#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ael s PHE 2 N 0.00 3.03 0.20 0.00 -0.12 -1.26 -5.00 117.98 114.83 1ael s PHE 2 Ca 0.00 -0.29 -0.06 0.00 -0.05 0.00 0.00 56.93 56.53 1ael s PHE 2 Cb 0.00 -3.51 -0.02 0.00 -0.63 0.00 0.00 43.02 38.86 1ael s PHE 2 CO 0.00 -1.00 0.25 0.16 -0.05 0.00 0.00 175.22 174.58 1ael s ASP 3 N 2.42 0.08 0.83 1.98 -4.77 -1.11 -4.61 116.67 111.49 1ael s ASP 3 Ca 0.20 -1.14 0.00 0.00 -3.30 0.00 0.00 52.55 48.31 1ael s ASP 3 Cb -0.16 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.10 1ael s ASP 3 CO 0.15 -0.92 0.00 0.61 0.70 0.00 0.00 175.17 175.72 1ael n GLY 4 N -0.27 -0.68 3.79 2.12 0.00 -0.63 -4.57 105.19 104.95 1ael n GLY 4 Ca -0.02 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 1.86 0.00 2.61 -4.23 -1.16 0.53 115.64 115.24 1ael s THR 5 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1ael s THR 5 Cb 0.00 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1ael s THR 5 CO 0.00 0.00 0.00 0.79 -0.54 0.00 0.00 174.62 174.87 1ael n TRP 6 N -4.11 0.00 0.00 3.99 5.03 -1.26 -3.92 117.44 117.17 1ael n TRP 6 Ca 0.13 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.66 1ael n TRP 6 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.87 1ael n TRP 6 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1ael n LYS 7 N -0.02 0.00 -2.88 -0.99 5.02 -1.26 -2.38 118.16 115.65 1ael n LYS 7 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1ael n LYS 7 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 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 -0.08 -0.44 -0.18 0.31 -1.25 -3.62 118.33 113.08 1ael n VAL 8 Ca 0.00 -2.46 0.36 0.00 -0.01 0.00 0.00 64.34 62.23 1ael n VAL 8 Cb 0.00 0.86 0.65 0.00 -0.91 0.00 0.00 33.84 34.44 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 3.14 0.25 -5.51 4.52 1.82 0.11 -3.42 116.42 117.33 1ael h ASP 9 Ca -0.04 0.13 -0.31 0.00 -0.39 0.00 0.00 57.03 56.42 1ael h ASP 9 Cb 1.05 0.12 -0.14 0.00 0.68 0.00 0.00 39.33 41.03 1ael h ASP 9 CO 0.27 -0.17 -0.59 0.00 -1.61 0.00 0.00 179.24 177.14 1ael s ARG 10 N -5.30 1.37 -0.23 0.28 3.03 -0.92 -4.99 118.95 112.18 1ael s ARG 10 Ca -0.08 -1.75 -0.03 0.00 2.03 0.00 0.00 55.73 55.91 1ael s ARG 10 Cb 0.30 0.21 0.12 0.00 -1.03 0.00 0.00 34.95 34.55 1ael s ARG 10 CO 0.82 -0.44 0.33 -0.80 -1.13 0.00 0.00 175.30 174.08 1ael s ASN 11 N -3.23 0.58 0.00 -2.89 0.01 -1.26 -4.14 114.94 104.01 1ael s ASN 11 Ca 0.39 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.62 1ael s ASN 11 Cb 0.06 0.90 0.00 0.00 0.41 0.00 0.00 41.25 42.62 1ael s ASN 11 CO 0.16 -0.31 0.12 1.21 -1.51 0.00 0.00 177.10 176.77 1ael n GLU 12 N 5.35 0.00 -0.48 -0.60 0.00 0.14 -4.51 120.64 120.54 1ael n GLU 12 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.23 1ael n GLU 12 Cb 0.50 -0.53 0.34 0.00 0.00 0.00 0.00 31.44 31.75 1ael n GLU 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ael n ASN 13 N -0.37 4.29 -0.33 4.31 5.03 -1.26 -4.65 115.26 122.29 1ael n ASN 13 Ca 0.00 -2.18 -0.04 0.00 0.87 0.00 0.00 54.58 53.23 1ael n ASN 13 Cb 0.00 -0.53 0.08 0.00 -1.02 0.00 0.00 39.78 38.31 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1ael h TYR 14 N 4.24 1.21 0.18 3.10 3.20 -1.82 -1.89 116.97 125.18 1ael h TYR 14 Ca 0.00 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1ael h TYR 14 Cb 1.18 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1ael h TYR 14 CO 0.61 0.83 -0.08 0.93 -1.64 0.00 0.00 178.16 178.81 1ael h GLU 15 N 1.23 -0.23 0.00 1.82 5.08 -1.88 -3.05 114.58 117.56 1ael h GLU 15 Ca 0.31 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1ael h GLU 15 Cb 0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1ael h GLU 15 CO -0.05 -0.06 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.45 1ael h LYS 16 N -0.35 0.00 -0.59 2.33 3.64 -1.93 -3.14 116.57 116.54 1ael h LYS 16 Ca -0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1ael h LYS 16 Cb 0.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1ael h LYS 16 CO 0.04 0.22 0.39 0.35 -2.27 0.00 0.00 179.45 178.18 1ael h PHE 17 N 0.00 0.66 0.05 1.91 3.57 -1.23 -1.30 116.94 120.60 1ael h PHE 17 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ael h PHE 17 Cb 0.88 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1ael h PHE 17 CO 0.00 0.39 -0.02 0.52 -2.23 0.00 0.00 178.31 176.96 1ael h MET 18 N 0.69 -0.07 -0.74 1.11 2.86 -1.57 -3.37 114.93 113.84 1ael h MET 18 Ca 0.23 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.05 1ael h MET 18 Cb 0.08 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.63 1ael h MET 18 CO -0.06 0.42 0.01 1.49 1.06 0.00 0.00 176.91 179.82 1ael h GLU 19 N -0.97 0.11 0.00 1.72 4.81 -1.46 -2.30 114.58 116.49 1ael h GLU 19 Ca -0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1ael h GLU 19 Cb 0.51 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ael h GLU 19 CO 0.01 0.07 -0.12 0.87 -0.73 0.00 0.00 179.01 179.11 1ael h LYS 20 N 0.11 0.00 0.00 1.92 1.79 -1.39 -1.12 116.57 117.88 1ael h LYS 20 Ca 0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1ael h LYS 20 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1ael h LYS 20 CO -0.65 0.12 0.00 -1.33 -1.08 0.00 0.00 179.45 176.52 1ael n MET 21 N -3.53 0.90 0.00 3.15 0.00 -0.88 -4.78 117.12 111.98 1ael n MET 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1ael n MET 21 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.99 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 0.94 1.71 3.54 3.03 0.00 -0.52 -4.65 105.19 109.22 1ael n GLY 22 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 4.03 0.92 -0.61 1.09 -0.60 -4.66 121.20 119.36 1ael s ILE 23 Ca 0.00 0.37 -0.15 0.00 -1.10 0.00 0.00 60.65 59.77 1ael s ILE 23 Cb 0.00 -4.76 -0.05 0.00 -1.06 0.00 0.00 42.46 36.59 1ael s ILE 23 CO 0.00 -1.52 -0.07 0.59 -0.10 0.00 0.00 174.94 173.84 1ael n ASN 24 N 8.48 -3.57 0.30 3.58 5.03 -1.26 -4.18 115.26 123.64 1ael n ASN 24 Ca 0.03 0.32 0.20 0.00 0.87 0.00 0.00 54.58 56.00 1ael n ASN 24 Cb 0.48 -1.02 0.92 0.00 -1.02 0.00 0.00 39.78 39.14 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 -1.12 0.00 0.00 2.41 -1.51 -1.95 -3.00 116.25 111.08 1ael h VAL 25 Ca -0.44 -0.29 -0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1ael h VAL 25 Cb 1.31 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1ael h VAL 25 CO 0.31 0.00 -0.00 0.58 -1.23 0.00 0.00 177.57 177.23 1ael h VAL 26 N 0.00 0.10 0.00 7.19 2.07 -1.99 0.83 116.25 124.45 1ael h VAL 26 Ca -0.00 -0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1ael h VAL 26 Cb 0.29 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ael h VAL 26 CO 0.00 0.00 -0.51 0.11 0.02 0.00 0.00 177.57 177.19 1ael h LYS 27 N 0.00 0.00 -0.21 1.57 6.56 -1.87 -3.24 116.57 119.39 1ael h LYS 27 Ca -0.00 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1ael h LYS 27 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1ael h LYS 27 CO 0.00 0.50 0.16 -0.09 -2.06 0.00 0.00 179.45 177.96 1ael h ARG 28 N 0.00 0.00 -7.09 3.15 2.43 0.55 -3.39 114.38 110.03 1ael h ARG 28 Ca -0.01 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.61 1ael h ARG 28 Cb 1.39 0.00 0.15 0.00 -0.42 0.00 0.00 29.97 31.08 1ael h ARG 28 CO 0.07 0.00 0.53 0.15 -1.51 0.00 0.00 179.97 179.21 1ael s LYS 29 N -4.97 2.76 -1.78 0.20 -0.14 -1.22 -1.32 119.74 113.27 1ael s LYS 29 Ca -0.05 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 56.63 1ael s LYS 29 Cb 0.18 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 1ael s LYS 29 CO 0.67 -1.44 0.00 1.28 -0.76 0.00 0.00 175.35 175.10 1ael n LEU 30 N -1.64 -1.44 0.00 3.17 4.77 -1.26 -4.49 117.00 116.10 1ael n LEU 30 Ca 0.14 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1ael n LEU 30 Cb 0.48 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 1ael n LEU 30 CO 0.48 -0.72 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1ael n GLY 31 N -0.85 3.15 3.56 -0.72 0.00 -0.43 -3.87 105.19 106.02 1ael n GLY 31 Ca -0.19 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1ael n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ael s ALA 32 N -1.63 2.16 0.00 4.61 0.00 -1.26 -4.55 121.76 121.09 1ael s ALA 32 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1ael s ALA 32 Cb 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1ael s ALA 32 CO 0.00 -4.21 0.00 0.72 0.00 0.00 0.00 175.76 172.27 1ael n HIS 33 N 11.68 0.00 0.00 0.00 -0.00 -1.25 -2.86 115.22 122.79 1ael n HIS 33 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1ael n HIS 33 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 1ael n HIS 33 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1ael n ASP 34 N -1.49 0.00 -0.81 0.41 9.92 -1.26 -3.98 116.55 119.34 1ael n ASP 34 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1ael n ASP 34 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1ael n ASP 34 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ael n ASN 35 N 0.00 -4.14 -1.66 -2.24 5.15 -1.14 -2.06 115.26 109.17 1ael n ASN 35 Ca 0.00 0.23 -0.03 0.00 -0.60 0.00 0.00 54.58 54.17 1ael n ASN 35 Cb 0.00 -2.60 0.01 0.00 -0.53 0.00 0.00 39.78 36.66 1ael n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ael n LEU 36 N -1.17 0.00 0.00 1.20 -0.00 -1.26 -3.80 117.00 111.97 1ael n LEU 36 Ca -0.10 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 54.98 1ael n LEU 36 Cb 0.35 1.39 0.00 0.00 -0.00 0.00 0.00 43.42 45.16 1ael n LEU 36 CO 0.15 -0.31 0.00 1.17 -0.00 0.00 0.00 177.39 178.40 1ael n LYS 37 N -0.20 0.00 -0.32 1.47 4.81 -1.24 -4.30 118.16 118.38 1ael n LYS 37 Ca -0.03 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.50 1ael n LYS 37 Cb 0.22 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.56 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 0.00 0.82 -0.79 3.14 7.12 -1.69 0.68 115.31 124.59 1ael h LEU 38 Ca 0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1ael h LEU 38 Cb 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1ael h LEU 38 CO 0.00 0.44 -0.60 0.41 -0.13 0.00 0.00 178.44 178.56 1ael n THR 39 N -4.59 -3.51 -3.67 1.05 -1.04 -1.00 0.15 114.28 101.67 1ael n THR 39 Ca 0.18 1.62 -0.22 0.00 -2.04 0.00 0.00 64.05 63.58 1ael n THR 39 Cb 0.38 -2.18 -0.18 0.00 -1.82 0.00 0.00 70.33 66.53 1ael n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ael s ILE 40 N -2.87 -0.03 0.00 12.58 1.01 0.19 -1.83 121.20 130.24 1ael s ILE 40 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1ael s ILE 40 Cb 0.00 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1ael s ILE 40 CO 0.00 0.05 0.00 0.35 0.00 0.00 0.00 174.94 175.34 1ael n THR 41 N 5.27 0.00 -3.51 2.92 -2.24 -1.26 -1.60 114.28 113.87 1ael n THR 41 Ca -0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1ael n THR 41 Cb 0.50 -0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 67.81 1ael n THR 41 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ael s GLN 42 N -0.28 0.33 -0.62 -0.78 -0.44 -1.26 -4.68 119.66 111.93 1ael s GLN 42 Ca 0.00 0.79 0.02 0.00 -2.50 0.00 0.00 55.36 53.67 1ael s GLN 42 Cb 0.00 -0.06 0.38 0.00 -1.64 0.00 0.00 33.01 31.70 1ael s GLN 42 CO 0.00 -0.44 1.44 -1.91 0.50 0.00 0.00 175.29 174.88 1ael n GLU 43 N 5.38 3.31 0.00 1.67 0.00 0.85 -4.93 120.64 126.92 1ael n GLU 43 Ca -0.06 -4.23 0.00 0.00 0.00 0.00 0.00 57.16 52.87 1ael n GLU 43 Cb 0.50 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.67 1ael n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ael n GLY 44 N -0.45 2.32 0.00 8.31 0.00 -1.26 -3.69 105.19 110.43 1ael n GLY 44 Ca 0.44 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1ael n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 45 N 5.18 0.00 -4.25 1.61 4.13 -1.26 -5.01 115.26 115.66 1ael n ASN 45 Ca 0.00 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.92 1ael n ASN 45 Cb 0.00 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.36 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 -1.02 -0.72 -3.71 3.52 4.81 -1.24 -4.51 118.16 115.28 1ael n LYS 46 Ca 0.00 -0.19 -0.13 0.00 -0.87 0.00 0.00 58.31 57.12 1ael n LYS 46 Cb 0.00 -1.57 -0.10 0.00 0.02 0.00 0.00 35.03 33.38 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1ael s PHE 47 N -2.23 -0.52 -1.45 5.64 -0.12 -1.20 -0.11 117.98 117.99 1ael s PHE 47 Ca 0.52 1.26 -0.13 0.00 -0.05 0.00 0.00 56.93 58.52 1ael s PHE 47 Cb -0.13 0.18 0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1ael s PHE 47 CO 0.69 -0.25 2.24 2.41 -0.05 0.00 0.00 175.22 180.25 1ael n THR 48 N 2.90 3.57 -2.83 -4.49 -1.04 -1.26 -3.50 114.28 107.63 1ael n THR 48 Ca -0.14 -3.11 -0.37 0.00 -2.04 0.00 0.00 64.05 58.40 1ael n THR 48 Cb 0.57 -2.59 -0.06 0.00 -1.82 0.00 0.00 70.33 66.43 1ael n THR 48 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ael s VAL 49 N 2.91 4.27 0.00 12.58 -7.23 -0.07 -4.05 120.40 128.81 1ael s VAL 49 Ca 0.47 1.73 0.00 0.00 -1.81 0.00 0.00 61.98 62.38 1ael s VAL 49 Cb 0.14 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1ael s VAL 49 CO -0.08 0.14 0.00 1.17 -0.31 0.00 0.00 175.10 176.02 1ael n LYS 50 N 0.55 0.00 0.00 4.82 4.81 0.39 0.26 118.16 128.98 1ael n LYS 50 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1ael n LYS 50 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 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 0.24 -3.46 120.64 119.05 1ael n GLU 51 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 1ael n GLU 51 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 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 7.40 0.00 4.31 7.64 -1.01 -3.73 113.62 128.23 1ael n SER 52 Ca 0.00 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.23 1ael n SER 52 Cb 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1ael n SER 52 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ael n SER 53 N 0.01 0.00 -2.83 6.43 7.64 -1.26 -4.68 113.62 118.93 1ael n SER 53 Ca 0.52 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 60.19 1ael n SER 53 Cb 0.28 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.47 1ael n SER 53 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ael n ASN 54 N 0.00 2.93 0.00 6.43 2.85 -0.87 -4.71 115.26 121.89 1ael n ASN 54 Ca 0.00 -3.31 0.00 0.00 -0.11 0.00 0.00 54.58 51.16 1ael n ASN 54 Cb 0.00 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.48 1ael n ASN 54 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ael n PHE 55 N -0.13 -0.42 0.02 1.20 3.72 -1.26 -4.62 117.46 115.97 1ael n PHE 55 Ca 0.27 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.73 1ael n PHE 55 Cb 0.62 0.38 -0.09 0.00 -0.94 0.00 0.00 39.48 39.44 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 -2.13 0.49 -3.02 -1.08 1.74 -1.26 -5.03 116.66 106.36 1ael n ARG 56 Ca 0.00 -0.10 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 1ael n ARG 56 Cb 0.00 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 1ael n ARG 56 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ael n ASN 57 N -1.89 -7.59 -3.52 0.55 5.15 -1.26 -5.01 115.26 101.69 1ael n ASN 57 Ca -0.02 0.18 -0.11 0.00 -0.60 0.00 0.00 54.58 54.03 1ael n ASN 57 Cb 0.31 -4.95 -0.03 0.00 -0.53 0.00 0.00 39.78 34.58 1ael n ASN 57 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1ael s ILE 58 N -2.71 0.00 0.27 -1.44 2.07 -1.24 -4.90 121.20 113.24 1ael s ILE 58 Ca 0.15 -1.38 0.11 0.00 -1.41 0.00 0.00 60.65 58.12 1ael s ILE 58 Cb -0.04 -2.48 -0.05 0.00 0.13 0.00 0.00 42.46 40.03 1ael s ILE 58 CO 0.78 0.00 -0.15 1.51 -1.91 0.00 0.00 174.94 175.17 1ael s ASP 59 N -3.10 3.84 0.06 4.50 -4.77 -1.26 -2.39 116.67 113.55 1ael s ASP 59 Ca 0.23 -0.91 0.09 0.00 -3.30 0.00 0.00 52.55 48.66 1ael s ASP 59 Cb -0.02 -0.45 -0.03 0.00 -1.09 0.00 0.00 42.92 41.34 1ael s ASP 59 CO 0.13 0.04 -0.25 -0.69 0.70 0.00 0.00 175.17 175.10 1ael s VAL 60 N -2.40 2.07 -0.16 2.11 1.01 0.14 -4.96 120.40 118.21 1ael s VAL 60 Ca 0.30 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 1ael s VAL 60 Cb -0.06 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.61 1ael s VAL 60 CO 0.16 0.27 0.17 0.54 0.00 0.00 0.00 175.10 176.25 1ael s VAL 61 N -0.87 -0.25 -0.23 2.92 0.11 -1.26 -0.89 120.40 119.93 1ael s VAL 61 Ca 0.11 -0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.98 1ael s VAL 61 Cb -0.10 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1ael s VAL 61 CO 0.03 -0.13 0.58 0.72 -3.33 0.00 0.00 175.10 172.97 1ael s PHE 62 N 2.27 -0.73 -0.83 1.54 -0.71 -1.23 -4.96 117.98 113.34 1ael s PHE 62 Ca 0.05 1.66 -0.24 0.00 -1.04 0.00 0.00 56.93 57.36 1ael s PHE 62 Cb -0.15 0.32 -0.17 0.00 -1.21 0.00 0.00 43.02 41.81 1ael s PHE 62 CO -0.10 -0.36 2.35 0.39 -1.34 0.00 0.00 175.22 176.16 1ael n GLU 63 N 3.33 0.45 0.00 1.99 4.71 -1.26 -3.27 120.64 126.60 1ael n GLU 63 Ca -0.17 -0.83 0.00 0.00 -0.01 0.00 0.00 57.16 56.16 1ael n GLU 63 Cb 0.56 -3.41 0.00 0.00 -1.01 0.00 0.00 31.44 27.59 1ael n GLU 63 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1ael n LEU 64 N 17.33 0.00 0.00 -4.62 -0.00 -1.26 -4.22 117.00 124.23 1ael n LEU 64 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 1ael n LEU 64 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1ael n LEU 64 CO 0.60 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.60 1ael n GLY 65 N 0.00 0.72 3.23 1.47 0.00 0.42 -4.67 105.19 106.36 1ael n GLY 65 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1ael n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ael s VAL 66 N 0.00 1.38 1.34 1.61 -7.23 -1.26 -4.90 120.40 111.34 1ael s VAL 66 Ca 0.00 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.43 1ael s VAL 66 Cb 0.00 -1.39 0.33 0.00 0.56 0.00 0.00 36.38 35.87 1ael s VAL 66 CO 0.00 -0.25 0.81 -0.90 -0.31 0.00 0.00 175.10 174.45 1ael n ASP 67 N 0.92 -3.36 0.14 4.85 5.68 -1.25 -4.16 116.55 119.37 1ael n ASP 67 Ca -0.18 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1ael n ASP 67 Cb 0.55 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1ael n ASP 67 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1ael n PHE 68 N -5.43 -2.80 -3.53 2.11 3.01 -1.21 -4.87 117.46 104.74 1ael n PHE 68 Ca 0.09 0.67 -0.19 0.00 1.01 0.00 0.00 57.45 59.03 1ael n PHE 68 Cb 0.56 1.44 0.06 0.00 -0.01 0.00 0.00 39.48 41.54 1ael n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ael n ALA 69 N -3.30 -2.10 -0.07 4.37 0.00 0.47 -4.92 120.51 114.95 1ael n ALA 69 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1ael n ALA 69 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 19.45 16.70 1ael n ALA 69 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ael n TYR 70 N -4.08 0.85 0.00 0.00 9.36 0.49 -4.90 117.16 118.89 1ael n TYR 70 Ca -0.26 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.33 1ael n TYR 70 Cb 0.66 -0.75 0.00 0.00 -0.63 0.00 0.00 39.34 38.62 1ael n TYR 70 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ael n SER 71 N -4.60 0.00 -3.15 2.98 3.41 0.51 -4.52 113.62 108.25 1ael n SER 71 Ca -0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.23 1ael n SER 71 Cb 0.29 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1ael n SER 71 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ael n LEU 72 N 0.00 -1.88 -4.16 1.04 -0.00 -1.26 -1.82 117.00 108.92 1ael n LEU 72 Ca 0.00 -0.27 -0.31 0.00 -0.00 0.00 0.00 56.01 55.42 1ael n LEU 72 Cb 0.00 -1.29 -0.06 0.00 -0.00 0.00 0.00 43.42 42.07 1ael n LEU 72 CO 0.00 0.08 -0.36 0.00 -0.00 0.00 0.00 177.39 177.11 1ael n ALA 73 N -0.57 -2.10 0.00 1.96 0.00 -1.26 -4.60 120.51 113.93 1ael n ALA 73 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1ael n ALA 73 Cb 0.56 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1ael n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ael n ASP 74 N -2.82 -0.90 0.00 0.00 9.92 -0.75 -4.98 116.55 117.01 1ael n ASP 74 Ca -0.29 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1ael n ASP 74 Cb 0.68 0.56 0.00 0.00 -0.64 0.00 0.00 41.12 41.71 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 0.77 1.78 0.00 0.44 0.00 -1.15 -4.87 105.19 102.16 1ael n GLY 75 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.01 2.61 -1.04 -1.23 -4.79 114.28 109.84 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 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.00 0.00 -2.93 -2.82 0.00 -1.26 -4.64 120.64 108.99 1ael n GLU 77 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1ael n GLU 77 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1ael n GLU 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ael n LEU 78 N -2.54 -5.39 -3.93 4.31 4.77 -1.26 0.19 117.00 113.15 1ael n LEU 78 Ca 0.00 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 1ael n LEU 78 Cb 0.00 -2.31 -0.13 0.00 -2.33 0.00 0.00 43.42 38.65 1ael n LEU 78 CO 0.00 -2.80 -0.08 -0.89 -1.33 0.00 0.00 177.39 172.29 1ael s THR 79 N -0.76 2.81 0.34 -5.08 2.01 -1.25 0.18 115.64 113.89 1ael s THR 79 Ca -0.07 -3.90 -0.03 0.00 0.31 0.00 0.00 61.69 58.01 1ael s THR 79 Cb 0.00 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.63 1ael s THR 79 CO 0.34 -0.93 0.48 -0.83 -0.69 0.00 0.00 174.62 172.99 1ael s GLY 80 N -0.97 1.43 -0.44 4.40 0.00 -1.26 -3.91 107.32 106.58 1ael s GLY 80 Ca 0.22 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1ael s GLY 80 CO -0.10 -0.98 0.18 -0.51 0.00 0.00 0.00 173.10 171.69 1ael s THR 81 N -3.09 2.16 0.29 0.90 -4.23 -1.26 -3.34 115.64 107.07 1ael s THR 81 Ca 0.30 -2.75 -0.30 0.00 -1.18 0.00 0.00 61.69 57.76 1ael s THR 81 Cb -0.00 -2.54 -0.12 0.00 1.34 0.00 0.00 72.50 71.18 1ael s THR 81 CO 0.20 -0.75 1.57 0.79 -0.54 0.00 0.00 174.62 175.89 1ael n TRP 82 N 3.66 2.75 -3.95 3.99 7.02 -1.06 -4.52 117.44 125.33 1ael n TRP 82 Ca 0.05 0.28 -0.07 0.00 -1.02 0.00 0.00 57.50 56.74 1ael n TRP 82 Cb 0.36 -2.58 -0.02 0.00 -2.42 0.00 0.00 31.31 26.65 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 2.10 0.00 -1.79 -0.99 -2.24 -1.26 0.16 114.28 110.25 1ael n THR 83 Ca 0.09 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1ael n THR 83 Cb 0.36 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.25 0.00 -0.12 -0.78 0.00 -1.26 0.21 117.12 114.92 1ael n MET 84 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.72 1ael n MET 84 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.47 1ael n MET 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ael n GLU 85 N 0.00 0.00 0.23 3.17 2.13 0.13 -4.75 120.64 121.54 1ael n GLU 85 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1ael n GLU 85 Cb 0.00 0.00 0.87 0.00 0.27 0.00 0.00 31.44 32.58 1ael n GLU 85 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1ael h GLY 86 N 0.00 0.00 -3.14 8.31 0.00 -2.00 -3.22 103.07 103.02 1ael h GLY 86 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1ael h GLY 86 CO 0.00 0.00 -0.44 1.16 0.00 0.00 0.00 176.54 177.26 1ael n ASN 87 N -3.62 -0.67 0.00 0.19 6.94 -1.26 -5.04 115.26 111.80 1ael n ASN 87 Ca 0.01 -2.06 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 1ael n ASN 87 Cb 0.32 0.26 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1ael n ASN 87 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1ael n LYS 88 N -0.37 0.00 -0.23 -3.83 2.85 -1.16 -4.36 118.16 111.05 1ael n LYS 88 Ca -0.18 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.84 1ael n LYS 88 Cb 0.82 0.00 0.23 0.00 -0.65 0.00 0.00 35.03 35.42 1ael n LYS 88 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ael n LEU 89 N 0.00 0.00 -0.12 -5.58 4.77 -1.26 0.18 117.00 114.99 1ael n LEU 89 Ca 0.00 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1ael n LEU 89 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1ael n LEU 89 CO 0.00 -2.59 0.12 0.52 -1.33 0.00 0.00 177.39 174.11 1ael n VAL 90 N -5.19 0.00 0.00 4.08 0.31 0.57 -4.53 118.33 113.58 1ael n VAL 90 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1ael n VAL 90 Cb 0.46 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 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 0.00 0.00 0.34 2.92 0.00 0.25 -4.09 105.19 104.61 1ael n GLY 91 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.69 -2.34 1.61 4.76 -1.25 -2.56 118.16 117.69 1ael n LYS 92 Ca 0.00 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 1ael n LYS 92 Cb 0.00 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 -1.99 0.00 0.00 2.13 1.16 -1.26 -3.93 117.46 113.57 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 0.16 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.03 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 -0.05 3.97 5.02 -1.20 -4.21 118.16 121.69 1ael n LYS 94 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1ael n LYS 94 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 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 -0.71 -0.08 1.97 5.12 -1.26 -3.76 116.66 117.94 1ael n ARG 95 Ca 0.00 -0.11 -0.11 0.00 -1.93 0.00 0.00 57.85 55.70 1ael n ARG 95 Cb 0.00 -0.19 -0.08 0.00 -1.16 0.00 0.00 32.46 31.03 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 -2.89 0.91 -0.32 1.55 0.31 -1.26 -1.99 118.33 114.63 1ael n VAL 96 Ca 0.01 -0.36 0.29 0.00 -0.01 0.00 0.00 64.34 64.27 1ael n VAL 96 Cb 0.05 -1.03 0.54 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.35 0.00 4.52 1.82 -1.91 -3.38 116.42 117.81 1ael h ASP 97 Ca -0.35 0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1ael h ASP 97 Cb 1.57 0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.81 1ael h ASP 97 CO -0.05 -0.35 0.00 -3.20 -1.61 0.00 0.00 179.24 174.03 1ael n ASN 98 N -5.21 0.00 -2.46 2.28 5.15 -1.26 -5.08 115.26 108.68 1ael n ASN 98 Ca 0.36 -0.17 -0.02 0.00 -0.60 0.00 0.00 54.58 54.14 1ael n ASN 98 Cb 1.18 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 40.44 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 0.00 -0.75 2.67 8.20 0.00 -0.84 -4.86 105.19 109.61 1ael n GLY 99 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.68 -2.28 -3.09 1.61 4.01 -1.26 -4.56 118.16 110.90 1ael n LYS 100 Ca -0.01 -1.35 -0.16 0.00 -0.51 0.00 0.00 58.31 56.28 1ael n LYS 100 Cb 0.51 -1.19 -0.00 0.00 -0.51 0.00 0.00 35.03 33.84 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 -3.82 0.97 0.00 1.97 4.71 -1.26 -3.21 120.64 119.99 1ael n GLU 101 Ca 0.12 -3.05 0.00 0.00 -0.01 0.00 0.00 57.16 54.21 1ael n GLU 101 Cb 0.44 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 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 0.33 0.00 0.00 -4.62 4.32 -1.26 -1.52 117.00 114.25 1ael n LEU 102 Ca 0.21 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 1ael n LEU 102 Cb 0.67 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1ael n LEU 102 CO 0.17 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 175.96 1ael n ILE 103 N -0.64 0.00 0.00 -0.08 2.08 -1.25 0.48 119.36 119.95 1ael n ILE 103 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 103 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1ael n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n ALA 104 N -1.56 0.00 -1.00 -1.39 0.00 -1.26 -0.68 120.51 114.62 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 -0.05 0.85 118.33 119.43 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 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.24 -4.33 116.66 118.75 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 -0.04 -0.14 -0.58 -1.15 -0.40 120.64 118.33 1ael n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ael n GLU 107 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 -1.10 -3.09 -3.67 3.06 -1.26 -2.96 119.36 110.34 1ael n ILE 108 Ca 0.00 0.05 0.04 0.00 -2.50 0.00 0.00 62.75 60.34 1ael n ILE 108 Cb 0.00 -0.34 -0.00 0.00 0.54 0.00 0.00 39.64 39.84 1ael n ILE 108 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1ael s SER 109 N -1.75 -0.91 0.44 9.51 0.15 -1.26 -4.84 113.70 115.03 1ael s SER 109 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1ael s SER 109 Cb 0.00 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 1ael s SER 109 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1ael n GLY 110 N 4.85 1.09 2.79 9.45 0.00 -1.26 -3.33 105.19 118.78 1ael n GLY 110 Ca 0.08 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1ael n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ael n ASN 111 N 1.58 3.84 -2.87 1.61 0.23 -1.26 -4.81 115.26 113.58 1ael n ASN 111 Ca 0.00 -2.83 -0.15 0.00 -0.53 0.00 0.00 54.58 51.06 1ael n ASN 111 Cb 0.00 -1.63 -0.05 0.00 -2.08 0.00 0.00 39.78 36.02 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1ael n GLU 112 N 6.25 0.58 -1.22 -3.83 4.71 -1.21 -5.04 120.64 120.88 1ael n GLU 112 Ca 0.52 -2.22 -0.01 0.00 -0.01 0.00 0.00 57.16 55.43 1ael n GLU 112 Cb 0.39 1.37 0.01 0.00 -1.01 0.00 0.00 31.44 32.21 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 113 N 0.00 -0.34 -3.12 -4.62 4.77 -1.25 -4.34 117.00 108.10 1ael n LEU 113 Ca -0.01 -1.08 -0.14 0.00 -0.03 0.00 0.00 56.01 54.75 1ael n LEU 113 Cb 0.40 0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.71 1ael n LEU 113 CO 0.21 0.99 1.38 2.30 -1.33 0.00 0.00 177.39 180.94 1ael n ILE 114 N -0.21 0.00 0.29 -0.08 -0.00 0.46 -4.35 119.36 115.46 1ael n ILE 114 Ca -0.06 -0.35 0.16 0.00 -0.00 0.00 0.00 62.75 62.50 1ael n ILE 114 Cb 0.49 0.00 0.88 0.00 -0.00 0.00 0.00 39.64 41.00 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 7.57 0.00 -4.12 6.28 4.20 -1.81 0.69 115.11 127.92 1ael h GLN 115 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ael h GLN 115 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1ael h GLN 115 CO 1.10 0.00 0.00 2.41 -0.67 0.00 0.00 178.83 181.67 1ael n THR 116 N -2.75 0.00 -3.33 -0.54 -1.04 -1.25 -0.88 114.28 104.50 1ael n THR 116 Ca -0.02 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.53 1ael n THR 116 Cb 0.20 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.67 1ael n THR 116 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ael s TYR 117 N -2.34 3.46 -1.42 -1.42 1.13 -1.20 -3.41 117.35 112.15 1ael s TYR 117 Ca 0.00 -1.61 -0.07 0.00 -1.41 0.00 0.00 57.07 53.98 1ael s TYR 117 Cb 0.00 -3.79 0.03 0.00 -1.10 0.00 0.00 41.96 37.11 1ael s TYR 117 CO 0.00 -1.00 2.63 2.41 -2.51 0.00 0.00 175.55 177.07 1ael n THR 118 N 4.71 4.85 -2.25 -3.49 -1.04 1.78 -2.19 114.28 116.65 1ael n THR 118 Ca -0.03 -3.61 -0.43 0.00 -2.04 0.00 0.00 64.05 57.95 1ael n THR 118 Cb 0.43 -2.28 -0.02 0.00 -1.82 0.00 0.00 70.33 66.63 1ael n THR 118 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ael s TYR 119 N 0.15 2.38 -0.04 -1.42 -0.85 -0.58 -2.80 117.35 114.19 1ael s TYR 119 Ca 0.60 0.68 0.00 0.00 -0.52 0.00 0.00 57.07 57.84 1ael s TYR 119 Cb 0.19 -3.89 0.00 0.00 0.38 0.00 0.00 41.96 38.64 1ael s TYR 119 CO -0.08 -2.45 0.00 -1.91 -1.52 0.00 0.00 175.55 169.59 1ael n GLU 120 N 7.37 -1.08 -0.80 -3.49 4.07 -1.26 -3.00 120.64 122.44 1ael n GLU 120 Ca 0.17 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1ael n GLU 120 Cb 0.45 -4.12 0.00 0.00 -0.06 0.00 0.00 31.44 27.71 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 -0.84 1.16 0.17 8.31 0.00 -1.12 -5.04 105.19 107.83 1ael n GLY 121 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.32 0.00 -0.15 1.61 0.31 -1.16 -5.07 118.33 112.55 1ael n VAL 122 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1ael n VAL 122 Cb 0.17 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1ael n VAL 122 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ael n GLU 123 N -2.26 -0.42 -3.67 5.55 2.13 -0.93 -4.86 120.64 116.17 1ael n GLU 123 Ca 0.00 0.31 -0.17 0.00 0.66 0.00 0.00 57.16 57.95 1ael n GLU 123 Cb 0.00 -0.34 -0.16 0.00 0.27 0.00 0.00 31.44 31.21 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 -1.57 -0.07 0.00 4.31 0.00 -0.98 -4.40 121.76 119.05 1ael s ALA 124 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1ael s ALA 124 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1ael s ALA 124 CO 0.00 -0.54 0.00 1.63 0.00 0.00 0.00 175.76 176.85 1ael n LYS 125 N 5.29 0.00 0.00 0.00 4.01 -1.26 -3.25 118.16 122.94 1ael n LYS 125 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1ael n LYS 125 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 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 0.26 116.66 122.75 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 -1.07 0.55 -0.00 -1.26 -4.78 119.36 112.80 1ael n ILE 127 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 1ael n ILE 127 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.64 39.72 1ael n ILE 127 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 1ael n PHE 128 N -1.14 -1.87 0.63 1.39 1.16 -1.24 0.14 117.46 116.54 1ael n PHE 128 Ca 0.00 0.26 0.08 0.00 -1.87 0.00 0.00 57.45 55.91 1ael n PHE 128 Cb 0.00 -1.78 0.06 0.00 -1.61 0.00 0.00 39.48 36.15 1ael n PHE 128 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1ael n LYS 129 N -0.36 1.16 0.00 3.97 0.00 -1.25 -3.56 118.16 118.12 1ael n LYS 129 Ca 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 58.31 57.02 1ael n LYS 129 Cb 0.52 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ael n LYS 130 N 0.78 0.00 0.00 1.64 0.00 -1.26 -4.74 118.16 114.58 1ael n LYS 130 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1ael n LYS 130 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.40 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49