 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ael h ASP 97 CO 0.00 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.16 1ael n ASN 98 N -3.57 0.00 0.00 2.28 5.15 -1.26 -5.09 115.26 112.77 1ael n ASN 98 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1ael n ASN 98 Cb 0.21 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ael n GLY 99 N -1.28 0.24 0.11 8.20 0.00 -1.26 -4.89 105.19 106.32 1ael n GLY 99 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.99 -2.99 1.61 4.01 -1.26 -4.62 118.16 113.92 1ael n LYS 100 Ca 0.00 -0.06 -0.14 0.00 -0.51 0.00 0.00 58.31 57.60 1ael n LYS 100 Cb 0.00 -0.05 0.01 0.00 -0.51 0.00 0.00 35.03 34.47 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 -1.57 1.02 -0.39 1.97 4.71 -1.01 -2.58 120.64 122.80 1ael n GLU 101 Ca 0.00 -3.10 -0.09 0.00 -0.01 0.00 0.00 57.16 53.97 1ael n GLU 101 Cb 0.02 -1.44 -0.08 0.00 -1.01 0.00 0.00 31.44 28.93 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 0.17 -0.95 0.00 -4.62 4.77 -1.25 -2.40 117.00 112.72 1ael n LEU 102 Ca 0.18 1.66 0.00 0.00 -0.03 0.00 0.00 56.01 57.82 1ael n LEU 102 Cb 0.71 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ael n LEU 102 CO 0.19 -1.37 0.00 -0.38 -1.33 0.00 0.00 177.39 174.50 1ael n ILE 103 N -5.19 0.00 0.00 -0.08 2.08 0.46 0.28 119.36 116.90 1ael n ILE 103 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1ael n ILE 103 Cb 0.26 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 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 0.90 0.00 -1.00 -1.39 0.00 -1.26 0.25 120.51 118.01 1ael n ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ael n ALA 104 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ael n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ael n VAL 105 N 0.00 0.00 0.00 0.00 0.31 0.31 0.08 118.33 119.03 1ael n VAL 105 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 105 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ael n VAL 105 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ael n ARG 106 N 0.00 0.00 0.00 5.55 0.63 0.49 -4.47 116.66 118.86 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 -0.55 -0.14 1.02 -1.18 0.48 120.64 120.27 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 -2.44 0.00 -3.67 3.06 -1.26 -1.60 119.36 113.45 1ael n ILE 108 Ca 0.00 0.80 0.00 0.00 -2.50 0.00 0.00 62.75 61.05 1ael n ILE 108 Cb 0.00 -1.47 0.00 0.00 0.54 0.00 0.00 39.64 38.71 1ael n ILE 108 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1ael n SER 109 N -0.51 0.00 -2.90 9.51 2.88 -1.26 -4.66 113.62 116.68 1ael n SER 109 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ael n SER 109 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ael n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ael n GLY 110 N 0.00 -2.69 3.88 0.46 0.00 -1.26 -3.65 105.19 101.92 1ael n GLY 110 Ca 0.00 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 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 0.95 -2.87 -3.39 1.61 4.13 -1.26 -4.96 115.26 109.47 1ael n ASN 111 Ca -0.01 -0.84 -0.21 0.00 1.68 0.00 0.00 54.58 55.21 1ael n ASN 111 Cb 0.20 -3.74 -0.06 0.00 -1.54 0.00 0.00 39.78 34.64 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ael n GLU 112 N -4.49 0.56 0.00 3.52 4.71 -1.24 -5.01 120.64 118.69 1ael n GLU 112 Ca -0.12 -2.96 0.00 0.00 -0.01 0.00 0.00 57.16 54.08 1ael n GLU 112 Cb 0.59 1.81 0.00 0.00 -1.01 0.00 0.00 31.44 32.83 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 -4.52 -4.62 4.77 -1.23 -4.26 117.00 107.14 1ael n LEU 113 Ca -0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 1ael n LEU 113 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1ael n LEU 113 CO 0.28 0.00 1.43 2.30 -1.33 0.00 0.00 177.39 180.07 1ael n ILE 114 N 0.00 0.00 0.15 -0.08 -0.00 0.18 -4.46 119.36 115.14 1ael n ILE 114 Ca 0.00 -0.46 0.17 0.00 -0.00 0.00 0.00 62.75 62.46 1ael n ILE 114 Cb 0.00 -1.37 0.57 0.00 -0.00 0.00 0.00 39.64 38.84 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 11.99 0.00 -3.51 6.28 1.08 -1.79 1.43 115.11 130.59 1ael h GLN 115 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ael h GLN 115 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1ael h GLN 115 CO 1.17 0.00 0.00 2.41 -0.95 0.00 0.00 178.83 181.46 1ael n THR 116 N -3.14 0.00 -3.45 -0.54 -1.04 -1.18 0.11 114.28 105.05 1ael n THR 116 Ca 0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.64 1ael n THR 116 Cb 0.80 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.23 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 -1.56 3.26 -0.98 -1.42 1.51 -1.08 -2.35 117.35 114.73 1ael s TYR 117 Ca 0.00 -0.95 -0.03 0.00 -1.01 0.00 0.00 57.07 55.08 1ael s TYR 117 Cb 0.00 -2.97 0.28 0.00 -0.11 0.00 0.00 41.96 39.16 1ael s TYR 117 CO 0.00 -0.75 1.16 2.41 -1.11 0.00 0.00 175.55 177.26 1ael n THR 118 N 5.14 4.25 0.30 -0.71 -1.04 0.80 -0.82 114.28 122.21 1ael n THR 118 Ca -0.12 -5.56 0.18 0.00 -2.04 0.00 0.00 64.05 56.51 1ael n THR 118 Cb 0.44 -2.23 0.97 0.00 -1.82 0.00 0.00 70.33 67.69 1ael n THR 118 CO 0.00 0.00 0.00 0.10 -0.64 0.00 0.00 175.07 174.53 1ael h TYR 119 N 5.54 0.00 0.00 -1.42 -0.00 -1.37 -3.38 116.97 116.33 1ael h TYR 119 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.90 1ael h TYR 119 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.42 1ael h TYR 119 CO 0.86 0.03 -0.04 -1.91 -0.00 0.00 0.00 178.16 177.09 1ael n GLU 120 N -3.33 0.00 0.00 0.10 4.07 -1.26 -2.41 120.64 117.80 1ael n GLU 120 Ca -0.02 -0.15 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1ael n GLU 120 Cb 0.15 0.22 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 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 1.32 2.35 8.31 0.00 -1.26 -5.01 105.19 110.90 1ael n GLY 121 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.11 2.09 -1.46 1.61 0.31 -1.26 -5.09 118.33 113.43 1ael n VAL 122 Ca 0.00 -4.00 -0.57 0.00 -0.01 0.00 0.00 64.34 59.76 1ael n VAL 122 Cb 0.00 -0.49 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 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 -0.58 0.00 -4.10 5.55 2.13 -1.18 -4.68 120.64 117.78 1ael n GLU 123 Ca 0.32 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.81 1ael n GLU 123 Cb 0.85 -1.45 -0.16 0.00 0.27 0.00 0.00 31.44 30.96 1ael n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ael s ALA 124 N -0.02 2.43 0.00 4.31 0.00 -0.00 -4.60 121.76 123.88 1ael s ALA 124 Ca 0.88 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1ael s ALA 124 Cb -1.23 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1ael s ALA 124 CO 0.55 -0.70 0.00 1.63 0.00 0.00 0.00 175.76 177.24 1ael n LYS 125 N 4.54 0.00 0.00 0.00 4.01 -1.06 -2.62 118.16 123.03 1ael n LYS 125 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 1ael n LYS 125 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 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 0.26 116.66 122.74 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 -0.85 0.55 -0.00 -1.26 -4.76 119.36 113.04 1ael n ILE 127 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 1ael n ILE 127 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 39.64 39.74 1ael n ILE 127 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 1ael n PHE 128 N -0.52 -2.47 0.53 1.39 1.16 -1.23 0.89 117.46 117.21 1ael n PHE 128 Ca 0.00 0.19 0.06 0.00 -1.87 0.00 0.00 57.45 55.83 1ael n PHE 128 Cb 0.00 -1.61 -0.08 0.00 -1.61 0.00 0.00 39.48 36.18 1ael n PHE 128 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 129 N -0.20 2.36 -0.40 3.97 5.02 -1.26 -3.66 118.16 123.99 1ael n LYS 129 Ca 0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1ael n LYS 129 Cb 0.58 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ael n LYS 130 N -1.40 0.00 0.00 1.97 0.00 -1.26 -4.76 118.16 112.71 1ael n LYS 130 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 1ael n LYS 130 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 35.03 35.05 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49