#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ee2 s ASN 3 N 0.00 6.33 -0.05 3.54 2.47 -1.26 -4.95 114.94 121.01 3ee2 s ASN 3 Ca 0.00 0.38 0.06 0.00 0.42 0.00 0.00 52.86 53.72 3ee2 s ASN 3 Cb 0.00 -2.20 -0.01 0.00 -1.45 0.00 0.00 41.25 37.60 3ee2 s ASN 3 CO 0.00 -0.05 -0.23 -0.31 -3.72 0.00 0.00 177.10 172.79 3ee2 s TYR 4 N 1.33 2.25 -0.14 0.43 1.51 -1.26 -1.15 117.35 120.32 3ee2 s TYR 4 Ca 0.15 -0.66 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 3ee2 s TYR 4 Cb -0.15 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.27 3ee2 s TYR 4 CO 0.07 -0.20 0.03 0.21 -1.11 0.00 0.00 175.55 174.55 3ee2 s LYS 5 N -0.11 0.49 -0.14 -0.62 2.20 -0.28 -0.91 119.74 120.36 3ee2 s LYS 5 Ca -0.04 -0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.31 3ee2 s LYS 5 Cb -0.13 -1.55 -0.05 0.00 -1.51 0.00 0.00 37.83 34.59 3ee2 s LYS 5 CO 0.03 -0.50 0.31 -1.17 -0.36 0.00 0.00 175.35 173.66 3ee2 s LEU 6 N 1.97 4.27 -0.14 5.43 2.96 0.64 -0.82 118.68 133.00 3ee2 s LEU 6 Ca 0.02 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3ee2 s LEU 6 Cb -0.15 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.15 3ee2 s LEU 6 CO -0.07 0.13 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.01 3ee2 s THR 7 N 0.26 1.88 0.33 3.68 2.01 -0.58 0.24 115.64 123.46 3ee2 s THR 7 Ca 0.18 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 3ee2 s THR 7 Cb -0.13 -1.68 0.05 0.00 0.01 0.00 0.00 72.50 70.74 3ee2 s THR 7 CO 0.05 0.51 0.80 -0.47 -0.69 0.00 0.00 174.62 174.83 3ee2 s TYR 8 N 0.96 0.02 1.02 4.92 5.04 -0.54 -2.14 117.35 126.62 3ee2 s TYR 8 Ca -0.05 -0.60 -0.14 0.00 -2.44 0.00 0.00 57.07 53.85 3ee2 s TYR 8 Cb -0.15 0.78 0.20 0.00 0.35 0.00 0.00 41.96 43.14 3ee2 s TYR 8 CO -0.04 -1.39 1.11 -0.06 -1.34 0.00 0.00 175.55 173.83 3ee2 s PHE 9 N -2.77 1.92 -1.24 4.97 0.40 -1.26 -0.20 117.98 119.81 3ee2 s PHE 9 Ca 0.15 0.84 -0.19 0.00 -0.60 0.00 0.00 56.93 57.13 3ee2 s PHE 9 Cb -0.05 -3.36 0.07 0.00 0.51 0.00 0.00 43.02 40.20 3ee2 s PHE 9 CO 0.09 -2.95 1.66 1.21 0.70 0.00 0.00 175.22 175.93 3ee2 s ASN 10 N -3.71 6.79 -0.06 1.36 2.47 -1.24 -4.59 114.94 115.96 3ee2 s ASN 10 Ca 0.66 -2.29 -0.30 0.00 0.42 0.00 0.00 52.86 51.35 3ee2 s ASN 10 Cb -0.16 -2.56 0.10 0.00 -1.45 0.00 0.00 41.25 37.17 3ee2 s ASN 10 CO 0.56 -1.21 0.82 -0.04 -3.72 0.00 0.00 177.10 173.52 3ee2 s MET 11 N 4.18 0.88 -0.00 0.43 -1.94 -1.26 -4.93 119.30 116.65 3ee2 s MET 11 Ca 0.52 0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 54.49 3ee2 s MET 11 Cb 0.03 0.41 -0.04 0.00 2.01 0.00 0.00 34.83 37.24 3ee2 s MET 11 CO 0.04 -0.30 0.72 0.00 -0.01 0.00 0.00 175.02 175.47 3ee2 h ARG 12 N 2.59 -0.25 0.00 2.03 3.08 -0.50 -3.45 114.38 117.88 3ee2 h ARG 12 Ca -0.24 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ee2 h ARG 12 Cb 1.18 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3ee2 h ARG 12 CO 0.35 -0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.49 3ee2 n GLY 13 N 0.01 2.10 0.08 0.04 0.00 -1.26 -1.93 105.19 104.23 3ee2 n GLY 13 Ca -0.03 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.89 3ee2 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ee2 n ARG 14 N 14.00 0.40 0.11 1.61 1.74 -1.26 -3.37 116.66 129.89 3ee2 n ARG 14 Ca 0.00 -0.15 0.10 0.00 -0.77 0.00 0.00 57.85 57.03 3ee2 n ARG 14 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3ee2 n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ee2 h ALA 15 N 3.35 0.54 -0.62 7.54 0.00 -1.79 -3.40 119.26 124.89 3ee2 h ALA 15 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ee2 h ALA 15 Cb 0.43 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ee2 h ALA 15 CO 0.00 0.08 0.41 1.49 0.00 0.00 0.00 179.25 181.24 3ee2 h GLU 16 N 0.00 0.66 -0.35 0.00 4.57 -1.39 0.23 114.58 118.30 3ee2 h GLU 16 Ca -0.01 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3ee2 h GLU 16 Cb 1.05 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 3ee2 h GLU 16 CO 0.00 0.44 0.02 0.97 -1.18 0.00 0.00 179.01 179.26 3ee2 h ILE 17 N 0.68 1.19 -0.12 2.32 6.09 -1.82 -0.04 117.51 125.82 3ee2 h ILE 17 Ca 0.26 -0.76 -0.16 0.00 -1.37 0.00 0.00 64.86 62.84 3ee2 h ILE 17 Cb 0.16 0.91 0.01 0.00 0.47 0.00 0.00 36.82 38.37 3ee2 h ILE 17 CO -0.07 0.26 -0.54 0.40 -3.07 0.00 0.00 178.15 175.13 3ee2 h ILE 18 N 0.52 1.35 -0.98 2.19 2.04 -1.24 -2.59 117.51 118.80 3ee2 h ILE 18 Ca 0.11 -1.83 0.07 0.00 1.00 0.00 0.00 64.86 64.21 3ee2 h ILE 18 Cb 0.31 2.14 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3ee2 h ILE 18 CO 0.01 0.56 0.63 0.03 0.00 0.00 0.00 178.15 179.37 3ee2 h ARG 19 N 0.20 1.11 -0.46 2.37 3.08 -1.07 -0.91 114.38 118.69 3ee2 h ARG 19 Ca -0.03 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3ee2 h ARG 19 Cb 1.18 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 3ee2 h ARG 19 CO 0.11 0.73 0.19 1.88 -1.07 0.00 0.00 179.97 181.81 3ee2 h TYR 20 N 1.14 0.70 -0.31 3.04 -1.99 -0.89 -1.46 116.97 117.19 3ee2 h TYR 20 Ca 0.42 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 3ee2 h TYR 20 Cb 0.17 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 3ee2 h TYR 20 CO -0.01 0.59 0.16 0.82 -0.00 0.00 0.00 178.16 179.72 3ee2 h ILE 21 N 0.60 1.15 -0.66 -2.88 2.04 -1.11 0.17 117.51 116.82 3ee2 h ILE 21 Ca 0.15 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 3ee2 h ILE 21 Cb 0.18 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3ee2 h ILE 21 CO -0.01 0.15 0.13 -0.26 0.00 0.00 0.00 178.15 178.16 3ee2 h PHE 22 N 0.37 1.12 -0.29 1.37 0.05 -1.06 0.11 116.94 118.61 3ee2 h PHE 22 Ca 0.11 -0.14 0.01 0.00 3.82 0.00 0.00 57.97 61.76 3ee2 h PHE 22 Cb 0.10 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 37.72 3ee2 h PHE 22 CO -0.02 0.93 0.18 0.00 -0.18 0.00 0.00 178.31 179.22 3ee2 h ALA 23 N 1.13 0.37 -0.47 2.45 0.00 -0.84 -0.45 119.26 121.45 3ee2 h ALA 23 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3ee2 h ALA 23 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ee2 h ALA 23 CO 0.01 -0.18 -0.06 -0.92 0.00 0.00 0.00 179.25 178.10 3ee2 h TYR 24 N 0.38 0.96 0.00 0.00 3.20 -0.26 -2.17 116.97 119.07 3ee2 h TYR 24 Ca 0.11 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3ee2 h TYR 24 Cb -0.02 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.00 3ee2 h TYR 24 CO -0.07 0.93 0.00 1.28 -1.64 0.00 0.00 178.16 178.67 3ee2 n LEU 25 N -4.29 0.00 -3.48 2.82 4.77 -0.01 -4.92 117.00 111.88 3ee2 n LEU 25 Ca 0.00 0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 3ee2 n LEU 25 Cb 0.35 -0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 3ee2 n LEU 25 CO 0.43 -0.00 0.14 -0.67 -1.33 0.00 0.00 177.39 175.96 3ee2 n ASP 26 N -1.11 -3.07 -4.41 -1.43 4.64 -0.52 -5.01 116.55 105.65 3ee2 n ASP 26 Ca 0.20 -0.61 -0.33 0.00 -1.38 0.00 0.00 54.79 52.67 3ee2 n ASP 26 Cb 0.16 -5.07 -0.14 0.00 -1.04 0.00 0.00 41.12 35.03 3ee2 n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3ee2 s ILE 27 N -3.36 3.38 0.33 5.18 1.01 -0.29 -5.04 121.20 122.41 3ee2 s ILE 27 Ca 0.14 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 3ee2 s ILE 27 Cb -0.06 -2.46 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 3ee2 s ILE 27 CO 0.73 0.50 1.11 -1.10 0.00 0.00 0.00 174.94 176.18 3ee2 s GLN 28 N 0.49 4.42 0.19 2.79 -1.52 -1.26 -4.65 119.66 120.12 3ee2 s GLN 28 Ca -0.07 1.76 -0.17 0.00 -1.95 0.00 0.00 55.36 54.93 3ee2 s GLN 28 Cb -0.15 -2.94 0.03 0.00 -0.22 0.00 0.00 33.01 29.72 3ee2 s GLN 28 CO 0.04 0.02 0.50 1.52 -0.25 0.00 0.00 175.29 177.12 3ee2 s TYR 29 N -1.32 -0.08 -0.25 0.91 -0.85 -1.26 -4.63 117.35 109.86 3ee2 s TYR 29 Ca 0.50 -0.26 -0.17 0.00 -0.52 0.00 0.00 57.07 56.62 3ee2 s TYR 29 Cb -0.30 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 3ee2 s TYR 29 CO 0.38 -0.90 0.48 -2.00 -1.52 0.00 0.00 175.55 171.99 3ee2 s GLU 30 N -3.88 4.08 -1.00 -3.49 2.12 -0.09 -4.98 118.70 111.45 3ee2 s GLU 30 Ca 0.10 0.27 -0.16 0.00 0.36 0.00 0.00 54.97 55.54 3ee2 s GLU 30 Cb -0.01 -3.63 0.17 0.00 0.26 0.00 0.00 34.13 30.92 3ee2 s GLU 30 CO -0.03 -0.29 1.15 0.34 -0.54 0.00 0.00 175.26 175.89 3ee2 s ASP 31 N 1.48 6.83 -0.37 -1.70 3.68 -1.26 -0.26 116.67 125.07 3ee2 s ASP 31 Ca 0.20 -2.53 -0.19 0.00 2.13 0.00 0.00 52.55 52.16 3ee2 s ASP 31 Cb -0.16 -2.35 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 3ee2 s ASP 31 CO 0.09 -0.84 0.57 -2.28 0.13 0.00 0.00 175.17 172.84 3ee2 s HIS 32 N 1.66 3.15 -0.26 -5.34 5.65 0.14 -5.00 115.29 115.29 3ee2 s HIS 32 Ca 0.33 0.17 -0.05 0.00 0.25 0.00 0.00 55.06 55.75 3ee2 s HIS 32 Cb -0.05 -3.05 -0.00 0.00 -1.18 0.00 0.00 32.58 28.29 3ee2 s HIS 32 CO -0.07 -0.62 0.02 1.03 -0.65 0.00 0.00 174.74 174.45 3ee2 s ARG 33 N 2.54 3.26 0.19 2.88 0.52 -1.25 -1.47 118.95 125.61 3ee2 s ARG 33 Ca 0.21 -0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 54.63 3ee2 s ARG 33 Cb -0.15 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 3ee2 s ARG 33 CO 0.15 -0.32 0.45 0.96 0.02 0.00 0.00 175.30 176.56 3ee2 s ILE 34 N 1.49 5.09 0.38 1.52 -4.36 0.72 -4.79 121.20 121.25 3ee2 s ILE 34 Ca 0.04 0.14 0.02 0.00 -0.26 0.00 0.00 60.65 60.59 3ee2 s ILE 34 Cb -0.16 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 39.90 3ee2 s ILE 34 CO 0.00 -0.05 0.56 -1.61 0.24 0.00 0.00 174.94 174.09 3ee2 s GLU 35 N -2.84 3.22 0.41 0.37 8.01 -1.26 -3.61 118.70 123.00 3ee2 s GLU 35 Ca 0.43 -0.59 0.17 0.00 0.01 0.00 0.00 54.97 54.99 3ee2 s GLU 35 Cb -0.12 -2.68 1.06 0.00 -4.31 0.00 0.00 34.13 28.09 3ee2 s GLU 35 CO 0.24 -0.02 1.85 0.37 0.01 0.00 0.00 175.26 177.72 3ee2 h GLN 36 N 0.67 0.42 -0.78 1.61 5.75 -2.00 -1.47 115.11 119.30 3ee2 h GLN 36 Ca -0.48 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.14 3ee2 h GLN 36 Cb 1.24 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.64 3ee2 h GLN 36 CO 0.58 0.28 0.52 0.00 -2.65 0.00 0.00 178.83 177.55 3ee2 h ALA 37 N 1.61 2.03 -0.00 3.38 0.00 -2.05 -1.56 119.26 122.67 3ee2 h ALA 37 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3ee2 h ALA 37 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ee2 h ALA 37 CO -0.19 -0.24 -0.66 -0.25 0.00 0.00 0.00 179.25 177.92 3ee2 n ASP 38 N -4.50 0.95 0.08 0.00 8.00 -0.56 -4.52 116.55 116.00 3ee2 n ASP 38 Ca 0.15 -0.77 -0.13 0.00 0.71 0.00 0.00 54.79 54.75 3ee2 n ASP 38 Cb 0.50 0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 42.07 3ee2 n ASP 38 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3ee2 h TRP 39 N 0.45 -0.20 -1.00 1.24 -0.00 -1.28 -3.09 115.95 112.07 3ee2 h TRP 39 Ca 0.00 -0.00 0.22 0.00 -0.00 0.00 0.00 58.89 59.11 3ee2 h TRP 39 Cb 0.53 0.07 -0.10 0.00 -0.00 0.00 0.00 29.16 29.65 3ee2 h TRP 39 CO 0.00 0.14 0.62 -1.35 -0.00 0.00 0.00 178.44 177.85 3ee2 h PRO 40 N -0.57 0.57 -0.21 2.65 0.11 -1.79 0.34 132.00 133.09 3ee2 h PRO 40 Ca -0.02 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.89 3ee2 h PRO 40 Cb 0.43 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3ee2 h PRO 40 CO 0.04 0.38 -0.55 1.49 -0.21 0.00 0.00 178.00 179.14 3ee2 h GLU 41 N 0.58 0.64 0.10 1.05 4.81 -1.86 -2.95 114.58 116.95 3ee2 h GLU 41 Ca 0.59 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3ee2 h GLU 41 Cb 1.17 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3ee2 h GLU 41 CO -0.36 1.02 -0.05 0.82 -0.73 0.00 0.00 179.01 179.71 3ee2 h ILE 42 N 0.49 1.11 -0.78 2.32 2.04 -1.24 -3.27 117.51 118.19 3ee2 h ILE 42 Ca 0.01 -1.00 0.15 0.00 1.00 0.00 0.00 64.86 65.03 3ee2 h ILE 42 Cb 1.11 1.73 -0.15 0.00 -0.74 0.00 0.00 36.82 38.77 3ee2 h ILE 42 CO 0.11 0.23 -0.20 1.17 0.00 0.00 0.00 178.15 179.46 3ee2 n LYS 43 N -4.94 -0.08 0.00 2.37 4.81 0.02 -0.45 118.16 119.89 3ee2 n LYS 43 Ca -0.09 1.22 0.07 0.00 -0.87 0.00 0.00 58.31 58.64 3ee2 n LYS 43 Cb 0.25 -1.82 0.36 0.00 0.02 0.00 0.00 35.03 33.84 3ee2 n LYS 43 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3ee2 n SER 44 N -5.26 0.00 -0.23 3.14 3.41 -1.12 -1.45 113.62 112.12 3ee2 n SER 44 Ca 0.12 0.09 0.08 0.00 -0.26 0.00 0.00 58.87 58.91 3ee2 n SER 44 Cb 0.39 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3ee2 n SER 44 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ee2 n THR 45 N -1.29 0.00 -3.31 6.66 -2.24 0.40 -4.90 114.28 109.59 3ee2 n THR 45 Ca 0.07 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 3ee2 n THR 45 Cb 0.12 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.40 3ee2 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ee2 s LEU 46 N -2.42 4.21 0.52 3.22 1.43 -0.53 -4.96 118.68 120.14 3ee2 s LEU 46 Ca 0.11 0.70 0.28 0.00 -1.03 0.00 0.00 54.13 54.19 3ee2 s LEU 46 Cb 0.14 -2.66 1.40 0.00 0.03 0.00 0.00 46.19 45.10 3ee2 s LEU 46 CO 0.55 -0.07 1.90 -0.65 0.23 0.00 0.00 176.35 178.31 3ee2 h PRO 47 N 7.10 0.07 -0.20 1.29 0.11 -1.91 -2.36 132.00 136.09 3ee2 h PRO 47 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3ee2 h PRO 47 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ee2 h PRO 47 CO 0.74 0.05 0.00 1.19 -0.21 0.00 0.00 178.00 179.77 3ee2 n PHE 48 N -4.33 0.27 -1.70 0.65 3.01 -1.26 -5.02 117.46 109.09 3ee2 n PHE 48 Ca 0.17 -0.48 -0.19 0.00 1.01 0.00 0.00 57.45 57.96 3ee2 n PHE 48 Cb 0.86 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 40.22 3ee2 n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ee2 n GLY 49 N 0.13 1.46 3.24 1.37 0.00 -0.89 -4.99 105.19 105.52 3ee2 n GLY 49 Ca 0.07 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3ee2 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ee2 s LYS 50 N -3.85 1.07 0.28 1.61 -0.14 -1.26 -4.92 119.74 112.53 3ee2 s LYS 50 Ca 0.00 -1.05 0.12 0.00 -1.36 0.00 0.00 55.97 53.68 3ee2 s LYS 50 Cb 0.00 -1.24 -0.05 0.00 -1.68 0.00 0.00 37.83 34.86 3ee2 s LYS 50 CO 0.00 0.29 -0.19 0.96 -0.76 0.00 0.00 175.35 175.65 3ee2 s ILE 51 N -1.11 2.52 0.60 2.17 -4.36 -1.26 -4.57 121.20 115.19 3ee2 s ILE 51 Ca 0.04 -2.38 -0.18 0.00 -0.26 0.00 0.00 60.65 57.87 3ee2 s ILE 51 Cb -0.10 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 3ee2 s ILE 51 CO 0.03 -0.40 1.16 -2.16 0.24 0.00 0.00 174.94 173.82 3ee2 s PRO 52 N -3.51 3.01 0.29 0.37 0.04 -1.26 -4.98 135.00 128.96 3ee2 s PRO 52 Ca 0.30 1.67 0.11 0.00 0.04 0.00 0.00 61.00 63.12 3ee2 s PRO 52 Cb -0.05 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3ee2 s PRO 52 CO 0.15 -1.14 -0.17 0.96 0.04 0.00 0.00 177.00 176.85 3ee2 s ILE 53 N -1.82 2.55 -0.07 0.56 -4.36 -0.91 -3.72 121.20 113.43 3ee2 s ILE 53 Ca 0.74 -2.34 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 3ee2 s ILE 53 Cb -0.26 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.09 3ee2 s ILE 53 CO 0.33 -0.38 0.03 -0.22 0.24 0.00 0.00 174.94 174.95 3ee2 s LEU 54 N -3.54 0.42 -0.13 0.37 2.96 -0.42 -1.52 118.68 116.83 3ee2 s LEU 54 Ca 0.30 -0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.97 3ee2 s LEU 54 Cb -0.04 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 3ee2 s LEU 54 CO 0.16 -0.23 0.46 -1.61 -1.32 0.00 0.00 176.35 173.81 3ee2 s GLU 55 N 2.05 4.32 -0.27 1.98 2.02 0.00 -0.99 118.70 127.82 3ee2 s GLU 55 Ca 0.05 0.41 0.01 0.00 0.02 0.00 0.00 54.97 55.46 3ee2 s GLU 55 Cb -0.12 -3.44 0.08 0.00 0.10 0.00 0.00 34.13 30.74 3ee2 s GLU 55 CO -0.05 0.15 -0.01 0.08 0.02 0.00 0.00 175.26 175.46 3ee2 s VAL 56 N 0.66 1.64 -1.51 2.63 1.01 0.73 -1.13 120.40 124.43 3ee2 s VAL 56 Ca 0.25 -1.53 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 3ee2 s VAL 56 Cb -0.15 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 34.29 3ee2 s VAL 56 CO 0.09 -0.30 0.69 0.47 0.00 0.00 0.00 175.10 176.05 3ee2 n ASP 57 N 4.59 -2.31 0.00 3.32 10.43 -0.30 -1.05 116.55 131.23 3ee2 n ASP 57 Ca -0.07 -0.93 0.00 0.00 2.57 0.00 0.00 54.79 56.36 3ee2 n ASP 57 Cb 0.43 -3.29 0.00 0.00 1.84 0.00 0.00 41.12 40.10 3ee2 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ee2 n GLY 58 N -1.70 1.29 3.79 0.44 0.00 -1.26 -5.03 105.19 102.72 3ee2 n GLY 58 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3ee2 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ee2 s LEU 59 N 0.00 4.14 -0.18 0.99 1.43 -0.21 -5.08 118.68 119.77 3ee2 s LEU 59 Ca 0.00 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3ee2 s LEU 59 Cb 0.00 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 3ee2 s LEU 59 CO 0.00 0.35 0.18 -0.89 0.23 0.00 0.00 176.35 176.22 3ee2 s THR 60 N -0.67 5.38 0.15 5.49 2.01 -1.26 -0.19 115.64 126.56 3ee2 s THR 60 Ca 0.12 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.50 3ee2 s THR 60 Cb -0.12 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3ee2 s THR 60 CO 0.02 0.44 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.57 3ee2 s LEU 61 N 0.29 3.13 0.27 4.42 1.43 -0.16 -4.98 118.68 123.08 3ee2 s LEU 61 Ca 0.11 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3ee2 s LEU 61 Cb -0.12 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3ee2 s LEU 61 CO 0.00 0.12 0.20 -1.38 0.23 0.00 0.00 176.35 175.52 3ee2 s HIS 62 N -1.57 1.49 -0.02 0.29 -3.43 -1.26 -1.30 115.29 109.49 3ee2 s HIS 62 Ca 0.25 -1.51 -0.02 0.00 -0.80 0.00 0.00 55.06 52.98 3ee2 s HIS 62 Cb -0.10 -0.67 0.01 0.00 -1.43 0.00 0.00 32.58 30.39 3ee2 s HIS 62 CO 0.16 -0.73 0.03 1.04 -2.00 0.00 0.00 174.74 173.25 3ee2 n GLN 63 N -0.47 -1.80 -0.37 -0.38 1.13 -1.24 -4.36 117.38 109.89 3ee2 n GLN 63 Ca 0.04 1.64 0.05 0.00 -1.94 0.00 0.00 57.00 56.80 3ee2 n GLN 63 Cb 0.64 -2.19 0.21 0.00 0.11 0.00 0.00 30.24 29.01 3ee2 n GLN 63 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3ee2 h SER 64 N 1.51 0.98 0.84 1.08 4.64 -1.85 0.70 113.55 121.45 3ee2 h SER 64 Ca -0.08 0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.04 3ee2 h SER 64 Cb 0.18 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ee2 h SER 64 CO 0.00 0.57 -1.14 -0.07 -0.87 0.00 0.00 176.83 175.32 3ee2 h LEU 65 N 1.08 0.12 -0.37 5.97 3.38 -1.90 -0.48 115.31 123.11 3ee2 h LEU 65 Ca 0.47 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.35 3ee2 h LEU 65 Cb 0.35 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3ee2 h LEU 65 CO -0.22 1.11 0.13 0.00 0.09 0.00 0.00 178.44 179.54 3ee2 h ALA 66 N 0.87 0.43 -0.23 1.53 0.00 -1.68 -0.46 119.26 119.73 3ee2 h ALA 66 Ca -0.07 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ee2 h ALA 66 Cb 1.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3ee2 h ALA 66 CO 0.14 -0.26 -0.01 0.82 0.00 0.00 0.00 179.25 179.95 3ee2 h ILE 67 N 0.28 1.26 -0.87 0.00 2.04 -0.72 -1.18 117.51 118.32 3ee2 h ILE 67 Ca 0.17 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3ee2 h ILE 67 Cb 0.14 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 3ee2 h ILE 67 CO -0.17 0.28 0.58 0.00 0.00 0.00 0.00 178.15 178.83 3ee2 h ALA 68 N 0.79 1.42 -0.15 1.87 0.00 -1.00 -0.76 119.26 121.44 3ee2 h ALA 68 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3ee2 h ALA 68 Cb 0.42 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ee2 h ALA 68 CO 0.01 0.51 -0.53 -0.09 0.00 0.00 0.00 179.25 179.15 3ee2 h ARG 69 N 1.13 0.43 -0.34 0.00 2.43 -0.73 -2.50 114.38 114.80 3ee2 h ARG 69 Ca 0.34 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3ee2 h ARG 69 Cb -0.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3ee2 h ARG 69 CO -0.09 0.86 0.15 -0.92 -1.51 0.00 0.00 179.97 178.45 3ee2 h TYR 70 N 0.33 0.50 0.00 2.20 3.20 -0.58 -2.42 116.97 120.21 3ee2 h TYR 70 Ca 0.01 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3ee2 h TYR 70 Cb 1.05 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 3ee2 h TYR 70 CO 0.03 0.46 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.83 3ee2 h LEU 71 N 0.40 0.00 -0.25 2.82 3.38 -0.96 -3.13 115.31 117.57 3ee2 h LEU 71 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ee2 h LEU 71 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ee2 h LEU 71 CO -0.01 0.11 -0.85 0.35 0.09 0.00 0.00 178.44 178.14 3ee2 n THR 72 N -3.30 0.00 -1.72 0.22 -2.24 -0.96 -4.87 114.28 101.40 3ee2 n THR 72 Ca -0.00 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 3ee2 n THR 72 Cb 0.33 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 3ee2 n THR 72 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ee2 n LYS 73 N -1.13 2.44 -2.25 -0.78 4.81 -0.92 -1.62 118.16 118.70 3ee2 n LYS 73 Ca 0.05 0.87 -0.19 0.00 -0.87 0.00 0.00 58.31 58.17 3ee2 n LYS 73 Cb 0.36 -2.59 -0.02 0.00 0.02 0.00 0.00 35.03 32.81 3ee2 n LYS 73 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ee2 n ASN 74 N 1.91 -5.54 -4.53 3.14 3.02 -1.26 -5.02 115.26 106.98 3ee2 n ASN 74 Ca 0.09 0.05 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 3ee2 n ASN 74 Cb 0.35 -4.61 -0.11 0.00 -0.61 0.00 0.00 39.78 34.81 3ee2 n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ee2 s THR 75 N -2.93 1.57 0.61 3.41 -4.23 -0.64 -5.02 115.64 108.42 3ee2 s THR 75 Ca 0.00 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 58.93 3ee2 s THR 75 Cb 0.00 -2.89 0.43 0.00 1.34 0.00 0.00 72.50 71.38 3ee2 s THR 75 CO 0.00 0.00 2.33 -2.24 -0.54 0.00 0.00 174.62 174.17 3ee2 h ASP 76 N 1.94 0.00 0.99 3.99 2.03 -1.95 -2.92 116.42 120.49 3ee2 h ASP 76 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 3ee2 h ASP 76 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3ee2 h ASP 76 CO 0.75 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.89 3ee2 h LEU 77 N 0.00 0.00 -0.56 0.15 3.38 -1.80 -3.32 115.31 113.15 3ee2 h LEU 77 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3ee2 h LEU 77 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ee2 h LEU 77 CO 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.25 3ee2 h ALA 78 N 2.11 0.89 0.00 1.53 0.00 -1.60 -2.63 119.26 119.57 3ee2 h ALA 78 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ee2 h ALA 78 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ee2 h ALA 78 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.02 3ee2 n GLY 79 N 0.67 2.22 0.00 0.00 0.00 -1.25 -4.28 105.19 102.55 3ee2 n GLY 79 Ca 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3ee2 n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ee2 n ASN 80 N 0.00 0.00 -4.67 1.61 3.02 -1.26 -4.66 115.26 109.30 3ee2 n ASN 80 Ca 0.00 0.35 -0.29 0.00 -0.03 0.00 0.00 54.58 54.60 3ee2 n ASN 80 Cb 0.00 -0.37 0.13 0.00 -0.61 0.00 0.00 39.78 38.93 3ee2 n ASN 80 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ee2 s THR 81 N -0.74 1.98 0.25 3.41 -4.23 -1.26 -4.87 115.64 110.19 3ee2 s THR 81 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 3ee2 s THR 81 Cb 0.00 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 71.10 3ee2 s THR 81 CO 0.00 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.53 3ee2 h GLU 82 N -1.41 0.92 -0.53 3.99 3.07 -2.00 -1.95 114.58 116.67 3ee2 h GLU 82 Ca -0.47 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.08 3ee2 h GLU 82 Cb 1.31 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 3ee2 h GLU 82 CO 0.58 0.83 -0.05 0.52 -1.40 0.00 0.00 179.01 179.50 3ee2 h MET 83 N 0.88 0.94 -0.30 2.33 2.86 -2.00 -2.52 114.93 117.12 3ee2 h MET 83 Ca 0.19 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 3ee2 h MET 83 Cb 0.34 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3ee2 h MET 83 CO 0.00 0.96 -0.19 0.93 1.06 0.00 0.00 176.91 179.67 3ee2 h GLU 84 N 0.85 0.55 -0.71 1.72 5.08 -1.85 -1.58 114.58 118.65 3ee2 h GLU 84 Ca 0.15 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ee2 h GLU 84 Cb 0.57 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3ee2 h GLU 84 CO 0.03 0.72 0.47 1.96 -1.00 0.00 0.00 179.01 181.19 3ee2 h GLN 85 N 0.50 0.94 -0.62 2.33 4.20 -1.21 -0.36 115.11 120.88 3ee2 h GLN 85 Ca 0.08 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.76 3ee2 h GLN 85 Cb 0.61 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 3ee2 h GLN 85 CO 0.04 0.62 0.38 0.00 -0.67 0.00 0.00 178.83 179.20 3ee2 h HIS 87 N 0.74 0.57 -0.07 0.00 3.86 -0.82 0.14 115.15 119.58 3ee2 h HIS 87 Ca 0.25 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3ee2 h HIS 87 Cb 0.03 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3ee2 h HIS 87 CO -0.05 0.86 0.03 0.28 0.86 0.00 0.00 177.93 179.91 3ee2 h VAL 88 N 0.38 1.11 -0.88 2.45 2.07 -0.59 -1.37 116.25 119.42 3ee2 h VAL 88 Ca 0.02 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3ee2 h VAL 88 Cb 0.98 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3ee2 h VAL 88 CO 0.09 0.09 0.57 0.44 0.02 0.00 0.00 177.57 178.78 3ee2 h ASP 89 N -0.01 0.93 -0.37 0.57 3.32 -0.74 -1.37 116.42 118.75 3ee2 h ASP 89 Ca 0.02 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3ee2 h ASP 89 Cb 0.12 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3ee2 h ASP 89 CO -0.00 0.63 0.02 0.00 -1.72 0.00 0.00 179.24 178.17 3ee2 h ALA 90 N 1.37 0.50 -0.27 3.45 0.00 -0.47 0.14 119.26 123.98 3ee2 h ALA 90 Ca 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ee2 h ALA 90 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ee2 h ALA 90 CO -0.13 0.25 0.03 0.82 0.00 0.00 0.00 179.25 180.23 3ee2 h ILE 91 N 0.47 1.24 -0.22 0.00 1.08 -1.15 0.15 117.51 119.08 3ee2 h ILE 91 Ca 0.11 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 3ee2 h ILE 91 Cb 0.44 1.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 3ee2 h ILE 91 CO 0.02 0.26 -0.11 0.58 -0.69 0.00 0.00 178.15 178.21 3ee2 h VAL 92 N 0.25 0.66 -0.98 1.67 2.07 -1.16 -0.87 116.25 117.90 3ee2 h VAL 92 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3ee2 h VAL 92 Cb 0.35 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3ee2 h VAL 92 CO 0.01 0.00 0.64 0.44 0.02 0.00 0.00 177.57 178.68 3ee2 h ASP 93 N -0.08 1.13 -0.16 0.57 3.45 -0.82 0.50 116.42 121.01 3ee2 h ASP 93 Ca 0.12 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 3ee2 h ASP 93 Cb 0.26 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3ee2 h ASP 93 CO -0.27 0.82 0.10 0.74 -1.57 0.00 0.00 179.24 179.05 3ee2 h THR 94 N 1.33 1.08 -0.40 0.35 2.02 -0.18 0.12 112.91 117.22 3ee2 h THR 94 Ca 0.36 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3ee2 h THR 94 Cb -0.15 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3ee2 h THR 94 CO -0.08 0.07 0.20 -0.07 0.37 0.00 0.00 175.52 176.02 3ee2 h LEU 95 N 0.18 0.53 -0.62 2.58 3.38 -0.89 -2.85 115.31 117.62 3ee2 h LEU 95 Ca 0.06 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3ee2 h LEU 95 Cb 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ee2 h LEU 95 CO -0.01 0.50 0.12 -0.78 0.09 0.00 0.00 178.44 178.36 3ee2 h ASP 96 N 0.52 0.96 -0.90 -0.43 3.58 -0.63 -1.38 116.42 118.13 3ee2 h ASP 96 Ca 0.14 -0.25 0.06 0.00 0.42 0.00 0.00 57.03 57.40 3ee2 h ASP 96 Cb 0.11 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 40.84 3ee2 h ASP 96 CO -0.02 0.96 0.57 0.44 -2.88 0.00 0.00 179.24 178.31 3ee2 h ASP 97 N 0.91 0.90 -0.15 2.28 3.45 -0.75 0.46 116.42 123.52 3ee2 h ASP 97 Ca 0.19 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.60 3ee2 h ASP 97 Cb 0.39 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3ee2 h ASP 97 CO 0.01 0.57 -0.17 0.15 -1.57 0.00 0.00 179.24 178.23 3ee2 h PHE 98 N 1.03 0.46 -0.42 4.55 3.57 -1.19 -2.91 116.94 122.04 3ee2 h PHE 98 Ca 0.39 -0.14 0.09 0.00 3.53 0.00 0.00 57.97 61.83 3ee2 h PHE 98 Cb 0.17 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3ee2 h PHE 98 CO -0.02 0.78 0.29 0.52 -2.23 0.00 0.00 178.31 177.65 3ee2 h MET 99 N 0.01 0.18 0.00 1.11 2.86 -0.94 -1.52 114.93 116.63 3ee2 h MET 99 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3ee2 h MET 99 Cb 0.71 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3ee2 h MET 99 CO 0.04 0.12 0.00 0.77 1.06 0.00 0.00 176.91 178.90 3ee2 h SER 100 N 0.19 0.00 0.98 1.22 0.02 -0.71 -2.99 113.55 112.27 3ee2 h SER 100 Ca 0.19 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3ee2 h SER 100 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3ee2 h SER 100 CO -0.03 0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 175.51 3ee2 s PHE 102 N -3.65 3.62 -1.49 0.00 0.40 -1.13 -4.91 117.98 110.82 3ee2 s PHE 102 Ca 0.01 1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 57.83 3ee2 s PHE 102 Cb 0.10 -3.24 -0.02 0.00 0.51 0.00 0.00 43.02 40.36 3ee2 s PHE 102 CO 0.61 -0.50 2.51 -0.35 0.70 0.00 0.00 175.22 178.19 3ee2 n PRO 103 N 2.55 3.13 -0.34 0.24 -0.04 -1.26 -4.73 135.00 134.56 3ee2 n PRO 103 Ca 0.03 -2.39 0.14 0.00 -0.04 0.00 0.00 63.50 61.24 3ee2 n PRO 103 Cb 0.47 -3.06 0.33 0.00 -0.04 0.00 0.00 33.50 31.19 3ee2 n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ee2 h TRP 104 N 5.67 0.96 0.00 0.54 4.06 -1.93 -1.19 115.95 124.05 3ee2 h TRP 104 Ca 0.69 0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.67 3ee2 h TRP 104 Cb 0.49 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 3ee2 h TRP 104 CO 1.64 0.14 -0.10 0.00 -3.56 0.00 0.00 178.44 176.56 3ee2 h ALA 105 N 1.67 0.94 -2.01 1.49 0.00 -2.03 -3.47 119.26 115.85 3ee2 h ALA 105 Ca 0.59 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.87 3ee2 h ALA 105 Cb 1.00 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.83 3ee2 h ALA 105 CO -0.43 0.00 0.85 -1.91 0.00 0.00 0.00 179.25 177.76 3ee2 n GLU 106 N -2.41 1.88 0.01 0.00 4.07 -0.45 -4.88 120.64 118.87 3ee2 n GLU 106 Ca 0.05 0.68 0.04 0.00 -0.06 0.00 0.00 57.16 57.88 3ee2 n GLU 106 Cb 0.45 -2.45 -0.10 0.00 -0.06 0.00 0.00 31.44 29.28 3ee2 n GLU 106 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3ee2 n LYS 107 N 4.56 0.64 -2.61 5.31 4.76 -1.26 -4.69 118.16 124.86 3ee2 n LYS 107 Ca 0.20 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.26 3ee2 n LYS 107 Cb 0.26 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 3ee2 n LYS 107 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3ee2 s LYS 108 N -3.13 3.38 0.46 1.97 0.00 -1.26 -4.86 119.74 116.30 3ee2 s LYS 108 Ca -0.05 0.00 0.26 0.00 0.00 0.00 0.00 55.97 56.18 3ee2 s LYS 108 Cb 0.10 -4.08 0.64 0.00 0.00 0.00 0.00 37.83 34.50 3ee2 s LYS 108 CO 0.84 -1.80 1.72 -0.56 0.00 0.00 0.00 175.35 175.54 3ee2 h GLN 109 N 9.66 0.00 -0.30 1.78 -0.00 -1.98 0.00 115.11 124.27 3ee2 h GLN 109 Ca -0.26 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.30 3ee2 h GLN 109 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.53 3ee2 h GLN 109 CO 1.20 0.04 -0.17 0.38 -0.00 0.00 0.00 178.83 180.28 3ee2 h ASP 110 N 0.00 0.67 -0.56 0.06 -0.00 -1.98 0.29 116.42 114.89 3ee2 h ASP 110 Ca -0.00 -0.42 -0.11 0.00 -0.00 0.00 0.00 57.03 56.50 3ee2 h ASP 110 Cb 0.87 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 40.00 3ee2 h ASP 110 CO 0.00 0.95 -0.07 0.58 -0.00 0.00 0.00 179.24 180.70 3ee2 h VAL 111 N 0.40 1.27 0.01 4.15 2.07 -1.91 -2.52 116.25 119.70 3ee2 h VAL 111 Ca 0.06 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.38 3ee2 h VAL 111 Cb 0.71 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3ee2 h VAL 111 CO 0.05 0.44 -0.22 0.50 0.02 0.00 0.00 177.57 178.36 3ee2 h LYS 112 N 0.94 -0.33 -0.49 1.57 1.63 -0.82 -2.29 116.57 116.77 3ee2 h LYS 112 Ca 0.15 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 3ee2 h LYS 112 Cb 0.64 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 3ee2 h LYS 112 CO 0.04 -0.22 0.14 1.49 -3.45 0.00 0.00 179.45 177.45 3ee2 h GLU 113 N -0.35 0.78 -0.41 1.90 4.81 -0.47 -0.96 114.58 119.88 3ee2 h GLU 113 Ca 0.06 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3ee2 h GLU 113 Cb 0.42 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3ee2 h GLU 113 CO -0.19 0.74 0.17 0.37 -0.73 0.00 0.00 179.01 179.36 3ee2 h GLN 114 N 0.67 0.33 0.42 1.92 5.75 -1.42 -1.33 115.11 121.45 3ee2 h GLN 114 Ca 0.16 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3ee2 h GLN 114 Cb 0.30 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3ee2 h GLN 114 CO -0.00 0.22 -0.20 0.52 -2.65 0.00 0.00 178.83 176.72 3ee2 h MET 115 N 0.34 -0.55 -0.63 1.69 2.86 -1.03 0.46 114.93 118.07 3ee2 h MET 115 Ca 0.18 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.99 3ee2 h MET 115 Cb 0.14 0.12 -0.12 0.00 0.06 0.00 0.00 31.60 31.81 3ee2 h MET 115 CO -0.17 -0.34 -0.17 0.74 1.06 0.00 0.00 176.91 178.03 3ee2 h PHE 116 N -0.60 -0.37 -0.25 -0.22 -1.00 -1.14 -0.86 116.94 112.48 3ee2 h PHE 116 Ca -0.06 0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 3ee2 h PHE 116 Cb 0.46 0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 3ee2 h PHE 116 CO -0.04 -0.28 0.04 -0.91 -1.61 0.00 0.00 178.31 175.51 3ee2 h ASN 117 N -0.01 0.40 -0.25 2.17 2.35 -0.80 -0.35 115.58 119.09 3ee2 h ASN 117 Ca 0.30 -0.26 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3ee2 h ASN 117 Cb 0.47 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 3ee2 h ASN 117 CO -0.66 0.56 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.20 3ee2 h GLU 118 N 0.23 -0.12 -0.84 0.81 5.08 -0.65 0.14 114.58 119.23 3ee2 h GLU 118 Ca 0.08 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3ee2 h GLU 118 Cb 0.32 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3ee2 h GLU 118 CO 0.00 -0.08 0.53 -0.07 -1.00 0.00 0.00 179.01 178.39 3ee2 h LEU 119 N -0.13 0.85 -0.33 1.33 3.38 -0.91 0.29 115.31 119.79 3ee2 h LEU 119 Ca 0.14 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 3ee2 h LEU 119 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3ee2 h LEU 119 CO -0.33 0.56 -0.85 -0.07 0.09 0.00 0.00 178.44 177.84 3ee2 h LEU 120 N 0.99 0.20 0.07 1.67 3.38 -0.60 0.14 115.31 121.16 3ee2 h LEU 120 Ca 0.36 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 3ee2 h LEU 120 Cb 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ee2 h LEU 120 CO -0.15 0.95 -1.13 0.74 0.09 0.00 0.00 178.44 178.94 3ee2 h THR 121 N 0.09 1.15 0.00 0.22 2.02 -0.59 -3.36 112.91 112.44 3ee2 h THR 121 Ca -0.03 -2.35 -0.22 0.00 0.77 0.00 0.00 66.41 64.57 3ee2 h THR 121 Cb 1.46 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 70.58 3ee2 h THR 121 CO 0.12 0.61 -1.50 1.88 0.37 0.00 0.00 175.52 177.00 3ee2 h TYR 122 N -0.56 0.00 0.00 3.16 0.05 -0.56 -3.42 116.97 115.64 3ee2 h TYR 122 Ca -0.26 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.40 3ee2 h TYR 122 Cb 1.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.26 3ee2 h TYR 122 CO 0.15 0.79 -1.22 0.09 -1.05 0.00 0.00 178.16 176.91 3ee2 n ASN 123 N -2.99 0.88 -0.20 3.88 4.13 -0.84 -4.72 115.26 115.40 3ee2 n ASN 123 Ca -0.12 0.14 0.01 0.00 1.68 0.00 0.00 54.58 56.29 3ee2 n ASN 123 Cb 0.94 -0.34 0.10 0.00 -1.54 0.00 0.00 39.78 38.94 3ee2 n ASN 123 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ee2 h ALA 124 N -0.35 0.63 -0.23 5.41 0.00 -1.13 -2.29 119.26 121.30 3ee2 h ALA 124 Ca -0.18 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ee2 h ALA 124 Cb 0.98 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ee2 h ALA 124 CO -0.11 -0.37 0.11 -1.35 0.00 0.00 0.00 179.25 177.53 3ee2 h PRO 125 N 0.16 0.31 -0.25 0.00 0.11 -1.81 0.41 132.00 130.93 3ee2 h PRO 125 Ca 0.32 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.41 3ee2 h PRO 125 Cb 0.50 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3ee2 h PRO 125 CO -0.48 0.25 0.13 0.45 -0.21 0.00 0.00 178.00 178.14 3ee2 h HIS 126 N 0.32 0.24 -0.39 0.65 3.86 -1.70 -0.84 115.15 117.28 3ee2 h HIS 126 Ca 0.08 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3ee2 h HIS 126 Cb 0.04 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3ee2 h HIS 126 CO 0.00 0.14 0.09 1.25 0.86 0.00 0.00 177.93 180.27 3ee2 h LEU 127 N 0.27 0.60 -0.40 2.43 5.85 -1.24 -0.86 115.31 121.97 3ee2 h LEU 127 Ca 0.10 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3ee2 h LEU 127 Cb 0.02 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3ee2 h LEU 127 CO -0.06 0.68 0.09 0.24 -0.34 0.00 0.00 178.44 179.05 3ee2 h MET 128 N 0.49 0.21 -0.45 1.25 2.86 -0.86 0.11 114.93 118.55 3ee2 h MET 128 Ca 0.12 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3ee2 h MET 128 Cb 0.32 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3ee2 h MET 128 CO 0.00 0.14 0.22 0.37 1.06 0.00 0.00 176.91 178.70 3ee2 h GLN 129 N 0.22 0.43 -0.78 1.72 5.75 -0.78 -0.99 115.11 120.68 3ee2 h GLN 129 Ca 0.19 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3ee2 h GLN 129 Cb 0.22 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3ee2 h GLN 129 CO -0.25 0.29 0.42 -0.44 -2.65 0.00 0.00 178.83 176.20 3ee2 h ASP 130 N 0.44 0.99 -0.23 -0.69 3.32 -0.82 -0.66 116.42 118.78 3ee2 h ASP 130 Ca 0.20 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3ee2 h ASP 130 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3ee2 h ASP 130 CO -0.14 0.81 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.82 3ee2 h LEU 131 N 1.09 0.76 -0.21 1.55 3.38 -0.56 -0.17 115.31 121.15 3ee2 h LEU 131 Ca 0.27 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3ee2 h LEU 131 Cb 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3ee2 h LEU 131 CO -0.04 1.01 -0.24 -0.78 0.09 0.00 0.00 178.44 178.48 3ee2 h ASP 132 N 0.63 0.57 -0.53 -0.43 -0.00 -0.94 0.36 116.42 116.07 3ee2 h ASP 132 Ca 0.07 -0.49 -0.05 0.00 -0.00 0.00 0.00 57.03 56.56 3ee2 h ASP 132 Cb 0.82 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 39.97 3ee2 h ASP 132 CO 0.07 0.94 0.14 0.74 -0.00 0.00 0.00 179.24 181.13 3ee2 h THR 133 N 0.20 1.24 -0.19 2.25 2.02 -0.98 -0.31 112.91 117.14 3ee2 h THR 133 Ca 0.03 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.40 3ee2 h THR 133 Cb 0.80 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3ee2 h THR 133 CO 0.06 0.31 -0.08 0.22 0.37 0.00 0.00 175.52 176.39 3ee2 h TYR 134 N 0.74 -0.20 -0.53 3.16 3.20 -0.84 -2.89 116.97 119.62 3ee2 h TYR 134 Ca 0.17 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 3ee2 h TYR 134 Cb 0.33 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3ee2 h TYR 134 CO 0.02 -0.13 0.19 1.25 -1.64 0.00 0.00 178.16 177.85 3ee2 h LEU 135 N -0.06 0.74 0.00 2.82 5.85 -0.70 -3.48 115.31 120.48 3ee2 h LEU 135 Ca 0.10 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ee2 h LEU 135 Cb 0.21 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3ee2 h LEU 135 CO -0.23 0.73 0.00 0.61 -0.34 0.00 0.00 178.44 179.21 3ee2 n GLY 136 N -0.75 1.97 0.42 3.75 0.00 -0.15 -1.95 105.19 108.48 3ee2 n GLY 136 Ca 0.02 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.58 3ee2 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ee2 n GLY 137 N 0.00 0.15 3.85 -0.02 0.00 -1.26 -4.96 105.19 102.94 3ee2 n GLY 137 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3ee2 n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ee2 s ARG 138 N -1.71 3.53 0.14 1.61 0.52 -0.82 -4.99 118.95 117.23 3ee2 s ARG 138 Ca 0.13 0.86 -0.08 0.00 -0.52 0.00 0.00 55.73 56.13 3ee2 s ARG 138 Cb 0.07 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 3ee2 s ARG 138 CO 0.08 -0.62 1.40 0.93 0.02 0.00 0.00 175.30 177.11 3ee2 h GLU 139 N -0.09 0.68 -5.37 3.54 5.08 -1.90 -3.47 114.58 113.06 3ee2 h GLU 139 Ca -0.45 -0.50 -0.41 0.00 -1.00 0.00 0.00 59.36 57.01 3ee2 h GLU 139 Cb 1.19 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 3ee2 h GLU 139 CO 0.61 1.12 -0.72 -1.58 -1.00 0.00 0.00 179.01 177.43 3ee2 s TRP 140 N -3.86 1.58 0.15 4.33 0.52 -1.26 -4.85 118.94 115.55 3ee2 s TRP 140 Ca -0.09 -0.67 -0.17 0.00 0.02 0.00 0.00 56.10 55.20 3ee2 s TRP 140 Cb 0.10 -0.78 0.03 0.00 -1.15 0.00 0.00 33.47 31.66 3ee2 s TRP 140 CO 0.87 0.24 1.77 -0.07 0.02 0.00 0.00 176.95 179.78 3ee2 h LEU 141 N 2.59 0.23 -8.01 2.99 3.38 -1.90 -3.43 115.31 111.17 3ee2 h LEU 141 Ca -0.38 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.08 3ee2 h LEU 141 Cb 1.21 -0.02 -0.33 0.00 0.09 0.00 0.00 40.66 41.61 3ee2 h LEU 141 CO 0.63 0.17 -0.82 -0.63 0.09 0.00 0.00 178.44 177.88 3ee2 s ILE 142 N -6.16 1.22 0.00 1.22 1.09 -1.26 -4.87 121.20 112.44 3ee2 s ILE 142 Ca -0.13 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 3ee2 s ILE 142 Cb 0.11 -1.10 0.00 0.00 -1.06 0.00 0.00 42.46 40.41 3ee2 s ILE 142 CO 0.71 0.37 0.00 0.61 -0.10 0.00 0.00 174.94 176.53 3ee2 n GLY 143 N 3.80 -0.58 0.13 6.18 0.00 -1.26 -4.16 105.19 109.30 3ee2 n GLY 143 Ca -0.22 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.71 3ee2 n GLY 143 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ee2 n ASN 144 N 0.29 1.60 -4.04 1.61 0.23 -1.26 -4.67 115.26 109.02 3ee2 n ASN 144 Ca 0.00 -2.43 -0.08 0.00 -0.53 0.00 0.00 54.58 51.55 3ee2 n ASN 144 Cb 0.00 -0.24 -0.09 0.00 -2.08 0.00 0.00 39.78 37.36 3ee2 n ASN 144 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3ee2 s SER 145 N -1.80 0.38 0.39 0.53 1.04 -1.26 -4.94 113.70 108.03 3ee2 s SER 145 Ca 0.15 -0.95 -0.28 0.00 0.48 0.00 0.00 55.95 55.36 3ee2 s SER 145 Cb 0.13 0.25 -0.10 0.00 0.10 0.00 0.00 66.02 66.40 3ee2 s SER 145 CO 0.01 -0.65 1.47 0.54 0.98 0.00 0.00 173.24 175.59 3ee2 s VAL 146 N -3.93 2.09 0.36 5.02 0.11 -1.26 -4.75 120.40 118.04 3ee2 s VAL 146 Ca 0.09 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 3ee2 s VAL 146 Cb 0.07 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 3ee2 s VAL 146 CO -0.08 0.02 0.10 0.42 -3.33 0.00 0.00 175.10 172.23 3ee2 s THR 147 N -1.14 0.81 -0.31 5.04 -4.23 -1.26 -4.52 115.64 110.03 3ee2 s THR 147 Ca 0.54 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.30 3ee2 s THR 147 Cb -0.46 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.10 3ee2 s THR 147 CO 0.61 0.00 1.75 4.11 -0.54 0.00 0.00 174.62 180.56 3ee2 h TRP 148 N 1.98 0.00 -0.67 3.99 5.08 -1.83 -0.83 115.95 123.67 3ee2 h TRP 148 Ca -0.38 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.57 3ee2 h TRP 148 Cb 1.26 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.39 3ee2 h TRP 148 CO 1.03 0.00 0.33 0.00 -1.28 0.00 0.00 178.44 178.52 3ee2 h ALA 149 N 2.16 1.31 -0.63 0.11 0.00 -1.85 0.02 119.26 120.38 3ee2 h ALA 149 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ee2 h ALA 149 Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ee2 h ALA 149 CO 0.00 0.54 0.12 -0.44 0.00 0.00 0.00 179.25 179.47 3ee2 h ASP 150 N 0.95 0.98 -0.56 0.00 5.19 -1.55 0.43 116.42 121.85 3ee2 h ASP 150 Ca 0.23 -0.25 -0.11 0.00 -0.62 0.00 0.00 57.03 56.29 3ee2 h ASP 150 Cb 0.09 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3ee2 h ASP 150 CO -0.03 0.98 -0.06 -0.26 -3.12 0.00 0.00 179.24 176.75 3ee2 h PHE 151 N 0.94 1.15 -0.38 4.55 0.04 -1.38 -2.31 116.94 119.55 3ee2 h PHE 151 Ca 0.19 -0.22 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 3ee2 h PHE 151 Cb 0.40 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3ee2 h PHE 151 CO 0.03 1.04 -0.29 -0.92 -0.60 0.00 0.00 178.31 177.57 3ee2 h TYR 152 N 0.92 0.93 -0.32 -0.55 3.20 -0.71 -0.68 116.97 119.76 3ee2 h TYR 152 Ca 0.15 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 61.86 3ee2 h TYR 152 Cb 0.63 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 3ee2 h TYR 152 CO 0.04 0.99 -0.22 2.35 -1.64 0.00 0.00 178.16 179.68 3ee2 h TRP 153 N 0.68 -0.58 -0.66 -3.82 -0.00 -0.81 0.78 115.95 111.54 3ee2 h TRP 153 Ca 0.08 0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.98 3ee2 h TRP 153 Cb 0.82 0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 30.26 3ee2 h TRP 153 CO 0.04 -0.30 0.29 1.49 -0.00 0.00 0.00 178.44 179.97 3ee2 h GLU 154 N -0.19 0.97 0.09 2.65 4.22 -1.01 -0.21 114.58 121.11 3ee2 h GLU 154 Ca 0.17 -0.16 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3ee2 h GLU 154 Cb 0.44 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ee2 h GLU 154 CO -0.43 0.79 -0.04 0.82 -2.18 0.00 0.00 179.01 177.96 3ee2 h ILE 155 N 0.93 1.03 -0.41 2.32 2.04 -0.92 -1.45 117.51 121.04 3ee2 h ILE 155 Ca 0.22 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3ee2 h ILE 155 Cb 0.16 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3ee2 h ILE 155 CO -0.02 0.10 0.20 0.00 0.00 0.00 0.00 178.15 178.43 3ee2 h SER 157 N 0.52 0.63 -0.57 0.00 4.64 -1.00 -0.97 113.55 116.80 3ee2 h SER 157 Ca 0.14 -0.19 0.09 0.00 -0.47 0.00 0.00 61.79 61.36 3ee2 h SER 157 Cb 0.12 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 3ee2 h SER 157 CO -0.02 0.80 0.19 0.74 -0.87 0.00 0.00 176.83 177.67 3ee2 h THR 158 N 0.58 0.77 -0.39 2.95 2.02 -1.14 0.22 112.91 117.91 3ee2 h THR 158 Ca 0.10 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3ee2 h THR 158 Cb 0.59 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3ee2 h THR 158 CO 0.04 0.07 -0.05 0.74 0.37 0.00 0.00 175.52 176.68 3ee2 h THR 159 N 0.36 1.27 -0.85 3.16 2.02 -1.18 -2.95 112.91 114.74 3ee2 h THR 159 Ca 0.28 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 3ee2 h THR 159 Cb 0.35 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3ee2 h THR 159 CO -0.30 0.37 0.53 -0.07 0.37 0.00 0.00 175.52 176.42 3ee2 h LEU 160 N 0.53 1.01 -1.89 2.58 3.38 -0.67 -2.74 115.31 117.51 3ee2 h LEU 160 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ee2 h LEU 160 Cb 0.55 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ee2 h LEU 160 CO 0.03 0.76 -0.12 -0.07 0.09 0.00 0.00 178.44 179.14 3ee2 h LEU 161 N 1.17 0.00 -0.61 1.67 3.38 -0.45 0.23 115.31 120.70 3ee2 h LEU 161 Ca 0.31 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.32 3ee2 h LEU 161 Cb -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3ee2 h LEU 161 CO -0.06 0.12 0.34 0.58 0.09 0.00 0.00 178.44 179.51 3ee2 h VAL 162 N 0.00 1.00 0.00 1.22 2.07 -1.32 -2.77 116.25 116.44 3ee2 h VAL 162 Ca -0.00 -0.22 -0.29 0.00 0.82 0.00 0.00 66.70 67.01 3ee2 h VAL 162 Cb 0.24 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3ee2 h VAL 162 CO 0.02 0.12 -1.77 0.49 0.02 0.00 0.00 177.57 176.44 3ee2 n PHE 163 N -4.80 0.87 -3.63 1.57 3.01 -0.52 -4.60 117.46 109.36 3ee2 n PHE 163 Ca 0.07 0.31 -0.28 0.00 1.01 0.00 0.00 57.45 58.56 3ee2 n PHE 163 Cb 0.14 -1.15 -0.12 0.00 -0.01 0.00 0.00 39.48 38.34 3ee2 n PHE 163 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3ee2 s LYS 164 N -2.62 1.45 0.56 -1.08 2.20 0.69 -5.00 119.74 115.94 3ee2 s LYS 164 Ca -0.05 -2.40 0.24 0.00 -0.36 0.00 0.00 55.97 53.40 3ee2 s LYS 164 Cb 0.08 -2.25 1.53 0.00 -1.51 0.00 0.00 37.83 35.68 3ee2 s LYS 164 CO 0.83 -1.29 2.14 -1.35 -0.36 0.00 0.00 175.35 175.32 3ee2 h PRO 165 N 5.94 0.00 -0.23 4.03 0.11 -1.74 -1.35 132.00 138.77 3ee2 h PRO 165 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3ee2 h PRO 165 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3ee2 h PRO 165 CO 0.50 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 3ee2 n ASP 166 N -4.15 1.25 -0.33 -2.05 5.68 -1.26 -4.55 116.55 111.14 3ee2 n ASP 166 Ca 0.00 -1.97 0.19 0.00 -0.50 0.00 0.00 54.79 52.51 3ee2 n ASP 166 Cb 0.22 -0.15 0.43 0.00 -1.14 0.00 0.00 41.12 40.48 3ee2 n ASP 166 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3ee2 h LEU 167 N 1.39 0.59 -2.98 -2.12 5.85 -1.61 -2.01 115.31 114.42 3ee2 h LEU 167 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ee2 h LEU 167 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3ee2 h LEU 167 CO 0.00 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.42 3ee2 n LEU 168 N -4.73 3.34 -0.19 2.25 4.77 -1.26 -4.65 117.00 116.53 3ee2 n LEU 168 Ca 0.25 -2.27 0.15 0.00 -0.03 0.00 0.00 56.01 54.11 3ee2 n LEU 168 Cb 0.76 -0.34 0.48 0.00 -2.33 0.00 0.00 43.42 41.98 3ee2 n LEU 168 CO 0.22 0.74 1.21 0.44 -1.33 0.00 0.00 177.39 178.67 3ee2 h ASP 169 N 2.25 0.45 -0.57 -1.43 5.19 -1.69 0.52 116.42 121.13 3ee2 h ASP 169 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3ee2 h ASP 169 Cb 0.96 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.41 3ee2 h ASP 169 CO 0.07 0.23 0.00 0.59 -3.12 0.00 0.00 179.24 177.01 3ee2 n ASN 170 N -4.50 4.03 -3.18 6.45 5.03 -1.26 -4.62 115.26 117.22 3ee2 n ASN 170 Ca 0.15 -2.32 -0.23 0.00 0.87 0.00 0.00 54.58 53.06 3ee2 n ASN 170 Cb 0.52 -0.52 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 3ee2 n ASN 170 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ee2 n HIS 171 N 1.02 1.26 -0.04 3.10 8.25 0.18 -4.95 115.22 124.03 3ee2 n HIS 171 Ca 0.22 -3.83 0.10 0.00 -0.26 0.00 0.00 57.72 53.95 3ee2 n HIS 171 Cb 0.74 -0.43 0.50 0.00 1.12 0.00 0.00 29.99 31.91 3ee2 n HIS 171 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ee2 h PRO 172 N 3.46 0.40 -0.10 -0.41 0.13 -1.82 -1.06 132.00 132.60 3ee2 h PRO 172 Ca 0.11 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 3ee2 h PRO 172 Cb 0.81 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3ee2 h PRO 172 CO 0.60 0.26 -0.36 0.00 -0.23 0.00 0.00 178.00 178.27 3ee2 h ARG 173 N 0.41 0.19 -0.35 0.86 3.08 -1.94 -0.74 114.38 115.90 3ee2 h ARG 173 Ca 0.22 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 3ee2 h ARG 173 Cb 0.36 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3ee2 h ARG 173 CO -0.06 0.53 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.91 3ee2 h LEU 174 N 0.17 0.95 -0.53 3.04 3.38 -1.60 -2.58 115.31 118.15 3ee2 h LEU 174 Ca 0.02 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3ee2 h LEU 174 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3ee2 h LEU 174 CO 0.05 1.24 0.18 0.58 0.09 0.00 0.00 178.44 180.58 3ee2 h VAL 175 N 0.68 1.23 -0.87 1.22 2.07 -0.97 -1.99 116.25 117.63 3ee2 h VAL 175 Ca 0.05 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3ee2 h VAL 175 Cb 0.99 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 3ee2 h VAL 175 CO 0.10 0.28 0.53 0.74 0.02 0.00 0.00 177.57 179.24 3ee2 h THR 176 N 0.72 1.00 -0.65 2.57 2.02 -1.11 -0.72 112.91 116.74 3ee2 h THR 176 Ca 0.17 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3ee2 h THR 176 Cb 0.26 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 3ee2 h THR 176 CO -0.01 0.17 0.07 0.25 0.37 0.00 0.00 175.52 176.38 3ee2 h LEU 177 N 0.94 1.06 -0.82 2.58 5.85 -1.25 0.41 115.31 124.09 3ee2 h LEU 177 Ca 0.39 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ee2 h LEU 177 Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3ee2 h LEU 177 CO -0.20 1.07 0.16 0.03 -0.34 0.00 0.00 178.44 179.16 3ee2 h ARG 178 N 1.02 1.05 -0.37 1.25 3.08 -0.58 -2.03 114.38 117.80 3ee2 h ARG 178 Ca 0.20 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3ee2 h ARG 178 Cb 0.48 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3ee2 h ARG 178 CO 0.02 0.93 -0.32 0.87 -1.07 0.00 0.00 179.97 180.40 3ee2 h LYS 179 N 1.00 0.88 -0.43 0.04 1.57 -0.64 -1.20 116.57 117.79 3ee2 h LYS 179 Ca 0.21 -0.44 0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3ee2 h LYS 179 Cb 0.35 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3ee2 h LYS 179 CO 0.00 1.09 0.23 0.87 -0.57 0.00 0.00 179.45 181.07 3ee2 h LYS 180 N 0.68 0.44 -0.48 3.15 1.57 -0.66 -0.50 116.57 120.77 3ee2 h LYS 180 Ca 0.07 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3ee2 h LYS 180 Cb 0.90 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3ee2 h LYS 180 CO 0.08 0.29 0.28 0.28 -0.57 0.00 0.00 179.45 179.82 3ee2 h VAL 181 N 0.45 1.05 0.00 0.50 2.07 -1.21 -2.46 116.25 116.65 3ee2 h VAL 181 Ca 0.18 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3ee2 h VAL 181 Cb 0.07 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3ee2 h VAL 181 CO -0.12 0.10 0.00 1.56 0.02 0.00 0.00 177.57 179.14 3ee2 h GLN 182 N 0.57 0.00 0.00 1.57 4.20 -0.79 -2.82 115.11 117.84 3ee2 h GLN 182 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3ee2 h GLN 182 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3ee2 h GLN 182 CO -0.09 0.00 -0.63 0.00 -0.67 0.00 0.00 178.83 177.44 3ee2 h ALA 183 N 2.08 0.64 -1.94 3.87 0.00 -0.63 -3.27 119.26 120.02 3ee2 h ALA 183 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3ee2 h ALA 183 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ee2 h ALA 183 CO 0.00 0.00 1.15 -0.89 0.00 0.00 0.00 179.25 179.51 3ee2 n ILE 184 N -2.48 0.54 -0.25 0.00 5.41 -1.07 -4.76 119.36 116.75 3ee2 n ILE 184 Ca 0.02 -0.14 0.06 0.00 1.00 0.00 0.00 62.75 63.69 3ee2 n ILE 184 Cb 0.49 -1.90 0.18 0.00 -0.71 0.00 0.00 39.64 37.71 3ee2 n ILE 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3ee2 h PRO 185 N 9.86 0.30 -0.21 0.38 0.11 -1.90 0.11 132.00 140.65 3ee2 h PRO 185 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3ee2 h PRO 185 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3ee2 h PRO 185 CO 0.96 0.20 -0.09 0.00 -0.21 0.00 0.00 178.00 178.86 3ee2 h ALA 186 N 1.59 1.47 -0.06 -0.75 0.00 -1.89 -1.07 119.26 118.56 3ee2 h ALA 186 Ca 0.41 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3ee2 h ALA 186 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ee2 h ALA 186 CO -0.48 0.37 -0.27 0.82 0.00 0.00 0.00 179.25 179.70 3ee2 h ILE 187 N 0.31 1.44 -0.79 0.00 1.08 -1.51 -2.57 117.51 115.48 3ee2 h ILE 187 Ca 0.06 -1.71 0.19 0.00 -0.39 0.00 0.00 64.86 63.02 3ee2 h ILE 187 Cb 0.35 2.38 -0.13 0.00 -3.07 0.00 0.00 36.82 36.36 3ee2 h ILE 187 CO 0.02 0.48 0.16 0.00 -0.69 0.00 0.00 178.15 178.12 3ee2 h ALA 188 N 0.41 1.02 -0.33 1.87 0.00 -0.84 -0.35 119.26 121.04 3ee2 h ALA 188 Ca -0.02 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3ee2 h ALA 188 Cb 0.92 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ee2 h ALA 188 CO 0.06 -0.40 -0.37 -0.97 0.00 0.00 0.00 179.25 177.57 3ee2 h ASN 189 N 0.21 0.80 -0.10 0.00 -1.24 -1.21 -1.93 115.58 112.12 3ee2 h ASN 189 Ca 0.46 -0.35 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 3ee2 h ASN 189 Cb 0.84 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.67 3ee2 h ASN 189 CO -0.59 1.09 0.00 -0.25 -1.29 0.00 0.00 177.43 176.39 3ee2 h TRP 190 N 0.63 0.19 -0.87 0.67 2.91 -0.93 -2.28 115.95 116.27 3ee2 h TRP 190 Ca 0.06 -0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.12 3ee2 h TRP 190 Cb 0.91 -0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 29.44 3ee2 h TRP 190 CO 0.05 0.42 0.54 0.82 -1.03 0.00 0.00 178.44 179.23 3ee2 h ILE 191 N -0.09 1.02 -0.22 2.65 2.04 -1.09 0.41 117.51 122.23 3ee2 h ILE 191 Ca 0.03 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3ee2 h ILE 191 Cb 0.34 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3ee2 h ILE 191 CO 0.00 0.17 0.08 0.50 0.00 0.00 0.00 178.15 178.91 3ee2 h LYS 192 N 0.96 0.18 0.00 2.37 3.64 -1.30 -3.32 116.57 119.10 3ee2 h LYS 192 Ca 0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3ee2 h LYS 192 Cb 0.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ee2 h LYS 192 CO -0.19 0.12 -0.93 0.54 -2.27 0.00 0.00 179.45 176.72 3ee2 n ARG 193 N -5.03 0.51 -1.47 1.90 1.74 -0.85 -4.99 116.66 108.48 3ee2 n ARG 193 Ca -0.02 0.10 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 3ee2 n ARG 193 Cb 0.07 -1.78 0.09 0.00 -1.02 0.00 0.00 32.46 29.82 3ee2 n ARG 193 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3ee2 s ARG 194 N -3.31 2.22 0.33 5.56 1.70 0.14 -4.91 118.95 120.68 3ee2 s ARG 194 Ca 0.01 1.69 -0.28 0.00 -0.47 0.00 0.00 55.73 56.68 3ee2 s ARG 194 Cb 0.11 -1.85 -0.12 0.00 -0.57 0.00 0.00 34.95 32.51 3ee2 s ARG 194 CO 0.78 -1.76 1.35 -2.30 -1.08 0.00 0.00 175.30 172.29 3ee2 n PRO 195 N -2.71 2.23 -2.62 3.89 -0.02 -1.26 -4.94 135.00 129.58 3ee2 n PRO 195 Ca 0.13 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 3ee2 n PRO 195 Cb 0.51 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3ee2 n PRO 195 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ee2 s GLN 196 N -1.69 3.89 0.03 -0.52 -0.21 -1.26 -4.93 119.66 114.96 3ee2 s GLN 196 Ca 0.57 0.81 0.03 0.00 0.02 0.00 0.00 55.36 56.78 3ee2 s GLN 196 Cb -0.56 -3.83 -0.02 0.00 1.00 0.00 0.00 33.01 29.61 3ee2 s GLN 196 CO 0.61 -1.16 -0.08 0.95 -2.12 0.00 0.00 175.29 173.48 3ee2 s THR 197 N 4.08 0.62 0.17 -0.19 -4.23 -1.26 -5.05 115.64 109.78 3ee2 s THR 197 Ca 0.47 -0.82 -0.21 0.00 -1.18 0.00 0.00 61.69 59.96 3ee2 s THR 197 Cb -0.09 -0.62 0.08 0.00 1.34 0.00 0.00 72.50 73.21 3ee2 s THR 197 CO 0.24 -0.16 1.62 0.50 -0.54 0.00 0.00 174.62 176.28 3ee2 h LYS 198 N 5.02 -0.18 -0.00 3.99 3.64 -1.95 -3.46 116.57 123.62 3ee2 h LYS 198 Ca -0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3ee2 h LYS 198 Cb 1.19 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3ee2 h LYS 198 CO 0.44 -0.12 0.00 1.28 -2.27 0.00 0.00 179.45 178.78