#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 6.76 -0.16 3.54 0.02 -1.26 -4.95 114.94 118.88 3ee2 s ASN 3 Ca 0.00 0.94 -0.02 0.00 -1.02 0.00 0.00 52.86 52.76 3ee2 s ASN 3 Cb 0.00 -2.40 -0.01 0.00 0.02 0.00 0.00 41.25 38.86 3ee2 s ASN 3 CO 0.00 -0.41 -0.09 -0.31 0.02 0.00 0.00 177.10 176.30 3ee2 s TYR 4 N 2.46 2.89 -0.13 2.20 1.51 -1.26 -0.68 117.35 124.34 3ee2 s TYR 4 Ca 0.32 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3ee2 s TYR 4 Cb -0.16 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3ee2 s TYR 4 CO 0.09 -0.32 -0.12 0.21 -1.11 0.00 0.00 175.55 174.29 3ee2 s LYS 5 N 0.76 2.02 -0.17 -0.62 2.20 -0.48 -0.45 119.74 123.00 3ee2 s LYS 5 Ca -0.04 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.03 3ee2 s LYS 5 Cb -0.15 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 3ee2 s LYS 5 CO 0.02 -0.21 0.10 -1.17 -0.36 0.00 0.00 175.35 173.73 3ee2 s LEU 6 N 1.46 4.09 -0.15 5.43 2.96 0.36 -0.73 118.68 132.09 3ee2 s LEU 6 Ca 0.03 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3ee2 s LEU 6 Cb -0.13 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.53 3ee2 s LEU 6 CO -0.08 0.23 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.11 3ee2 s THR 7 N 0.06 2.37 0.37 3.68 2.01 -0.87 0.31 115.64 123.56 3ee2 s THR 7 Ca 0.08 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.10 3ee2 s THR 7 Cb -0.12 -1.98 0.04 0.00 0.01 0.00 0.00 72.50 70.45 3ee2 s THR 7 CO -0.00 0.53 0.68 -0.47 -0.69 0.00 0.00 174.62 174.67 3ee2 s TYR 8 N 0.90 0.42 0.97 4.92 5.04 -0.79 -2.92 117.35 125.88 3ee2 s TYR 8 Ca -0.04 -0.94 -0.12 0.00 -2.44 0.00 0.00 57.07 53.52 3ee2 s TYR 8 Cb -0.15 0.53 0.17 0.00 0.35 0.00 0.00 41.96 42.86 3ee2 s TYR 8 CO -0.03 -1.42 1.10 -0.06 -1.34 0.00 0.00 175.55 173.81 3ee2 s PHE 9 N -2.62 2.19 -1.37 4.97 0.40 -1.26 -0.84 117.98 119.45 3ee2 s PHE 9 Ca 0.20 1.05 -0.16 0.00 -0.60 0.00 0.00 56.93 57.42 3ee2 s PHE 9 Cb -0.04 -3.24 0.07 0.00 0.51 0.00 0.00 43.02 40.32 3ee2 s PHE 9 CO 0.14 -2.72 1.95 -1.71 0.70 0.00 0.00 175.22 173.58 3ee2 n ASN 10 N -4.07 4.49 -3.82 1.36 5.15 -1.26 -4.68 115.26 112.43 3ee2 n ASN 10 Ca 0.06 -2.90 -0.09 0.00 -0.60 0.00 0.00 54.58 51.05 3ee2 n ASN 10 Cb 0.57 -1.69 -0.04 0.00 -0.53 0.00 0.00 39.78 38.09 3ee2 n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ee2 s MET 11 N 3.46 1.51 -0.02 1.20 0.23 -1.26 -4.95 119.30 119.48 3ee2 s MET 11 Ca 0.50 -0.97 -0.07 0.00 -1.03 0.00 0.00 55.69 54.11 3ee2 s MET 11 Cb 0.08 0.53 -0.04 0.00 -1.53 0.00 0.00 34.83 33.88 3ee2 s MET 11 CO -0.00 -0.65 0.49 0.00 -2.03 0.00 0.00 175.02 172.82 3ee2 h ARG 12 N 2.16 -0.26 0.00 3.16 3.08 -0.69 -3.45 114.38 118.37 3ee2 h ARG 12 Ca -0.26 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3ee2 h ARG 12 Cb 1.26 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3ee2 h ARG 12 CO 0.33 -0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 3ee2 n GLY 13 N 0.66 2.05 0.15 0.04 0.00 -1.25 -1.37 105.19 105.47 3ee2 n GLY 13 Ca -0.03 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 12.45 0.63 0.05 1.61 1.74 -1.26 -3.11 116.66 128.77 3ee2 n ARG 14 Ca 0.00 -0.29 0.12 0.00 -0.77 0.00 0.00 57.85 56.90 3ee2 n ARG 14 Cb 0.00 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.05 3ee2 n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ee2 n ALA 15 N -0.93 3.08 0.09 7.54 0.00 -0.91 -4.41 120.51 124.97 3ee2 n ALA 15 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 3ee2 n ALA 15 Cb 0.31 -1.09 0.27 0.00 0.00 0.00 0.00 19.45 18.94 3ee2 n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ee2 h GLU 16 N 0.00 0.27 -0.66 0.00 4.57 -1.16 -1.72 114.58 115.89 3ee2 h GLU 16 Ca 0.00 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3ee2 h GLU 16 Cb 0.76 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 3ee2 h GLU 16 CO 0.00 0.56 0.26 0.97 -1.18 0.00 0.00 179.01 179.62 3ee2 h ILE 17 N 0.24 1.23 -0.27 2.32 6.09 -1.81 -0.47 117.51 124.83 3ee2 h ILE 17 Ca 0.03 -0.72 -0.06 0.00 -1.37 0.00 0.00 64.86 62.74 3ee2 h ILE 17 Cb 0.67 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 3ee2 h ILE 17 CO 0.05 0.29 -0.08 0.40 -3.07 0.00 0.00 178.15 175.74 3ee2 h ILE 18 N 0.95 1.29 -0.87 2.19 2.04 -1.62 -2.29 117.51 119.20 3ee2 h ILE 18 Ca 0.22 -1.12 0.09 0.00 1.00 0.00 0.00 64.86 65.05 3ee2 h ILE 18 Cb 0.19 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 3ee2 h ILE 18 CO -0.02 0.35 0.52 0.03 0.00 0.00 0.00 178.15 179.03 3ee2 h ARG 19 N 0.29 0.86 -0.50 2.37 3.08 -0.92 -1.09 114.38 118.46 3ee2 h ARG 19 Ca 0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3ee2 h ARG 19 Cb 0.57 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3ee2 h ARG 19 CO 0.03 0.57 0.23 1.88 -1.07 0.00 0.00 179.97 181.61 3ee2 h TYR 20 N 0.89 0.73 -0.01 3.04 -1.99 -0.97 -1.04 116.97 117.62 3ee2 h TYR 20 Ca 0.41 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 61.09 3ee2 h TYR 20 Cb 0.31 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 3ee2 h TYR 20 CO -0.04 0.59 0.00 0.82 -0.00 0.00 0.00 178.16 179.53 3ee2 h ILE 21 N 0.66 1.08 -0.73 -2.88 2.04 -0.99 0.17 117.51 116.86 3ee2 h ILE 21 Ca 0.17 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3ee2 h ILE 21 Cb 0.14 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3ee2 h ILE 21 CO -0.02 0.06 0.47 -0.26 0.00 0.00 0.00 178.15 178.40 3ee2 h PHE 22 N -0.09 0.88 0.21 1.37 0.05 -1.20 0.81 116.94 118.98 3ee2 h PHE 22 Ca 0.00 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.82 3ee2 h PHE 22 Cb 0.10 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 37.74 3ee2 h PHE 22 CO -0.04 0.53 -0.23 0.00 -0.18 0.00 0.00 178.31 178.38 3ee2 h ALA 23 N 1.29 -0.46 -0.88 2.45 0.00 -0.83 -1.18 119.26 119.65 3ee2 h ALA 23 Ca 0.28 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3ee2 h ALA 23 Cb -0.04 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3ee2 h ALA 23 CO -0.09 -0.79 0.57 -0.92 0.00 0.00 0.00 179.25 178.02 3ee2 h TYR 24 N -0.49 1.00 -0.03 0.00 3.20 -0.20 -1.67 116.97 118.78 3ee2 h TYR 24 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3ee2 h TYR 24 Cb 0.46 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3ee2 h TYR 24 CO -0.17 0.51 0.00 1.28 -1.64 0.00 0.00 178.16 178.14 3ee2 n LEU 25 N -4.50 1.34 -3.74 2.82 4.77 0.24 -4.89 117.00 113.04 3ee2 n LEU 25 Ca 0.14 -0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 55.40 3ee2 n LEU 25 Cb 0.22 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3ee2 n LEU 25 CO 0.33 0.23 0.10 -0.67 -1.33 0.00 0.00 177.39 176.04 3ee2 n ASP 26 N 0.05 -3.95 -4.42 -1.43 4.64 -0.52 -4.97 116.55 105.96 3ee2 n ASP 26 Ca 0.19 -0.72 -0.37 0.00 -1.38 0.00 0.00 54.79 52.51 3ee2 n ASP 26 Cb 0.32 -4.31 -0.12 0.00 -1.04 0.00 0.00 41.12 35.96 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 -3.41 4.24 0.40 5.18 1.01 -0.74 -5.06 121.20 122.81 3ee2 s ILE 27 Ca 0.41 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.47 3ee2 s ILE 27 Cb -0.20 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.14 3ee2 s ILE 27 CO 0.79 0.25 1.24 -1.58 0.00 0.00 0.00 174.94 175.64 3ee2 s GLN 28 N 1.59 4.04 0.14 2.79 0.74 -1.26 -4.61 119.66 123.09 3ee2 s GLN 28 Ca 0.05 2.01 -0.17 0.00 0.05 0.00 0.00 55.36 57.31 3ee2 s GLN 28 Cb -0.16 -2.75 0.03 0.00 1.10 0.00 0.00 33.01 31.24 3ee2 s GLN 28 CO 0.03 -0.38 0.44 1.52 -0.55 0.00 0.00 175.29 176.35 3ee2 s TYR 29 N -1.31 -0.19 -0.24 1.67 -0.85 -1.26 -4.68 117.35 110.48 3ee2 s TYR 29 Ca 0.56 -0.12 -0.25 0.00 -0.52 0.00 0.00 57.07 56.74 3ee2 s TYR 29 Cb -0.35 0.30 -0.00 0.00 0.38 0.00 0.00 41.96 42.29 3ee2 s TYR 29 CO 0.44 -0.76 0.84 -2.00 -1.52 0.00 0.00 175.55 172.56 3ee2 s GLU 30 N -3.82 4.19 -1.18 -3.49 2.12 0.40 -4.97 118.70 111.95 3ee2 s GLU 30 Ca 0.04 0.96 -0.12 0.00 0.36 0.00 0.00 54.97 56.22 3ee2 s GLU 30 Cb 0.01 -3.64 0.21 0.00 0.26 0.00 0.00 34.13 30.96 3ee2 s GLU 30 CO -0.10 -0.52 1.34 0.34 -0.54 0.00 0.00 175.26 175.78 3ee2 s ASP 31 N 1.33 7.16 -0.19 -1.70 3.68 -1.26 -0.49 116.67 125.20 3ee2 s ASP 31 Ca 0.35 -3.20 -0.28 0.00 2.13 0.00 0.00 52.55 51.56 3ee2 s ASP 31 Cb -0.15 -2.34 -0.00 0.00 -1.45 0.00 0.00 42.92 38.97 3ee2 s ASP 31 CO 0.07 -0.60 0.96 -2.28 0.13 0.00 0.00 175.17 173.46 3ee2 s HIS 32 N 0.67 3.40 -0.28 -5.34 5.65 0.15 -4.98 115.29 114.55 3ee2 s HIS 32 Ca 0.39 1.42 -0.04 0.00 0.25 0.00 0.00 55.06 57.08 3ee2 s HIS 32 Cb -0.05 -3.17 0.02 0.00 -1.18 0.00 0.00 32.58 28.20 3ee2 s HIS 32 CO -0.02 -0.36 0.01 1.03 -0.65 0.00 0.00 174.74 174.75 3ee2 s ARG 33 N 2.64 2.85 0.55 2.88 0.52 -1.26 -1.88 118.95 125.25 3ee2 s ARG 33 Ca 0.43 -0.99 -0.15 0.00 -0.52 0.00 0.00 55.73 54.49 3ee2 s ARG 33 Cb -0.16 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.06 3ee2 s ARG 33 CO 0.10 -0.47 1.00 0.96 0.02 0.00 0.00 175.30 176.92 3ee2 s ILE 34 N 1.38 4.58 0.03 1.52 -4.36 -0.02 -4.78 121.20 119.55 3ee2 s ILE 34 Ca 0.00 1.11 -0.29 0.00 -0.26 0.00 0.00 60.65 61.21 3ee2 s ILE 34 Cb -0.17 -3.76 -0.04 0.00 1.25 0.00 0.00 42.46 39.73 3ee2 s ILE 34 CO -0.01 -0.83 0.93 -1.61 0.24 0.00 0.00 174.94 173.66 3ee2 s GLU 35 N -4.41 4.59 0.49 0.37 2.02 -1.26 -4.28 118.70 116.23 3ee2 s GLU 35 Ca 0.58 1.35 0.29 0.00 0.02 0.00 0.00 54.97 57.20 3ee2 s GLU 35 Cb -0.10 -3.42 1.37 0.00 0.10 0.00 0.00 34.13 32.08 3ee2 s GLU 35 CO 0.38 0.08 1.83 1.96 0.02 0.00 0.00 175.26 179.53 3ee2 h GLN 36 N 6.29 0.13 0.00 1.61 1.08 -1.99 -1.18 115.11 121.05 3ee2 h GLN 36 Ca -0.42 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 56.75 3ee2 h GLN 36 Cb 1.21 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3ee2 h GLN 36 CO 0.74 0.09 -0.13 0.00 -0.95 0.00 0.00 178.83 178.57 3ee2 h ALA 37 N 1.53 1.13 -0.01 3.87 0.00 -2.05 -1.91 119.26 121.82 3ee2 h ALA 37 Ca 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3ee2 h ALA 37 Cb 1.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3ee2 h ALA 37 CO -0.09 0.16 -0.19 -0.25 0.00 0.00 0.00 179.25 178.88 3ee2 n ASP 38 N -3.43 1.13 -0.06 0.00 8.00 -0.45 -4.47 116.55 117.26 3ee2 n ASP 38 Ca -0.01 -1.03 -0.07 0.00 0.71 0.00 0.00 54.79 54.39 3ee2 n ASP 38 Cb 0.30 0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 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 1.47 -0.19 -0.98 1.24 2.91 -1.32 -2.12 115.95 116.97 3ee2 h TRP 39 Ca 0.00 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.16 3ee2 h TRP 39 Cb 0.50 0.12 -0.08 0.00 -0.51 0.00 0.00 29.16 29.20 3ee2 h TRP 39 CO 0.00 -0.14 0.62 -1.35 -1.03 0.00 0.00 178.44 176.54 3ee2 h PRO 40 N -0.03 0.93 0.47 2.65 0.11 -1.81 -0.33 132.00 133.99 3ee2 h PRO 40 Ca 0.13 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3ee2 h PRO 40 Cb 0.23 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3ee2 h PRO 40 CO -0.28 0.61 -0.22 0.93 -0.21 0.00 0.00 178.00 178.83 3ee2 h GLU 41 N 0.96 -0.60 -0.42 1.05 5.08 -1.81 -3.15 114.58 115.68 3ee2 h GLU 41 Ca 0.48 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.84 3ee2 h GLU 41 Cb 0.49 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3ee2 h GLU 41 CO -0.24 -0.36 0.10 0.82 -1.00 0.00 0.00 179.01 178.33 3ee2 h ILE 42 N -0.71 1.19 0.00 3.13 2.04 -0.99 -2.71 117.51 119.46 3ee2 h ILE 42 Ca -0.06 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3ee2 h ILE 42 Cb 0.52 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3ee2 h ILE 42 CO 0.11 0.24 -0.21 0.50 0.00 0.00 0.00 178.15 178.79 3ee2 h LYS 43 N 0.61 0.00 -0.06 2.37 3.64 -1.06 -2.37 116.57 119.69 3ee2 h LYS 43 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3ee2 h LYS 43 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ee2 h LYS 43 CO -0.00 0.21 0.00 -1.13 -2.27 0.00 0.00 179.45 176.26 3ee2 n SER 44 N -3.79 0.90 -0.70 4.20 3.41 -1.02 -2.76 113.62 113.86 3ee2 n SER 44 Ca -0.02 -1.46 0.10 0.00 -0.26 0.00 0.00 58.87 57.24 3ee2 n SER 44 Cb 0.31 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.23 0.00 -3.71 6.66 -2.24 -0.89 -5.02 114.28 108.84 3ee2 n THR 45 Ca 0.18 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 3ee2 n THR 45 Cb 0.23 1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.97 4.29 0.24 3.22 1.43 -1.11 -4.99 118.68 119.79 3ee2 s LEU 46 Ca 0.22 0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 3ee2 s LEU 46 Cb 0.17 -3.19 0.26 0.00 0.03 0.00 0.00 46.19 43.46 3ee2 s LEU 46 CO 0.35 0.09 1.82 1.55 0.23 0.00 0.00 176.35 180.40 3ee2 h PRO 47 N 3.01 1.11 0.00 1.29 0.13 -1.89 -3.23 132.00 132.42 3ee2 h PRO 47 Ca -0.46 -0.18 -0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3ee2 h PRO 47 Cb 1.17 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3ee2 h PRO 47 CO 0.72 0.88 -0.20 1.19 -0.23 0.00 0.00 178.00 180.36 3ee2 n PHE 48 N -4.30 0.00 -1.28 1.56 3.01 -1.26 -5.01 117.46 110.19 3ee2 n PHE 48 Ca 0.07 -0.62 -0.10 0.00 1.01 0.00 0.00 57.45 57.82 3ee2 n PHE 48 Cb 0.17 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.48 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 -0.87 1.04 3.33 1.37 0.00 -1.22 -5.00 105.19 103.83 3ee2 n GLY 49 Ca 0.10 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.60 1.25 0.21 1.61 -0.14 -1.26 -4.96 119.74 113.86 3ee2 s LYS 50 Ca 0.00 -1.35 0.10 0.00 -1.36 0.00 0.00 55.97 53.36 3ee2 s LYS 50 Cb 0.00 -1.39 -0.04 0.00 -1.68 0.00 0.00 37.83 34.71 3ee2 s LYS 50 CO 0.00 0.30 -0.14 0.96 -0.76 0.00 0.00 175.35 175.71 3ee2 s ILE 51 N -1.77 2.88 0.68 2.17 -4.36 -1.26 -4.60 121.20 114.94 3ee2 s ILE 51 Ca 0.14 -1.93 -0.11 0.00 -0.26 0.00 0.00 60.65 58.49 3ee2 s ILE 51 Cb -0.07 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.19 3ee2 s ILE 51 CO 0.06 -0.20 1.06 -2.16 0.24 0.00 0.00 174.94 173.94 3ee2 s PRO 52 N -3.03 3.06 0.11 0.37 0.04 -1.26 -4.96 135.00 129.33 3ee2 s PRO 52 Ca 0.26 0.77 0.07 0.00 0.04 0.00 0.00 61.00 62.13 3ee2 s PRO 52 Cb -0.08 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3ee2 s PRO 52 CO 0.14 -0.96 -0.17 0.96 0.04 0.00 0.00 177.00 177.01 3ee2 s ILE 53 N -3.15 1.50 -0.12 0.56 -4.36 -1.15 -3.71 121.20 110.77 3ee2 s ILE 53 Ca 0.57 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 59.38 3ee2 s ILE 53 Cb -0.13 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.11 3ee2 s ILE 53 CO 0.54 -0.23 -0.16 -0.22 0.24 0.00 0.00 174.94 175.11 3ee2 s LEU 54 N -2.15 1.78 -0.18 0.37 2.96 0.02 -2.05 118.68 119.44 3ee2 s LEU 54 Ca 0.07 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.39 3ee2 s LEU 54 Cb -0.08 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 3ee2 s LEU 54 CO 0.04 0.01 0.23 -1.61 -1.32 0.00 0.00 176.35 173.71 3ee2 s GLU 55 N 1.04 4.23 -0.36 1.98 2.02 0.09 0.14 118.70 127.84 3ee2 s GLU 55 Ca -0.05 -0.02 0.03 0.00 0.02 0.00 0.00 54.97 54.95 3ee2 s GLU 55 Cb -0.15 -3.43 0.10 0.00 0.10 0.00 0.00 34.13 30.76 3ee2 s GLU 55 CO -0.03 0.25 0.09 0.08 0.02 0.00 0.00 175.26 175.67 3ee2 s VAL 56 N 0.45 2.04 -1.47 2.63 1.01 0.20 -1.38 120.40 123.88 3ee2 s VAL 56 Ca 0.13 -2.29 -0.11 0.00 0.00 0.00 0.00 61.98 59.71 3ee2 s VAL 56 Cb -0.12 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.81 3ee2 s VAL 56 CO 0.02 -0.64 0.97 0.47 0.00 0.00 0.00 175.10 175.92 3ee2 n ASP 57 N 4.22 -5.38 -3.74 3.32 10.43 0.15 -0.71 116.55 124.83 3ee2 n ASP 57 Ca 0.03 -0.62 -0.25 0.00 2.57 0.00 0.00 54.79 56.52 3ee2 n ASP 57 Cb 0.41 -4.29 0.05 0.00 1.84 0.00 0.00 41.12 39.13 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 -1.74 -0.44 3.12 0.44 0.00 -1.26 -5.00 105.19 100.31 3ee2 n GLY 58 Ca 0.01 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -7.04 2.01 -0.13 0.99 1.43 0.11 -5.14 118.68 110.92 3ee2 s LEU 59 Ca 0.40 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.72 3ee2 s LEU 59 Cb -0.19 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3ee2 s LEU 59 CO 0.79 0.02 0.58 -0.89 0.23 0.00 0.00 176.35 177.09 3ee2 s THR 60 N 1.11 5.10 0.06 5.49 2.01 -1.26 0.59 115.64 128.74 3ee2 s THR 60 Ca -0.01 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.18 3ee2 s THR 60 Cb -0.14 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3ee2 s THR 60 CO -0.07 0.24 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.31 3ee2 s LEU 61 N 1.09 3.36 0.24 4.42 1.43 0.12 -4.97 118.68 124.37 3ee2 s LEU 61 Ca 0.30 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3ee2 s LEU 61 Cb -0.16 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3ee2 s LEU 61 CO 0.12 0.22 0.06 -1.38 0.23 0.00 0.00 176.35 175.60 3ee2 s HIS 62 N -1.19 1.52 0.00 0.29 -3.43 -1.26 -0.80 115.29 110.42 3ee2 s HIS 62 Ca 0.22 -1.09 0.00 0.00 -0.80 0.00 0.00 55.06 53.39 3ee2 s HIS 62 Cb -0.11 -0.89 0.00 0.00 -1.43 0.00 0.00 32.58 30.14 3ee2 s HIS 62 CO 0.14 -0.24 0.00 1.04 -2.00 0.00 0.00 174.74 173.68 3ee2 n GLN 63 N -0.43 0.00 -0.04 -0.38 1.13 -1.24 -4.34 117.38 112.07 3ee2 n GLN 63 Ca -0.02 0.43 0.06 0.00 -1.94 0.00 0.00 57.00 55.53 3ee2 n GLN 63 Cb 0.65 -0.54 0.44 0.00 0.11 0.00 0.00 30.24 30.90 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 0.00 0.47 0.86 1.08 4.64 -1.85 -0.99 113.55 117.76 3ee2 h SER 64 Ca 0.00 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 3ee2 h SER 64 Cb 0.00 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3ee2 h SER 64 CO 0.00 0.32 -1.22 -0.07 -0.87 0.00 0.00 176.83 174.99 3ee2 h LEU 65 N 0.54 0.00 -0.27 5.97 3.38 -1.90 -1.19 115.31 121.84 3ee2 h LEU 65 Ca 0.20 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3ee2 h LEU 65 Cb 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3ee2 h LEU 65 CO -0.05 0.86 -0.03 0.00 0.09 0.00 0.00 178.44 179.30 3ee2 h ALA 66 N 1.14 0.22 -0.42 1.53 0.00 -1.50 -0.66 119.26 119.57 3ee2 h ALA 66 Ca -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ee2 h ALA 66 Cb 1.76 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3ee2 h ALA 66 CO 0.09 -0.44 0.14 0.82 0.00 0.00 0.00 179.25 179.86 3ee2 h ILE 67 N 0.04 1.21 -0.75 0.00 2.04 -1.18 -0.77 117.51 118.11 3ee2 h ILE 67 Ca 0.13 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.35 3ee2 h ILE 67 Cb 0.19 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3ee2 h ILE 67 CO -0.25 0.25 0.44 0.00 0.00 0.00 0.00 178.15 178.59 3ee2 h ALA 68 N 0.99 1.01 -0.43 1.87 0.00 -1.04 -0.00 119.26 121.65 3ee2 h ALA 68 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3ee2 h ALA 68 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ee2 h ALA 68 CO -0.01 0.16 -0.22 -0.09 0.00 0.00 0.00 179.25 179.10 3ee2 h ARG 69 N 0.82 0.90 -0.24 0.00 2.43 -0.79 -2.28 114.38 115.22 3ee2 h ARG 69 Ca 0.33 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3ee2 h ARG 69 Cb 0.16 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3ee2 h ARG 69 CO -0.17 1.05 0.02 -0.92 -1.51 0.00 0.00 179.97 178.44 3ee2 h TYR 70 N 0.73 0.03 0.00 2.20 3.20 -0.58 -2.25 116.97 120.29 3ee2 h TYR 70 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3ee2 h TYR 70 Cb 0.79 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3ee2 h TYR 70 CO 0.06 -0.01 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.18 3ee2 h LEU 71 N 0.10 0.00 0.00 2.82 3.38 -0.84 -3.12 115.31 117.65 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 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ee2 h LEU 71 CO -0.17 0.32 -0.81 0.35 0.09 0.00 0.00 178.44 178.22 3ee2 n THR 72 N -3.93 0.02 -1.65 0.22 -2.24 -0.87 -4.86 114.28 100.97 3ee2 n THR 72 Ca -0.02 -0.04 -0.53 0.00 -2.27 0.00 0.00 64.05 61.20 3ee2 n THR 72 Cb 0.38 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.57 1.41 -2.18 -0.78 4.81 -0.86 -1.28 118.16 117.70 3ee2 n LYS 73 Ca 0.04 0.51 -0.17 0.00 -0.87 0.00 0.00 58.31 57.82 3ee2 n LYS 73 Cb 0.35 -2.21 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 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 4.13 -5.06 -4.66 3.14 3.02 -1.26 -5.02 115.26 109.55 3ee2 n ASN 74 Ca 0.22 0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.57 3ee2 n ASN 74 Cb 0.19 -4.14 -0.09 0.00 -0.61 0.00 0.00 39.78 35.13 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 -2.82 2.27 -0.56 3.41 -4.23 -0.41 -5.01 115.64 108.29 3ee2 s THR 75 Ca 0.00 -1.90 0.20 0.00 -1.18 0.00 0.00 61.69 58.80 3ee2 s THR 75 Cb 0.00 -2.93 0.20 0.00 1.34 0.00 0.00 72.50 71.12 3ee2 s THR 75 CO 0.00 -0.06 1.61 -0.90 -0.54 0.00 0.00 174.62 174.73 3ee2 n ASP 76 N -1.04 0.48 0.04 3.99 5.75 -1.26 -2.73 116.55 121.77 3ee2 n ASP 76 Ca -0.03 0.64 0.11 0.00 -0.01 0.00 0.00 54.79 55.50 3ee2 n ASP 76 Cb 0.65 -0.74 0.45 0.00 -1.03 0.00 0.00 41.12 40.45 3ee2 n ASP 76 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3ee2 n LEU 77 N -2.06 0.22 0.10 -2.12 4.77 -1.26 -4.28 117.00 112.37 3ee2 n LEU 77 Ca 0.02 0.54 -0.04 0.00 -0.03 0.00 0.00 56.01 56.49 3ee2 n LEU 77 Cb 0.17 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 40.87 3ee2 n LEU 77 CO 0.15 -0.21 0.43 0.00 -1.33 0.00 0.00 177.39 176.43 3ee2 h ALA 78 N 2.62 0.82 0.00 -1.18 0.00 -1.64 -1.86 119.26 118.02 3ee2 h ALA 78 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ee2 h ALA 78 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ee2 h ALA 78 CO 0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 3ee2 n GLY 79 N 0.41 2.85 0.04 0.00 0.00 -1.26 -4.41 105.19 102.82 3ee2 n GLY 79 Ca -0.02 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 0.26 -3.97 1.61 3.02 -1.26 -4.68 115.26 110.24 3ee2 n ASN 80 Ca 0.00 -0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.38 3ee2 n ASN 80 Cb 0.00 -0.17 -0.07 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 -2.79 0.05 0.21 3.41 -4.23 -1.26 -5.03 115.64 105.99 3ee2 s THR 81 Ca 0.20 -1.40 -0.06 0.00 -1.18 0.00 0.00 61.69 59.24 3ee2 s THR 81 Cb 0.19 -1.94 0.07 0.00 1.34 0.00 0.00 72.50 72.16 3ee2 s THR 81 CO 0.54 -0.21 1.66 -0.33 -0.54 0.00 0.00 174.62 175.75 3ee2 h GLU 82 N 2.48 0.94 -0.49 3.99 5.08 -1.99 0.15 114.58 124.74 3ee2 h GLU 82 Ca -0.31 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 57.63 3ee2 h GLU 82 Cb 1.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3ee2 h GLU 82 CO 0.46 0.97 -0.14 1.98 -1.00 0.00 0.00 179.01 181.28 3ee2 h MET 83 N 0.85 0.95 -0.62 2.33 4.05 -1.99 -1.53 114.93 118.98 3ee2 h MET 83 Ca 0.15 -0.37 -0.04 0.00 -0.28 0.00 0.00 59.70 59.15 3ee2 h MET 83 Cb 0.58 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 3ee2 h MET 83 CO 0.04 1.04 0.21 0.93 0.23 0.00 0.00 176.91 179.35 3ee2 h GLU 84 N 0.81 0.93 -0.89 0.39 5.08 -1.87 -1.48 114.58 117.54 3ee2 h GLU 84 Ca 0.12 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 3ee2 h GLU 84 Cb 0.70 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3ee2 h GLU 84 CO 0.05 0.78 0.58 1.96 -1.00 0.00 0.00 179.01 181.39 3ee2 h GLN 85 N 0.90 0.94 -0.35 2.33 4.20 -0.52 -0.46 115.11 122.16 3ee2 h GLN 85 Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3ee2 h GLN 85 Cb 0.23 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3ee2 h GLN 85 CO -0.01 0.62 0.22 0.00 -0.67 0.00 0.00 178.83 178.99 3ee2 h HIS 87 N 0.47 0.84 0.27 0.00 3.86 -0.69 0.38 115.15 120.28 3ee2 h HIS 87 Ca 0.13 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3ee2 h HIS 87 Cb -0.02 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.19 3ee2 h HIS 87 CO -0.05 0.67 -0.13 0.28 0.86 0.00 0.00 177.93 179.57 3ee2 h VAL 88 N 0.82 0.78 -0.67 2.45 2.07 -0.92 -0.29 116.25 120.49 3ee2 h VAL 88 Ca 0.19 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.46 3ee2 h VAL 88 Cb 0.21 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3ee2 h VAL 88 CO -0.01 0.08 0.23 0.44 0.02 0.00 0.00 177.57 178.33 3ee2 h ASP 89 N -0.55 0.18 -0.43 0.57 3.32 -0.76 -1.71 116.42 117.04 3ee2 h ASP 89 Ca -0.04 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3ee2 h ASP 89 Cb 0.41 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3ee2 h ASP 89 CO 0.06 0.09 0.01 0.00 -1.72 0.00 0.00 179.24 177.67 3ee2 h ALA 90 N 1.49 0.57 -0.53 3.45 0.00 -0.11 -0.44 119.26 123.69 3ee2 h ALA 90 Ca 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ee2 h ALA 90 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ee2 h ALA 90 CO -0.37 0.35 0.11 0.82 0.00 0.00 0.00 179.25 180.16 3ee2 h ILE 91 N 0.59 1.25 -0.35 0.00 1.08 -0.74 -1.06 117.51 118.27 3ee2 h ILE 91 Ca 0.12 -0.90 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 3ee2 h ILE 91 Cb 0.48 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 3ee2 h ILE 91 CO 0.02 0.33 0.23 0.58 -0.69 0.00 0.00 178.15 178.61 3ee2 h VAL 92 N 0.74 1.08 -0.13 1.67 2.07 -1.17 -1.66 116.25 118.86 3ee2 h VAL 92 Ca 0.16 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3ee2 h VAL 92 Cb 0.37 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3ee2 h VAL 92 CO 0.01 0.08 -0.31 0.44 0.02 0.00 0.00 177.57 177.81 3ee2 h ASP 93 N 0.46 0.26 -0.33 0.57 3.45 -0.88 0.13 116.42 120.08 3ee2 h ASP 93 Ca 0.13 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 3ee2 h ASP 93 Cb -0.05 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3ee2 h ASP 93 CO -0.03 0.57 0.06 0.74 -1.57 0.00 0.00 179.24 179.01 3ee2 h THR 94 N 0.23 1.23 -0.48 0.35 2.02 -0.57 0.48 112.91 116.17 3ee2 h THR 94 Ca 0.03 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 3ee2 h THR 94 Cb 0.67 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3ee2 h THR 94 CO 0.05 0.26 0.17 -0.07 0.37 0.00 0.00 175.52 176.30 3ee2 h LEU 95 N 0.38 0.68 -0.60 2.58 3.38 -1.04 -2.70 115.31 117.99 3ee2 h LEU 95 Ca 0.10 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3ee2 h LEU 95 Cb 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ee2 h LEU 95 CO 0.00 0.68 0.09 -0.78 0.09 0.00 0.00 178.44 178.53 3ee2 h ASP 96 N 0.63 0.96 -0.04 -0.43 3.58 -0.57 -1.14 116.42 119.41 3ee2 h ASP 96 Ca 0.16 -0.26 0.02 0.00 0.42 0.00 0.00 57.03 57.37 3ee2 h ASP 96 Cb 0.23 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3ee2 h ASP 96 CO -0.01 0.98 -0.11 0.44 -2.88 0.00 0.00 179.24 177.66 3ee2 h ASP 97 N 0.90 -0.33 0.02 2.28 3.45 -0.90 0.20 116.42 122.04 3ee2 h ASP 97 Ca 0.18 0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.72 3ee2 h ASP 97 Cb 0.43 0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.32 3ee2 h ASP 97 CO 0.01 -0.15 -0.16 0.15 -1.57 0.00 0.00 179.24 177.52 3ee2 h PHE 98 N -0.17 -0.41 -0.89 4.55 3.57 -1.23 -2.89 116.94 119.47 3ee2 h PHE 98 Ca 0.05 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3ee2 h PHE 98 Cb 0.24 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 3ee2 h PHE 98 CO -0.19 -0.23 0.57 0.52 -2.23 0.00 0.00 178.31 176.74 3ee2 h MET 99 N -0.27 1.04 0.00 1.11 2.86 -0.89 -1.26 114.93 117.52 3ee2 h MET 99 Ca 0.05 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3ee2 h MET 99 Cb 0.33 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3ee2 h MET 99 CO -0.14 0.69 0.00 0.43 1.06 0.00 0.00 176.91 178.95 3ee2 n SER 100 N -4.56 0.00 0.21 1.22 7.64 0.68 -2.37 113.62 116.45 3ee2 n SER 100 Ca 0.12 0.50 0.10 0.00 1.01 0.00 0.00 58.87 60.59 3ee2 n SER 100 Cb 0.13 -0.50 0.37 0.00 -1.01 0.00 0.00 64.21 63.21 3ee2 n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ee2 s PHE 102 N -3.49 3.41 -1.41 0.00 0.40 -1.00 -4.93 117.98 110.96 3ee2 s PHE 102 Ca 0.02 1.25 -0.12 0.00 -0.60 0.00 0.00 56.93 57.48 3ee2 s PHE 102 Cb 0.09 -3.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.11 3ee2 s PHE 102 CO 0.65 -1.45 2.52 -0.35 0.70 0.00 0.00 175.22 177.28 3ee2 n PRO 103 N 3.81 3.02 0.10 0.24 -0.04 -1.26 -4.72 135.00 136.15 3ee2 n PRO 103 Ca 0.09 -2.21 0.16 0.00 -0.04 0.00 0.00 63.50 61.49 3ee2 n PRO 103 Cb 0.46 -2.94 0.68 0.00 -0.04 0.00 0.00 33.50 31.66 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 5.76 0.00 -0.78 0.54 4.06 -1.93 -0.91 115.95 122.68 3ee2 h TRP 104 Ca 0.69 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 61.13 3ee2 h TRP 104 Cb 0.42 0.00 -0.29 0.00 -1.00 0.00 0.00 29.16 28.29 3ee2 h TRP 104 CO 1.69 0.00 0.15 0.00 -3.56 0.00 0.00 178.44 176.72 3ee2 n ALA 105 N -2.59 5.42 -2.28 1.49 0.00 -1.26 -5.02 120.51 116.27 3ee2 n ALA 105 Ca 0.05 -3.43 -0.38 0.00 0.00 0.00 0.00 53.44 49.68 3ee2 n ALA 105 Cb 0.41 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 3ee2 n ALA 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ee2 s GLU 106 N -3.57 4.16 0.00 0.00 2.56 -0.35 -5.04 118.70 116.46 3ee2 s GLU 106 Ca 0.55 0.69 0.00 0.00 0.00 0.00 0.00 54.97 56.22 3ee2 s GLU 106 Cb 0.45 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 33.43 3ee2 s GLU 106 CO 0.02 0.59 0.00 1.63 -0.56 0.00 0.00 175.26 176.94 3ee2 n LYS 107 N 1.46 0.00 -1.52 4.30 4.76 -1.26 -4.71 118.16 121.20 3ee2 n LYS 107 Ca -0.09 0.13 -0.29 0.00 -2.87 0.00 0.00 58.31 55.19 3ee2 n LYS 107 Cb 0.51 -0.52 -0.15 0.00 -1.84 0.00 0.00 35.03 33.03 3ee2 n LYS 107 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3ee2 n LYS 108 N -1.37 0.24 0.01 1.97 5.02 -1.26 -4.78 118.16 117.99 3ee2 n LYS 108 Ca 0.00 -0.14 0.04 0.00 -2.02 0.00 0.00 58.31 56.19 3ee2 n LYS 108 Cb 0.00 -1.94 0.17 0.00 -0.02 0.00 0.00 35.03 33.24 3ee2 n LYS 108 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3ee2 n GLN 109 N 7.50 0.01 -0.08 1.97 -0.06 -1.26 -0.84 117.38 124.62 3ee2 n GLN 109 Ca 0.60 0.40 -0.15 0.00 -2.00 0.00 0.00 57.00 55.85 3ee2 n GLN 109 Cb 0.21 -1.54 -0.12 0.00 -4.06 0.00 0.00 30.24 24.73 3ee2 n GLN 109 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 3ee2 h ASP 110 N 0.00 0.00 -0.85 1.69 3.45 -1.98 -3.13 116.42 115.60 3ee2 h ASP 110 Ca 0.00 -0.84 0.05 0.00 0.43 0.00 0.00 57.03 56.67 3ee2 h ASP 110 Cb 0.12 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.83 3ee2 h ASP 110 CO 0.00 1.06 0.53 0.58 -1.57 0.00 0.00 179.24 179.84 3ee2 h VAL 111 N -1.00 1.06 0.15 -1.35 2.07 -1.46 -0.88 116.25 114.84 3ee2 h VAL 111 Ca -0.06 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.13 3ee2 h VAL 111 Cb 1.00 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3ee2 h VAL 111 CO -0.04 0.18 -0.47 0.50 0.02 0.00 0.00 177.57 177.76 3ee2 h LYS 112 N 0.98 -0.68 0.00 1.57 3.64 -1.18 -2.30 116.57 118.60 3ee2 h LYS 112 Ca 0.36 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3ee2 h LYS 112 Cb 0.13 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3ee2 h LYS 112 CO -0.16 -0.46 0.00 0.93 -2.27 0.00 0.00 179.45 177.49 3ee2 h GLU 113 N -0.71 0.00 0.15 1.90 5.08 -1.16 0.51 114.58 120.36 3ee2 h GLU 113 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 3ee2 h GLU 113 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3ee2 h GLU 113 CO -0.23 0.00 -1.64 -0.56 -1.00 0.00 0.00 179.01 175.58 3ee2 h GLN 114 N 0.00 0.33 -0.11 2.33 3.07 -1.18 -1.58 115.11 117.96 3ee2 h GLN 114 Ca 0.00 -0.56 -0.00 0.00 0.09 0.00 0.00 58.65 58.18 3ee2 h GLN 114 Cb 0.17 0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 3ee2 h GLN 114 CO 0.00 1.21 0.06 0.52 0.09 0.00 0.00 178.83 180.71 3ee2 h MET 115 N 0.09 0.15 0.12 0.06 2.86 -0.60 0.11 114.93 117.73 3ee2 h MET 115 Ca -0.29 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 3ee2 h MET 115 Cb 2.06 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.66 3ee2 h MET 115 CO 0.17 0.17 -0.30 0.74 1.06 0.00 0.00 176.91 178.75 3ee2 h PHE 116 N 0.09 -0.81 -0.53 -0.22 -1.00 -1.09 -0.48 116.94 112.89 3ee2 h PHE 116 Ca 0.04 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.89 3ee2 h PHE 116 Cb 0.07 0.34 -0.05 0.00 3.61 0.00 0.00 35.95 39.92 3ee2 h PHE 116 CO -0.05 -0.41 0.25 -0.97 -1.61 0.00 0.00 178.31 175.53 3ee2 h ASN 117 N -0.52 0.35 -0.25 2.17 -1.24 -1.12 0.11 115.58 115.07 3ee2 h ASN 117 Ca 0.03 0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.14 3ee2 h ASN 117 Cb 0.55 -0.02 -0.08 0.00 0.73 0.00 0.00 38.32 39.50 3ee2 h ASN 117 CO -0.18 0.23 -0.39 -0.08 -1.29 0.00 0.00 177.43 175.73 3ee2 h GLU 118 N 0.49 -0.38 -0.04 6.67 4.57 -0.66 0.80 114.58 126.02 3ee2 h GLU 118 Ca 0.24 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.37 3ee2 h GLU 118 Cb 0.18 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3ee2 h GLU 118 CO -0.19 -0.25 -0.36 -0.07 -1.18 0.00 0.00 179.01 176.96 3ee2 h LEU 119 N -0.39 0.08 0.00 1.64 3.38 -0.29 -2.10 115.31 117.63 3ee2 h LEU 119 Ca 0.11 -0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 3ee2 h LEU 119 Cb 0.59 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3ee2 h LEU 119 CO -0.46 0.44 -1.58 -0.07 0.09 0.00 0.00 178.44 176.85 3ee2 h LEU 120 N 0.07 0.00 0.12 1.67 3.38 -0.84 0.20 115.31 119.91 3ee2 h LEU 120 Ca 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.70 3ee2 h LEU 120 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ee2 h LEU 120 CO 0.05 0.98 -1.33 0.74 0.09 0.00 0.00 178.44 178.97 3ee2 h THR 121 N 0.00 1.39 0.00 0.22 2.02 -0.73 -3.37 112.91 112.44 3ee2 h THR 121 Ca -0.24 -2.99 -0.08 0.00 0.77 0.00 0.00 66.41 63.88 3ee2 h THR 121 Cb 1.96 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 71.23 3ee2 h THR 121 CO 0.09 0.87 -1.28 -1.22 0.37 0.00 0.00 175.52 174.34 3ee2 n TYR 122 N -3.49 0.00 -0.08 3.16 4.02 -0.80 -4.73 117.16 115.23 3ee2 n TYR 122 Ca -0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.63 3ee2 n TYR 122 Cb 1.03 -0.19 -0.11 0.00 -0.02 0.00 0.00 39.34 40.05 3ee2 n TYR 122 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3ee2 h ASN 123 N -0.02 0.00 -0.77 7.72 4.21 -1.49 -3.38 115.58 121.86 3ee2 h ASN 123 Ca -0.11 -0.65 0.10 0.00 1.21 0.00 0.00 56.30 56.85 3ee2 h ASN 123 Cb 1.16 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.29 3ee2 h ASN 123 CO -0.02 1.16 0.40 0.00 -1.29 0.00 0.00 177.43 177.67 3ee2 h ALA 124 N -0.35 1.08 -0.71 -0.83 0.00 -0.79 -2.18 119.26 115.48 3ee2 h ALA 124 Ca -0.15 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ee2 h ALA 124 Cb 1.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3ee2 h ALA 124 CO -0.09 -0.01 0.47 -1.35 0.00 0.00 0.00 179.25 178.27 3ee2 h PRO 125 N 0.66 0.86 -0.23 0.00 0.11 -1.76 -0.70 132.00 130.94 3ee2 h PRO 125 Ca 0.38 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 3ee2 h PRO 125 Cb 0.41 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3ee2 h PRO 125 CO -0.28 0.57 0.04 0.45 -0.21 0.00 0.00 178.00 178.57 3ee2 h HIS 126 N 0.88 0.40 -0.76 0.65 3.86 -1.58 -1.02 115.15 117.58 3ee2 h HIS 126 Ca 0.28 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3ee2 h HIS 126 Cb 0.02 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 3ee2 h HIS 126 CO -0.00 0.51 0.45 1.25 0.86 0.00 0.00 177.93 180.99 3ee2 h LEU 127 N 0.18 0.92 -0.26 2.43 5.85 -1.00 -1.18 115.31 122.25 3ee2 h LEU 127 Ca 0.07 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ee2 h LEU 127 Cb 0.32 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3ee2 h LEU 127 CO 0.00 0.73 0.17 0.24 -0.34 0.00 0.00 178.44 179.24 3ee2 h MET 128 N 1.04 0.34 -0.90 1.25 2.86 -0.97 0.12 114.93 118.67 3ee2 h MET 128 Ca 0.27 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 3ee2 h MET 128 Cb -0.02 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 3ee2 h MET 128 CO -0.05 0.23 0.59 0.37 1.06 0.00 0.00 176.91 179.11 3ee2 h GLN 129 N 0.35 1.16 -0.58 1.72 5.75 -1.01 -0.55 115.11 121.96 3ee2 h GLN 129 Ca 0.09 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 3ee2 h GLN 129 Cb -0.04 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.23 3ee2 h GLN 129 CO -0.02 0.77 0.06 -0.44 -2.65 0.00 0.00 178.83 176.55 3ee2 h ASP 130 N 1.19 0.95 -0.10 -0.69 3.32 -0.51 -1.55 116.42 119.04 3ee2 h ASP 130 Ca 0.34 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3ee2 h ASP 130 Cb -0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3ee2 h ASP 130 CO -0.09 0.99 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.18 3ee2 h LEU 131 N 0.88 0.47 -0.16 1.55 3.38 -0.42 -1.08 115.31 119.93 3ee2 h LEU 131 Ca 0.17 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3ee2 h LEU 131 Cb 0.47 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ee2 h LEU 131 CO 0.02 0.67 -0.56 -0.78 0.09 0.00 0.00 178.44 177.87 3ee2 h ASP 132 N 0.44 0.76 -0.36 -0.43 -0.00 -0.82 -1.05 116.42 114.95 3ee2 h ASP 132 Ca 0.07 -0.61 -0.01 0.00 -0.00 0.00 0.00 57.03 56.49 3ee2 h ASP 132 Cb 0.56 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.65 3ee2 h ASP 132 CO 0.04 1.24 0.21 0.74 -0.00 0.00 0.00 179.24 181.46 3ee2 h THR 133 N 0.33 1.14 -0.85 2.25 2.02 -1.21 -0.55 112.91 116.04 3ee2 h THR 133 Ca -0.03 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 66.86 3ee2 h THR 133 Cb 1.19 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 3ee2 h THR 133 CO 0.12 0.14 0.54 0.22 0.37 0.00 0.00 175.52 176.90 3ee2 h TYR 134 N 0.47 1.00 -0.14 3.16 3.20 -1.12 -2.69 116.97 120.85 3ee2 h TYR 134 Ca 0.13 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.80 3ee2 h TYR 134 Cb 0.04 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 37.99 3ee2 h TYR 134 CO -0.03 0.54 -0.79 1.25 -1.64 0.00 0.00 178.16 177.49 3ee2 h LEU 135 N 1.01 0.89 0.00 2.82 5.85 -0.93 -3.48 115.31 121.46 3ee2 h LEU 135 Ca 0.35 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ee2 h LEU 135 Cb 0.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3ee2 h LEU 135 CO -0.14 1.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.95 3ee2 n GLY 136 N 0.70 2.72 1.76 3.75 0.00 -0.24 -2.33 105.19 111.56 3ee2 n GLY 136 Ca -0.07 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 2.84 3.92 -0.02 0.00 -1.26 -4.96 105.19 105.70 3ee2 n GLY 137 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.57 2.75 0.07 1.61 0.52 -0.98 -5.02 118.95 115.32 3ee2 s ARG 138 Ca 0.50 -0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.53 3ee2 s ARG 138 Cb 0.38 -2.22 -0.15 0.00 0.52 0.00 0.00 34.95 33.47 3ee2 s ARG 138 CO 0.15 -0.86 1.29 0.93 0.02 0.00 0.00 175.30 176.83 3ee2 h GLU 139 N -0.33 0.62 -5.36 3.54 5.08 -1.89 -3.47 114.58 112.77 3ee2 h GLU 139 Ca -0.45 -0.46 -0.41 0.00 -1.00 0.00 0.00 59.36 57.04 3ee2 h GLU 139 Cb 1.27 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.46 3ee2 h GLU 139 CO 0.61 1.08 -0.71 -1.58 -1.00 0.00 0.00 179.01 177.41 3ee2 s TRP 140 N -3.85 1.61 0.21 4.33 0.52 -1.26 -4.85 118.94 115.65 3ee2 s TRP 140 Ca -0.12 -0.68 -0.09 0.00 0.02 0.00 0.00 56.10 55.22 3ee2 s TRP 140 Cb 0.07 -0.81 0.25 0.00 -1.15 0.00 0.00 33.47 31.82 3ee2 s TRP 140 CO 0.84 0.22 1.81 -0.07 0.02 0.00 0.00 176.95 179.78 3ee2 h LEU 141 N 2.57 0.56 -8.01 2.99 3.38 -1.91 -3.42 115.31 111.46 3ee2 h LEU 141 Ca -0.38 0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.16 3ee2 h LEU 141 Cb 1.21 -0.08 -0.31 0.00 0.09 0.00 0.00 40.66 41.57 3ee2 h LEU 141 CO 0.63 0.36 -0.80 -0.63 0.09 0.00 0.00 178.44 178.10 3ee2 s ILE 142 N -6.09 0.92 0.00 1.22 1.09 -1.26 -4.91 121.20 112.16 3ee2 s ILE 142 Ca -0.13 -0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.00 3ee2 s ILE 142 Cb 0.16 -0.81 0.00 0.00 -1.06 0.00 0.00 42.46 40.75 3ee2 s ILE 142 CO 0.76 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 176.49 3ee2 n GLY 143 N 3.33 0.51 1.15 6.18 0.00 -1.26 -4.09 105.19 111.01 3ee2 n GLY 143 Ca -0.19 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.23 3.67 -3.92 1.61 0.23 -1.26 -4.58 115.26 108.78 3ee2 n ASN 144 Ca 0.00 -2.00 -0.09 0.00 -0.53 0.00 0.00 54.58 51.96 3ee2 n ASN 144 Cb 0.00 -0.42 -0.05 0.00 -2.08 0.00 0.00 39.78 37.23 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 -1.00 -0.11 0.33 0.53 1.04 -1.26 -4.95 113.70 108.28 3ee2 s SER 145 Ca 0.42 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 3ee2 s SER 145 Cb 0.22 0.55 -0.11 0.00 0.10 0.00 0.00 66.02 66.78 3ee2 s SER 145 CO 0.28 -1.06 1.55 0.55 0.98 0.00 0.00 173.24 175.54 3ee2 n VAL 146 N -0.33 1.47 -4.50 5.02 3.14 -1.26 -4.75 118.33 117.11 3ee2 n VAL 146 Ca -0.05 -0.37 -0.24 0.00 -2.96 0.00 0.00 64.34 60.72 3ee2 n VAL 146 Cb 0.62 -1.97 -0.10 0.00 -1.06 0.00 0.00 33.84 31.33 3ee2 n VAL 146 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3ee2 s THR 147 N -0.51 1.22 -0.99 1.55 -4.23 -1.26 -4.51 115.64 106.90 3ee2 s THR 147 Ca 0.59 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.22 3ee2 s THR 147 Cb -0.49 -2.72 0.10 0.00 1.34 0.00 0.00 72.50 70.74 3ee2 s THR 147 CO 0.56 0.00 1.39 -2.67 -0.54 0.00 0.00 174.62 173.36 3ee2 n TRP 148 N -0.80 0.01 0.02 3.99 4.27 -0.70 -1.46 117.44 122.78 3ee2 n TRP 148 Ca -0.04 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.51 3ee2 n TRP 148 Cb 0.66 -0.51 0.13 0.00 -1.36 0.00 0.00 31.31 30.24 3ee2 n TRP 148 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3ee2 h ALA 149 N 2.42 0.90 -0.50 -1.67 0.00 -1.87 0.39 119.26 118.93 3ee2 h ALA 149 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3ee2 h ALA 149 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ee2 h ALA 149 CO 0.00 0.64 0.02 -0.44 0.00 0.00 0.00 179.25 179.47 3ee2 h ASP 150 N 0.38 0.84 -0.35 0.00 3.45 -1.66 0.38 116.42 119.46 3ee2 h ASP 150 Ca 0.03 -0.29 0.05 0.00 0.43 0.00 0.00 57.03 57.24 3ee2 h ASP 150 Cb 0.91 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 39.41 3ee2 h ASP 150 CO 0.08 0.93 0.08 -0.26 -1.57 0.00 0.00 179.24 178.50 3ee2 h PHE 151 N 0.73 0.14 -0.62 4.55 -1.00 -1.47 -1.77 116.94 117.50 3ee2 h PHE 151 Ca 0.14 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.88 3ee2 h PHE 151 Cb 0.48 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.01 3ee2 h PHE 151 CO 0.04 0.04 0.15 -0.92 -1.61 0.00 0.00 178.31 176.01 3ee2 h TYR 152 N 0.21 1.03 -0.54 -0.55 3.20 -0.53 -0.19 116.97 119.61 3ee2 h TYR 152 Ca 0.17 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 61.98 3ee2 h TYR 152 Cb 0.18 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.09 3ee2 h TYR 152 CO -0.17 0.87 0.21 2.35 -1.64 0.00 0.00 178.16 179.77 3ee2 h TRP 153 N 0.90 0.37 -0.56 -3.82 2.91 -0.78 0.40 115.95 115.37 3ee2 h TRP 153 Ca 0.19 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 60.17 3ee2 h TRP 153 Cb 0.35 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.89 3ee2 h TRP 153 CO 0.03 0.13 0.07 1.49 -1.03 0.00 0.00 178.44 179.12 3ee2 h GLU 154 N 0.40 0.95 0.23 2.65 4.22 -0.64 -1.02 114.58 121.38 3ee2 h GLU 154 Ca 0.26 -0.27 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 3ee2 h GLU 154 Cb 0.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ee2 h GLU 154 CO -0.25 0.92 -0.11 0.82 -2.18 0.00 0.00 179.01 178.21 3ee2 h ILE 155 N 0.84 0.83 -0.33 2.32 2.04 -0.85 -1.61 117.51 120.75 3ee2 h ILE 155 Ca 0.17 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.65 3ee2 h ILE 155 Cb 0.45 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3ee2 h ILE 155 CO 0.02 0.09 0.21 0.00 0.00 0.00 0.00 178.15 178.46 3ee2 h SER 157 N 0.42 0.25 -0.49 0.00 4.64 -1.22 -1.45 113.55 115.70 3ee2 h SER 157 Ca 0.13 -0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.41 3ee2 h SER 157 Cb -0.02 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 3ee2 h SER 157 CO -0.05 0.68 0.15 0.74 -0.87 0.00 0.00 176.83 177.48 3ee2 h THR 158 N 0.19 0.79 -0.32 2.95 2.02 -0.98 0.24 112.91 117.81 3ee2 h THR 158 Ca 0.01 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3ee2 h THR 158 Cb 0.88 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3ee2 h THR 158 CO 0.07 0.06 0.03 0.74 0.37 0.00 0.00 175.52 176.79 3ee2 h THR 159 N 0.30 1.24 -0.88 3.16 2.02 -1.33 -3.09 112.91 114.34 3ee2 h THR 159 Ca 0.24 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.57 3ee2 h THR 159 Cb 0.28 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 3ee2 h THR 159 CO -0.27 0.28 0.58 -0.07 0.37 0.00 0.00 175.52 176.41 3ee2 h LEU 160 N 0.35 1.00 -2.40 2.58 3.38 -0.91 -1.16 115.31 118.15 3ee2 h LEU 160 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ee2 h LEU 160 Cb 0.38 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ee2 h LEU 160 CO 0.01 0.72 -0.02 -0.07 0.09 0.00 0.00 178.44 179.16 3ee2 h LEU 161 N 1.17 0.00 -0.80 1.67 3.38 -0.50 -0.26 115.31 119.98 3ee2 h LEU 161 Ca 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 3ee2 h LEU 161 Cb -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ee2 h LEU 161 CO -0.08 0.02 0.35 0.58 0.09 0.00 0.00 178.44 179.41 3ee2 h VAL 162 N 0.00 1.26 0.00 1.22 2.07 -1.13 -2.89 116.25 116.79 3ee2 h VAL 162 Ca -0.00 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 3ee2 h VAL 162 Cb 0.18 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3ee2 h VAL 162 CO 0.00 0.32 -1.75 0.49 0.02 0.00 0.00 177.57 176.65 3ee2 n PHE 163 N -4.32 0.33 -3.43 1.57 3.01 -0.74 -4.66 117.46 109.22 3ee2 n PHE 163 Ca 0.07 0.10 -0.28 0.00 1.01 0.00 0.00 57.45 58.35 3ee2 n PHE 163 Cb 0.16 -0.73 -0.11 0.00 -0.01 0.00 0.00 39.48 38.80 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 -3.30 0.82 0.39 -1.08 2.20 -0.19 -5.01 119.74 113.56 3ee2 s LYS 164 Ca -0.06 -1.86 0.12 0.00 -0.36 0.00 0.00 55.97 53.81 3ee2 s LYS 164 Cb 0.11 -1.43 0.92 0.00 -1.51 0.00 0.00 37.83 35.92 3ee2 s LYS 164 CO 0.86 -1.32 1.91 -1.35 -0.36 0.00 0.00 175.35 175.09 3ee2 h PRO 165 N 6.14 0.55 -0.03 4.03 0.11 -1.77 -2.45 132.00 138.58 3ee2 h PRO 165 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3ee2 h PRO 165 Cb 0.93 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3ee2 h PRO 165 CO 0.34 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 3ee2 n ASP 166 N -4.51 0.50 -0.40 -2.05 5.75 -1.26 -4.49 116.55 110.09 3ee2 n ASP 166 Ca 0.15 -1.38 0.32 0.00 -0.01 0.00 0.00 54.79 53.86 3ee2 n ASP 166 Cb 0.46 -0.02 0.59 0.00 -1.03 0.00 0.00 41.12 41.12 3ee2 n ASP 166 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3ee2 h LEU 167 N 0.70 0.32 -3.04 -2.12 5.85 -1.82 -1.11 115.31 114.09 3ee2 h LEU 167 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3ee2 h LEU 167 Cb 0.15 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3ee2 h LEU 167 CO 0.00 -0.13 0.00 0.18 -0.34 0.00 0.00 178.44 178.15 3ee2 n LEU 168 N -4.75 2.99 -0.17 2.25 4.77 -1.26 -4.69 117.00 116.14 3ee2 n LEU 168 Ca 0.34 -2.49 0.12 0.00 -0.03 0.00 0.00 56.01 53.96 3ee2 n LEU 168 Cb 1.25 -0.32 0.45 0.00 -2.33 0.00 0.00 43.42 42.46 3ee2 n LEU 168 CO 0.19 0.67 1.21 0.44 -1.33 0.00 0.00 177.39 178.57 3ee2 h ASP 169 N 1.30 0.49 -0.38 -1.43 5.19 -1.51 0.13 116.42 120.21 3ee2 h ASP 169 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3ee2 h ASP 169 Cb 0.96 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.39 3ee2 h ASP 169 CO 0.07 0.28 0.00 0.59 -3.12 0.00 0.00 179.24 177.06 3ee2 n ASN 170 N -4.49 2.52 -3.15 6.45 5.03 -1.26 -4.65 115.26 115.70 3ee2 n ASN 170 Ca 0.13 -1.92 -0.22 0.00 0.87 0.00 0.00 54.58 53.45 3ee2 n ASN 170 Cb 0.42 -0.25 -0.04 0.00 -1.02 0.00 0.00 39.78 38.89 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 0.87 1.30 -0.19 3.10 8.25 0.47 -4.95 115.22 124.08 3ee2 n HIS 171 Ca 0.17 -3.85 0.20 0.00 -0.26 0.00 0.00 57.72 53.99 3ee2 n HIS 171 Cb 0.43 -0.44 0.57 0.00 1.12 0.00 0.00 29.99 31.67 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 3.25 0.28 -0.02 -0.41 0.13 -1.83 -0.92 132.00 132.47 3ee2 h PRO 172 Ca 0.11 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.15 3ee2 h PRO 172 Cb 0.82 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3ee2 h PRO 172 CO 0.60 0.18 -0.31 0.00 -0.23 0.00 0.00 178.00 178.24 3ee2 h ARG 173 N 0.29 0.04 -0.03 0.86 3.08 -1.93 0.41 114.38 117.11 3ee2 h ARG 173 Ca 0.42 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 60.28 3ee2 h ARG 173 Cb 1.20 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3ee2 h ARG 173 CO -0.12 0.35 -0.78 -0.07 -1.07 0.00 0.00 179.97 178.29 3ee2 h LEU 174 N 0.04 0.28 0.05 3.04 3.38 -1.56 -2.65 115.31 117.89 3ee2 h LEU 174 Ca 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ee2 h LEU 174 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ee2 h LEU 174 CO 0.04 0.95 -0.03 0.58 0.09 0.00 0.00 178.44 180.08 3ee2 h VAL 175 N 0.14 1.01 -0.32 1.22 2.07 -1.24 -1.32 116.25 117.82 3ee2 h VAL 175 Ca -0.03 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.35 3ee2 h VAL 175 Cb 1.37 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.20 3ee2 h VAL 175 CO 0.12 0.05 -0.26 0.74 0.02 0.00 0.00 177.57 178.24 3ee2 h THR 176 N -0.16 0.34 -0.47 2.57 2.02 -0.94 -0.11 112.91 116.15 3ee2 h THR 176 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 3ee2 h THR 176 Cb 0.14 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 3ee2 h THR 176 CO 0.01 0.00 0.18 0.25 0.37 0.00 0.00 175.52 176.33 3ee2 h LEU 177 N -0.23 0.20 -0.54 2.58 5.85 -1.44 0.68 115.31 122.41 3ee2 h LEU 177 Ca 0.16 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.03 3ee2 h LEU 177 Cb 0.49 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 3ee2 h LEU 177 CO -0.45 0.14 0.10 0.03 -0.34 0.00 0.00 178.44 177.92 3ee2 h ARG 178 N 0.36 0.22 -0.01 1.25 3.08 -0.61 -1.83 114.38 116.84 3ee2 h ARG 178 Ca 0.22 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 3ee2 h ARG 178 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3ee2 h ARG 178 CO -0.22 0.15 -0.54 0.87 -1.07 0.00 0.00 179.97 179.16 3ee2 h LYS 179 N 0.23 0.03 -0.42 0.04 1.57 -0.33 -1.81 116.57 115.87 3ee2 h LYS 179 Ca 0.28 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3ee2 h LYS 179 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3ee2 h LYS 179 CO -0.37 0.56 0.05 0.87 -0.57 0.00 0.00 179.45 179.99 3ee2 h LYS 180 N 0.02 0.72 -0.26 3.15 1.57 -0.43 -1.52 116.57 119.82 3ee2 h LYS 180 Ca -0.00 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3ee2 h LYS 180 Cb 0.97 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3ee2 h LYS 180 CO 0.07 0.77 0.11 0.28 -0.57 0.00 0.00 179.45 180.11 3ee2 h VAL 181 N 0.56 0.96 0.00 0.50 2.07 -1.24 -2.73 116.25 116.38 3ee2 h VAL 181 Ca 0.13 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3ee2 h VAL 181 Cb 0.41 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3ee2 h VAL 181 CO 0.01 0.04 -0.04 1.56 0.02 0.00 0.00 177.57 179.17 3ee2 h GLN 182 N 0.24 0.00 0.00 1.57 4.20 -1.17 -2.62 115.11 117.33 3ee2 h GLN 182 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3ee2 h GLN 182 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3ee2 h GLN 182 CO -0.10 0.04 -0.69 0.00 -0.67 0.00 0.00 178.83 177.41 3ee2 h ALA 183 N 1.96 0.56 -2.38 3.87 0.00 -0.96 -3.18 119.26 119.14 3ee2 h ALA 183 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3ee2 h ALA 183 Cb 0.15 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ee2 h ALA 183 CO 0.00 0.00 1.19 -0.89 0.00 0.00 0.00 179.25 179.55 3ee2 n ILE 184 N -2.22 0.63 -0.34 0.00 5.41 -0.99 -4.77 119.36 117.08 3ee2 n ILE 184 Ca 0.03 -0.11 0.18 0.00 1.00 0.00 0.00 62.75 63.85 3ee2 n ILE 184 Cb 0.46 -2.23 0.42 0.00 -0.71 0.00 0.00 39.64 37.58 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 9.84 0.54 -0.05 0.38 0.11 -1.90 0.11 132.00 141.03 3ee2 h PRO 185 Ca -0.49 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 3ee2 h PRO 185 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ee2 h PRO 185 CO 0.94 0.35 -0.67 0.00 -0.21 0.00 0.00 178.00 178.41 3ee2 h ALA 186 N 1.68 0.77 -0.05 -0.75 0.00 -1.89 -0.68 119.26 118.33 3ee2 h ALA 186 Ca 0.61 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3ee2 h ALA 186 Cb 1.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ee2 h ALA 186 CO -0.39 0.78 -0.58 0.82 0.00 0.00 0.00 179.25 179.88 3ee2 h ILE 187 N 0.16 1.39 -0.40 0.00 1.08 -1.38 -2.38 117.51 115.97 3ee2 h ILE 187 Ca -0.02 -1.96 0.05 0.00 -0.39 0.00 0.00 64.86 62.54 3ee2 h ILE 187 Cb 1.21 2.39 -0.05 0.00 -3.07 0.00 0.00 36.82 37.30 3ee2 h ILE 187 CO 0.10 0.58 0.12 0.00 -0.69 0.00 0.00 178.15 178.27 3ee2 h ALA 188 N 0.40 0.46 -0.56 1.87 0.00 -0.93 -0.07 119.26 120.43 3ee2 h ALA 188 Ca -0.06 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ee2 h ALA 188 Cb 1.25 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3ee2 h ALA 188 CO 0.12 -0.27 0.31 -0.91 0.00 0.00 0.00 179.25 178.50 3ee2 h ASN 189 N 0.27 0.48 -0.16 0.00 2.35 -1.14 -1.61 115.58 115.78 3ee2 h ASN 189 Ca 0.19 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3ee2 h ASN 189 Cb 0.19 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3ee2 h ASN 189 CO -0.21 0.33 0.08 -0.25 -1.65 0.00 0.00 177.43 175.73 3ee2 h TRP 190 N 0.60 0.22 -0.95 1.19 2.91 -0.99 -1.40 115.95 117.52 3ee2 h TRP 190 Ca 0.24 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.37 3ee2 h TRP 190 Cb 0.10 -0.07 -0.08 0.00 -0.51 0.00 0.00 29.16 28.60 3ee2 h TRP 190 CO -0.08 0.23 0.58 0.82 -1.03 0.00 0.00 178.44 178.96 3ee2 h ILE 191 N 0.14 0.91 0.00 2.65 2.04 -0.89 0.18 117.51 122.53 3ee2 h ILE 191 Ca 0.05 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 3ee2 h ILE 191 Cb 0.09 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 3ee2 h ILE 191 CO -0.01 0.17 -0.57 0.50 0.00 0.00 0.00 178.15 178.24 3ee2 h LYS 192 N 0.93 0.00 0.00 2.37 3.64 -0.91 -3.29 116.57 119.31 3ee2 h LYS 192 Ca 0.47 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.59 3ee2 h LYS 192 Cb 0.47 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 3ee2 h LYS 192 CO -0.27 0.57 -1.68 0.54 -2.27 0.00 0.00 179.45 176.34 3ee2 n ARG 193 N -3.55 0.63 -1.98 1.90 1.74 -0.56 -4.98 116.66 109.86 3ee2 n ARG 193 Ca -0.00 0.25 -0.37 0.00 -0.77 0.00 0.00 57.85 56.96 3ee2 n ARG 193 Cb 0.64 -1.77 0.03 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.69 3.04 0.22 5.56 1.70 0.54 -4.95 118.95 122.38 3ee2 s ARG 194 Ca -0.05 1.91 -0.32 0.00 -0.47 0.00 0.00 55.73 56.80 3ee2 s ARG 194 Cb 0.08 -2.02 -0.13 0.00 -0.57 0.00 0.00 34.95 32.31 3ee2 s ARG 194 CO 0.82 -1.17 1.53 -2.30 -1.08 0.00 0.00 175.30 173.10 3ee2 n PRO 195 N -1.41 2.28 -2.51 3.89 -0.02 -1.26 -4.93 135.00 131.04 3ee2 n PRO 195 Ca 0.13 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.99 3ee2 n PRO 195 Cb 0.49 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.11 4.07 0.07 -0.52 -0.21 -1.26 -4.95 119.66 116.98 3ee2 s GLN 196 Ca 0.71 1.30 0.02 0.00 0.02 0.00 0.00 55.36 57.41 3ee2 s GLN 196 Cb -0.61 -3.78 -0.03 0.00 1.00 0.00 0.00 33.01 29.58 3ee2 s GLN 196 CO 0.44 -0.91 -0.08 0.95 -2.12 0.00 0.00 175.29 173.58 3ee2 s THR 197 N 3.83 0.66 0.06 -0.19 -4.23 -1.26 -5.08 115.64 109.43 3ee2 s THR 197 Ca 0.51 -1.50 -0.27 0.00 -1.18 0.00 0.00 61.69 59.25 3ee2 s THR 197 Cb -0.16 -1.15 -0.17 0.00 1.34 0.00 0.00 72.50 72.36 3ee2 s THR 197 CO 0.17 -0.60 1.56 0.50 -0.54 0.00 0.00 174.62 175.71 3ee2 h LYS 198 N 3.75 -0.40 -0.02 3.99 3.64 -1.94 -3.47 116.57 122.12 3ee2 h LYS 198 Ca -0.36 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3ee2 h LYS 198 Cb 1.18 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3ee2 h LYS 198 CO 0.52 -0.20 0.00 1.28 -2.27 0.00 0.00 179.45 178.78