#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek8 n ARG 41 N 0.00 0.66 0.00 -1.46 0.63 -1.26 -4.30 116.66 110.94 3ek8 n ARG 41 Ca 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3ek8 n ARG 41 Cb 0.00 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.30 3ek8 n ARG 41 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3ek8 n ARG 42 N -2.76 0.01 0.05 -0.14 -4.01 -1.26 0.03 116.66 108.58 3ek8 n ARG 42 Ca -0.23 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 56.60 3ek8 n ARG 42 Cb 1.01 -1.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.37 3ek8 n ARG 42 CO 0.00 0.00 0.00 0.87 -3.04 0.00 0.00 177.63 175.46 3ek8 h LYS 43 N 0.33 0.00 0.06 2.89 1.79 -2.00 -3.20 116.57 116.44 3ek8 h LYS 43 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ek8 h LYS 43 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ek8 h LYS 43 CO 0.00 0.29 -0.03 -1.49 -1.08 0.00 0.00 179.45 177.14 3ek8 h TRP 44 N 0.00 -0.07 -0.54 -1.35 4.06 -0.72 -3.04 115.95 114.29 3ek8 h TRP 44 Ca -0.13 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.88 3ek8 h TRP 44 Cb 1.52 0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 29.65 3ek8 h TRP 44 CO 0.00 0.43 0.24 -0.91 -3.56 0.00 0.00 178.44 174.64 3ek8 h ASN 45 N -0.63 0.31 0.35 -3.49 4.21 -1.72 0.67 115.58 115.29 3ek8 h ASN 45 Ca -0.01 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 3ek8 h ASN 45 Cb 0.54 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.73 3ek8 h ASN 45 CO 0.01 0.21 -0.26 0.50 -1.29 0.00 0.00 177.43 176.60 3ek8 h LYS 46 N 0.46 -0.57 0.00 0.81 3.64 -1.65 0.16 116.57 119.42 3ek8 h LYS 46 Ca 0.25 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3ek8 h LYS 46 Cb 0.22 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ek8 h LYS 46 CO -0.21 -0.38 -0.14 1.79 -2.27 0.00 0.00 179.45 178.24 3ek8 h THR 47 N -0.59 0.33 0.49 1.00 1.35 -1.46 -1.39 112.91 112.63 3ek8 h THR 47 Ca -0.05 -0.94 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 3ek8 h THR 47 Cb 0.49 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3ek8 h THR 47 CO 0.02 0.13 -0.23 1.23 -0.25 0.00 0.00 175.52 176.42 3ek8 h GLY 48 N 2.28 -0.68 1.97 5.82 0.00 0.55 -2.42 103.07 110.58 3ek8 h GLY 48 Ca -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 3ek8 h GLY 48 CO 0.02 -0.25 -0.04 0.45 0.00 0.00 0.00 176.54 176.72 3ek8 h HIS 49 N -0.71 0.04 0.00 5.60 -0.00 -0.24 -0.05 115.15 119.80 3ek8 h HIS 49 Ca -0.07 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.21 3ek8 h HIS 49 Cb 0.53 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 3ek8 h HIS 49 CO -0.03 0.09 -0.43 0.00 -0.00 0.00 0.00 177.93 177.56 3ek8 h ALA 50 N 1.92 1.25 0.17 2.45 0.00 -1.13 0.96 119.26 124.88 3ek8 h ALA 50 Ca 0.01 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.21 3ek8 h ALA 50 Cb 0.11 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ek8 h ALA 50 CO 0.01 0.54 -1.53 0.28 0.00 0.00 0.00 179.25 178.54 3ek8 h VAL 51 N 0.00 1.18 -0.92 0.00 2.07 -0.85 -3.08 116.25 114.66 3ek8 h VAL 51 Ca -0.00 -2.74 0.06 0.00 0.82 0.00 0.00 66.70 64.84 3ek8 h VAL 51 Cb 0.78 2.86 -0.06 0.00 -1.52 0.00 0.00 31.29 33.35 3ek8 h VAL 51 CO 0.06 0.84 0.58 -0.09 0.02 0.00 0.00 177.57 178.97 3ek8 h ARG 52 N 0.10 1.02 -0.33 1.57 2.43 -0.82 -0.91 114.38 117.45 3ek8 h ARG 52 Ca -0.26 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 3ek8 h ARG 52 Cb 2.07 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 3ek8 h ARG 52 CO 0.20 0.68 0.10 0.00 -1.51 0.00 0.00 179.97 179.44 3ek8 h ALA 53 N 1.43 0.43 -0.21 2.80 0.00 -0.84 -1.20 119.26 121.66 3ek8 h ALA 53 Ca 0.40 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3ek8 h ALA 53 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ek8 h ALA 53 CO -0.17 0.08 -0.31 0.82 0.00 0.00 0.00 179.25 179.66 3ek8 h ILE 54 N 0.38 1.28 -0.33 0.00 2.04 -1.43 -0.64 117.51 118.81 3ek8 h ILE 54 Ca 0.11 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.68 3ek8 h ILE 54 Cb 0.26 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 3ek8 h ILE 54 CO -0.00 0.42 -0.33 1.23 0.00 0.00 0.00 178.15 179.47 3ek8 h GLY 55 N 1.07 -0.33 0.96 5.37 0.00 -0.86 -1.78 103.07 107.50 3ek8 h GLY 55 Ca 0.05 0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 3ek8 h GLY 55 CO 0.06 -0.21 -0.07 -0.09 0.00 0.00 0.00 176.54 176.23 3ek8 h ARG 56 N -0.30 -0.17 0.00 4.80 1.12 -0.38 -2.45 114.38 117.01 3ek8 h ARG 56 Ca 0.15 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3ek8 h ARG 56 Cb 0.54 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 3ek8 h ARG 56 CO -0.50 -0.11 0.00 1.28 -3.11 0.00 0.00 179.97 177.53 3ek8 n LEU 57 N -5.18 0.65 0.04 3.80 4.77 -0.33 -2.03 117.00 118.73 3ek8 n LEU 57 Ca -0.08 0.71 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 3ek8 n LEU 57 Cb 0.10 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 3ek8 n LEU 57 CO 0.33 -0.71 -0.24 0.28 -1.33 0.00 0.00 177.39 175.71 3ek8 h SER 58 N 0.00 0.00 -2.47 -1.43 0.02 -0.86 -3.40 113.55 105.41 3ek8 h SER 58 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 3ek8 h SER 58 Cb 0.23 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.84 3ek8 h SER 58 CO 0.00 0.53 0.06 -0.94 -1.14 0.00 0.00 176.83 175.33 3ek8 s SER 59 N -5.77 4.80 -0.34 3.07 1.04 -0.86 -5.08 113.70 110.56 3ek8 s SER 59 Ca -0.02 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.30 3ek8 s SER 59 Cb 0.09 -0.50 0.10 0.00 0.10 0.00 0.00 66.02 65.80 3ek8 s SER 59 CO 0.81 -1.52 0.05 -0.76 0.98 0.00 0.00 173.24 172.80 3ek8 s LEU 60 N -4.98 4.67 0.00 2.42 1.43 -1.26 -4.97 118.68 115.98 3ek8 s LEU 60 Ca 0.62 -2.02 0.15 0.00 -1.03 0.00 0.00 54.13 51.85 3ek8 s LEU 60 Cb -0.08 -1.66 0.10 0.00 0.03 0.00 0.00 46.19 44.58 3ek8 s LEU 60 CO 0.42 -0.38 0.96 -0.62 0.23 0.00 0.00 176.35 176.95 3ek8 n GLU 61 N 4.34 1.25 -2.89 1.70 -0.58 -1.26 -4.62 120.64 118.57 3ek8 n GLU 61 Ca 0.00 -1.31 -0.21 0.00 -0.42 0.00 0.00 57.16 55.23 3ek8 n GLU 61 Cb 0.42 -1.28 0.07 0.00 -0.57 0.00 0.00 31.44 30.08 3ek8 n GLU 61 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3ek8 s ASN 62 N -1.37 4.90 -0.63 1.62 0.01 -1.26 -4.79 114.94 113.42 3ek8 s ASN 62 Ca 0.17 -0.67 -0.21 0.00 -0.71 0.00 0.00 52.86 51.44 3ek8 s ASN 62 Cb 0.13 0.14 0.09 0.00 0.41 0.00 0.00 41.25 42.01 3ek8 s ASN 62 CO 0.22 -1.47 0.85 -0.69 -1.51 0.00 0.00 177.10 174.50 3ek8 s VAL 63 N -2.80 4.55 -0.16 1.60 1.01 -0.14 -4.56 120.40 119.91 3ek8 s VAL 63 Ca 0.63 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 3ek8 s VAL 63 Cb -0.06 -4.60 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 3ek8 s VAL 63 CO 0.40 -1.31 0.86 -0.31 0.00 0.00 0.00 175.10 174.74 3ek8 s TYR 64 N 3.44 3.44 -0.04 5.22 2.02 -0.96 -0.13 117.35 130.33 3ek8 s TYR 64 Ca 0.17 1.32 0.05 0.00 -0.37 0.00 0.00 57.07 58.24 3ek8 s TYR 64 Cb -0.20 -3.04 -0.02 0.00 -0.40 0.00 0.00 41.96 38.30 3ek8 s TYR 64 CO 0.08 -0.23 -0.19 0.42 -1.57 0.00 0.00 175.55 174.06 3ek8 s ILE 65 N 2.09 2.64 0.04 2.71 1.01 0.31 -1.91 121.20 128.09 3ek8 s ILE 65 Ca 0.40 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3ek8 s ILE 65 Cb -0.17 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3ek8 s ILE 65 CO 0.13 0.58 -0.06 -0.04 0.00 0.00 0.00 174.94 175.55 3ek8 s MET 66 N -0.60 0.51 0.49 2.79 -1.94 -0.18 -2.63 119.30 117.73 3ek8 s MET 66 Ca 0.09 -0.79 -0.24 0.00 -1.71 0.00 0.00 55.69 53.04 3ek8 s MET 66 Cb -0.11 -0.17 -0.07 0.00 2.01 0.00 0.00 34.83 36.49 3ek8 s MET 66 CO 0.00 0.01 1.37 0.00 -0.01 0.00 0.00 175.02 176.40 3ek8 n ALA 67 N 1.31 1.72 -3.69 3.03 0.00 -1.21 -0.71 120.51 120.96 3ek8 n ALA 67 Ca -0.22 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 3ek8 n ALA 67 Cb 0.55 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.52 3ek8 n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ek8 s ASP 68 N -0.67 3.60 0.21 0.00 -1.08 -0.24 -4.46 116.67 114.03 3ek8 s ASP 68 Ca 0.66 -2.55 -0.05 0.00 -0.52 0.00 0.00 52.55 50.08 3ek8 s ASP 68 Cb -0.44 -0.97 0.17 0.00 -1.46 0.00 0.00 42.92 40.22 3ek8 s ASP 68 CO 0.54 -0.28 1.63 0.50 0.52 0.00 0.00 175.17 178.08 3ek8 h LYS 69 N 6.80 0.82 -0.87 4.34 1.63 -1.95 -0.69 116.57 126.65 3ek8 h LYS 69 Ca -0.01 -0.32 0.12 0.00 -0.85 0.00 0.00 60.65 59.59 3ek8 h LYS 69 Cb 0.93 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.44 3ek8 h LYS 69 CO 0.46 0.94 0.49 1.96 -3.45 0.00 0.00 179.45 179.85 3ek8 h GLN 70 N 0.72 0.74 -0.60 1.90 4.20 -1.95 0.09 115.11 120.21 3ek8 h GLN 70 Ca 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3ek8 h GLN 70 Cb 0.71 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3ek8 h GLN 70 CO 0.05 0.49 0.00 1.63 -0.67 0.00 0.00 178.83 180.33 3ek8 n LYS 71 N -4.77 2.51 -4.03 1.46 4.76 -1.14 -4.95 118.16 112.00 3ek8 n LYS 71 Ca 0.16 -2.34 -0.27 0.00 -2.87 0.00 0.00 58.31 53.00 3ek8 n LYS 71 Cb 0.35 -1.51 -0.04 0.00 -1.84 0.00 0.00 35.03 31.99 3ek8 n LYS 71 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3ek8 n ASN 72 N 1.43 -0.07 0.00 4.39 5.15 0.02 -4.62 115.26 121.55 3ek8 n ASN 72 Ca 0.22 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 3ek8 n ASN 72 Cb 0.57 -2.74 0.00 0.00 -0.53 0.00 0.00 39.78 37.08 3ek8 n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ek8 n GLY 73 N -2.10 4.00 3.10 8.20 0.00 -0.30 -4.31 105.19 113.78 3ek8 n GLY 73 Ca -0.31 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 3ek8 n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ek8 s ILE 74 N -0.07 0.60 0.31 -0.61 -4.36 -1.02 -1.08 121.20 114.97 3ek8 s ILE 74 Ca 0.00 -1.34 0.10 0.00 -0.26 0.00 0.00 60.65 59.14 3ek8 s ILE 74 Cb 0.00 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 3ek8 s ILE 74 CO 0.00 -0.53 -0.02 -1.59 0.24 0.00 0.00 174.94 173.05 3ek8 s LYS 75 N -2.27 2.09 -0.06 0.37 -2.85 0.12 -1.62 119.74 115.52 3ek8 s LYS 75 Ca -0.03 -1.66 -0.14 0.00 -1.00 0.00 0.00 55.97 53.13 3ek8 s LYS 75 Cb -0.05 -1.97 0.03 0.00 -2.06 0.00 0.00 37.83 33.77 3ek8 s LYS 75 CO -0.01 0.22 0.33 0.00 0.10 0.00 0.00 175.35 175.98 3ek8 s ALA 76 N -2.47 -0.82 -0.03 0.59 0.00 -0.19 -1.01 121.76 117.83 3ek8 s ALA 76 Ca 0.33 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 3ek8 s ALA 76 Cb -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3ek8 s ALA 76 CO 0.19 -0.23 0.25 0.54 0.00 0.00 0.00 175.76 176.51 3ek8 s ASN 77 N -0.80 -0.15 0.03 0.00 2.20 -0.80 0.02 114.94 115.44 3ek8 s ASN 77 Ca -0.09 0.12 -0.28 0.00 -0.94 0.00 0.00 52.86 51.67 3ek8 s ASN 77 Cb -0.04 0.34 0.09 0.00 -2.00 0.00 0.00 41.25 39.65 3ek8 s ASN 77 CO 0.03 -0.34 0.93 0.72 -2.94 0.00 0.00 177.10 175.50 3ek8 s PHE 78 N -0.98 -0.27 -0.10 1.54 -0.12 -1.05 -2.25 117.98 114.74 3ek8 s PHE 78 Ca -0.11 0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 56.87 3ek8 s PHE 78 Cb -0.05 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 3ek8 s PHE 78 CO 0.03 -0.61 -0.07 0.21 -0.05 0.00 0.00 175.22 174.73 3ek8 s LYS 79 N -3.13 3.08 -0.06 1.99 2.20 -1.26 -0.15 119.74 122.41 3ek8 s LYS 79 Ca 0.07 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3ek8 s LYS 79 Cb -0.01 -2.68 -0.02 0.00 -1.51 0.00 0.00 37.83 33.61 3ek8 s LYS 79 CO -0.06 0.48 -0.16 0.42 -0.36 0.00 0.00 175.35 175.67 3ek8 s ILE 80 N -0.32 2.86 -0.30 5.43 -1.09 0.29 -4.87 121.20 123.21 3ek8 s ILE 80 Ca 0.04 -0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 57.60 3ek8 s ILE 80 Cb -0.13 -2.12 -0.01 0.00 -1.58 0.00 0.00 42.46 38.63 3ek8 s ILE 80 CO 0.02 0.58 0.12 -0.13 -1.23 0.00 0.00 174.94 174.30 3ek8 s ARG 81 N -0.50 3.31 -0.36 2.79 0.52 -1.26 0.25 118.95 123.70 3ek8 s ARG 81 Ca 0.06 -0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 3ek8 s ARG 81 Cb -0.12 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.90 3ek8 s ARG 81 CO 0.01 -0.39 0.20 -1.01 0.02 0.00 0.00 175.30 174.14 3ek8 s HIS 82 N 1.58 3.23 0.12 -0.53 3.76 0.23 -4.93 115.29 118.75 3ek8 s HIS 82 Ca 0.04 -0.83 -0.34 0.00 -0.15 0.00 0.00 55.06 53.78 3ek8 s HIS 82 Cb -0.17 -2.44 -0.14 0.00 1.11 0.00 0.00 32.58 30.94 3ek8 s HIS 82 CO 0.05 -0.59 1.57 0.09 -0.85 0.00 0.00 174.74 175.01 3ek8 n ASN 83 N 5.01 2.92 -4.75 1.40 3.02 -1.26 0.25 115.26 121.84 3ek8 n ASN 83 Ca -0.12 1.08 -0.39 0.00 -0.03 0.00 0.00 54.58 55.12 3ek8 n ASN 83 Cb 0.47 -1.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.20 3ek8 n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ek8 s ILE 84 N 1.15 4.97 -0.43 2.41 1.01 -0.78 -1.69 121.20 127.84 3ek8 s ILE 84 Ca 0.81 1.23 -0.39 0.00 0.00 0.00 0.00 60.65 62.29 3ek8 s ILE 84 Cb -0.72 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 37.65 3ek8 s ILE 84 CO 0.41 0.38 1.47 1.21 0.00 0.00 0.00 174.94 178.41 3ek8 n GLU 85 N 2.99 0.00 0.00 2.79 4.07 0.66 -2.65 120.64 128.50 3ek8 n GLU 85 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 3ek8 n GLU 85 Cb 0.51 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 3ek8 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3ek8 n ASP 86 N 4.08 0.00 -4.01 4.31 8.00 -1.26 -4.89 116.55 122.77 3ek8 n ASP 86 Ca 0.31 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.73 3ek8 n ASP 86 Cb -0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 3ek8 n ASP 86 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ek8 s ARG 87 N 0.00 0.72 0.00 -1.24 0.52 -1.09 -5.14 118.95 112.72 3ek8 s ARG 87 Ca 0.00 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 3ek8 s ARG 87 Cb 0.00 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.73 3ek8 s ARG 87 CO 0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.55 3ek8 n GLY 88 N 0.04 -1.00 3.07 -3.53 0.00 -1.26 -4.27 105.19 98.23 3ek8 n GLY 88 Ca -0.14 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 3ek8 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek8 s VAL 89 N -1.80 0.65 -0.25 1.61 0.11 -1.26 -1.86 120.40 117.59 3ek8 s VAL 89 Ca 0.00 -0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 58.03 3ek8 s VAL 89 Cb 0.00 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 3ek8 s VAL 89 CO 0.00 -0.26 -0.02 -1.58 -3.33 0.00 0.00 175.10 169.91 3ek8 s GLN 90 N -1.36 3.02 0.05 1.54 2.00 0.14 -4.83 119.66 120.22 3ek8 s GLN 90 Ca -0.06 -0.87 -0.10 0.00 -2.00 0.00 0.00 55.36 52.33 3ek8 s GLN 90 Cb -0.09 -3.09 -0.06 0.00 0.80 0.00 0.00 33.01 30.57 3ek8 s GLN 90 CO 0.01 -0.37 0.38 -0.51 -0.50 0.00 0.00 175.29 174.30 3ek8 s LEU 91 N 1.41 4.38 -0.21 3.68 1.43 -1.26 0.74 118.68 128.85 3ek8 s LEU 91 Ca 0.02 0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 3ek8 s LEU 91 Cb -0.16 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.29 3ek8 s LEU 91 CO -0.02 0.22 0.01 0.00 0.23 0.00 0.00 176.35 176.79 3ek8 s ALA 92 N -1.31 1.32 -0.16 4.21 0.00 0.14 -2.13 121.76 123.82 3ek8 s ALA 92 Ca 0.30 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 3ek8 s ALA 92 Cb -0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3ek8 s ALA 92 CO 0.16 -1.19 0.64 0.71 0.00 0.00 0.00 175.76 176.09 3ek8 s TYR 93 N 1.71 3.43 -0.09 0.00 1.51 0.06 -0.54 117.35 123.42 3ek8 s TYR 93 Ca -0.02 1.01 -0.02 0.00 -1.01 0.00 0.00 57.07 57.03 3ek8 s TYR 93 Cb -0.18 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.85 3ek8 s TYR 93 CO -0.07 -0.09 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.25 3ek8 s HIS 94 N 1.57 3.11 -0.06 2.71 3.76 0.78 -0.44 115.29 126.73 3ek8 s HIS 94 Ca 0.31 0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.37 3ek8 s HIS 94 Cb -0.16 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.73 3ek8 s HIS 94 CO 0.12 0.38 -0.17 0.71 -0.85 0.00 0.00 174.74 174.93 3ek8 s TYR 95 N -0.71 1.82 0.04 1.40 2.02 -0.57 -2.53 117.35 118.81 3ek8 s TYR 95 Ca 0.11 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 3ek8 s TYR 95 Cb -0.12 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3ek8 s TYR 95 CO 0.02 -0.24 -0.08 -1.14 -1.57 0.00 0.00 175.55 172.55 3ek8 s GLN 96 N 0.23 0.54 -0.09 -0.62 0.74 0.10 -1.64 119.66 118.91 3ek8 s GLN 96 Ca -0.09 -0.68 -0.06 0.00 0.05 0.00 0.00 55.36 54.58 3ek8 s GLN 96 Cb -0.14 -0.35 0.04 0.00 1.10 0.00 0.00 33.01 33.66 3ek8 s GLN 96 CO 0.04 0.07 0.23 -1.14 -0.55 0.00 0.00 175.29 173.94 3ek8 s GLN 97 N -1.36 0.23 -0.04 1.67 -0.44 0.41 -1.02 119.66 119.10 3ek8 s GLN 97 Ca -0.08 0.43 0.05 0.00 -2.50 0.00 0.00 55.36 53.26 3ek8 s GLN 97 Cb -0.09 -0.02 -0.00 0.00 -1.64 0.00 0.00 33.01 31.26 3ek8 s GLN 97 CO 0.00 -0.11 -0.18 -0.80 0.50 0.00 0.00 175.29 174.71 3ek8 s ASN 98 N 0.76 2.24 -0.02 6.67 -0.87 -0.64 -0.43 114.94 122.65 3ek8 s ASN 98 Ca -0.05 -0.37 0.04 0.00 -1.57 0.00 0.00 52.86 50.91 3ek8 s ASN 98 Cb -0.07 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.25 40.55 3ek8 s ASN 98 CO -0.05 0.16 -0.13 -0.89 -2.57 0.00 0.00 177.10 173.63 3ek8 s THR 99 N 0.00 1.05 0.61 1.60 2.01 -0.20 -2.42 115.64 118.29 3ek8 s THR 99 Ca -0.03 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 3ek8 s THR 99 Cb -0.12 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3ek8 s THR 99 CO 0.02 0.31 1.13 -2.84 -0.69 0.00 0.00 174.62 172.55 3ek8 s PRO 100 N -0.07 3.01 -0.05 4.92 0.02 -1.26 0.45 135.00 142.01 3ek8 s PRO 100 Ca 0.01 1.52 -0.17 0.00 0.02 0.00 0.00 61.00 62.38 3ek8 s PRO 100 Cb -0.08 -1.97 -0.31 0.00 0.02 0.00 0.00 34.50 32.17 3ek8 s PRO 100 CO 0.00 -1.11 0.78 0.82 -0.33 0.00 0.00 177.00 177.16 3ek8 h ILE 101 N 0.55 1.24 -2.82 2.83 2.04 -0.47 -3.44 117.51 117.44 3ek8 h ILE 101 Ca -0.48 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 62.85 3ek8 h ILE 101 Cb 1.26 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 3ek8 h ILE 101 CO 0.55 0.75 0.00 0.61 0.00 0.00 0.00 178.15 180.06 3ek8 n GLY 102 N 1.73 0.18 0.00 5.37 0.00 -1.26 -5.03 105.19 106.18 3ek8 n GLY 102 Ca -0.19 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.02 3ek8 n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ek8 n ASP 103 N -2.91 1.93 -4.67 1.61 9.92 -1.26 -5.02 116.55 116.15 3ek8 n ASP 103 Ca 0.00 -0.20 -0.41 0.00 -0.53 0.00 0.00 54.79 53.65 3ek8 n ASP 103 Cb 0.00 1.37 0.01 0.00 -0.64 0.00 0.00 41.12 41.86 3ek8 n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ek8 n GLY 104 N 1.70 0.27 3.52 0.44 0.00 -1.26 -4.88 105.19 105.00 3ek8 n GLY 104 Ca -0.01 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3ek8 n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ek8 n PRO 105 N -0.01 0.57 -4.35 1.61 -0.04 -1.26 -5.00 135.00 126.52 3ek8 n PRO 105 Ca 0.08 0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 63.59 3ek8 n PRO 105 Cb 0.40 -1.92 -0.10 0.00 -0.04 0.00 0.00 33.50 31.84 3ek8 n PRO 105 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ek8 s VAL 106 N -1.71 1.31 -0.17 0.52 -7.23 -1.26 -4.83 120.40 107.03 3ek8 s VAL 106 Ca 0.71 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 58.62 3ek8 s VAL 106 Cb -0.40 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3ek8 s VAL 106 CO 0.52 -0.40 0.47 -0.76 -0.31 0.00 0.00 175.10 174.62 3ek8 s LEU 107 N -3.33 4.20 -0.29 1.32 1.43 -1.26 -5.06 118.68 115.69 3ek8 s LEU 107 Ca 0.27 0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 53.99 3ek8 s LEU 107 Cb 0.04 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.62 3ek8 s LEU 107 CO 0.08 -0.08 0.07 -0.76 0.23 0.00 0.00 176.35 175.90 3ek8 s LEU 108 N 1.14 3.80 0.52 1.79 1.43 -1.26 -3.96 118.68 122.14 3ek8 s LEU 108 Ca 0.23 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 3ek8 s LEU 108 Cb -0.15 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3ek8 s LEU 108 CO 0.09 -0.18 0.89 -2.16 0.23 0.00 0.00 176.35 175.22 3ek8 s PRO 109 N 1.50 3.65 0.76 1.29 0.04 -1.26 -4.93 135.00 136.04 3ek8 s PRO 109 Ca 0.03 0.52 -0.11 0.00 0.04 0.00 0.00 61.00 61.47 3ek8 s PRO 109 Cb -0.17 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.17 3ek8 s PRO 109 CO 0.02 -0.30 1.08 -0.51 0.04 0.00 0.00 177.00 177.33 3ek8 s ASP 110 N -3.84 4.72 0.23 6.66 1.01 -1.26 -3.33 116.67 120.85 3ek8 s ASP 110 Ca 0.52 1.59 -0.32 0.00 0.71 0.00 0.00 52.55 55.05 3ek8 s ASP 110 Cb -0.10 -2.37 -0.13 0.00 1.01 0.00 0.00 42.92 41.33 3ek8 s ASP 110 CO 0.44 -1.86 1.49 0.59 0.21 0.00 0.00 175.17 176.03 3ek8 n ASN 111 N -3.39 3.06 -2.62 0.27 4.13 -1.26 -4.78 115.26 110.66 3ek8 n ASN 111 Ca 0.08 1.13 -0.05 0.00 1.68 0.00 0.00 54.58 57.41 3ek8 n ASN 111 Cb 0.54 -1.46 0.02 0.00 -1.54 0.00 0.00 39.78 37.34 3ek8 n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ek8 n HIS 112 N 2.32 -1.74 -4.20 3.10 1.44 -1.08 -4.75 115.22 110.31 3ek8 n HIS 112 Ca 0.12 -1.32 -0.12 0.00 -2.01 0.00 0.00 57.72 54.40 3ek8 n HIS 112 Cb 0.32 0.65 -0.10 0.00 0.12 0.00 0.00 29.99 30.98 3ek8 n HIS 112 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3ek8 s TYR 113 N -3.19 1.08 0.12 -1.40 -0.85 -0.07 -0.53 117.35 112.50 3ek8 s TYR 113 Ca 0.15 -1.20 0.06 0.00 -0.52 0.00 0.00 57.07 55.56 3ek8 s TYR 113 Cb -0.03 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.67 3ek8 s TYR 113 CO 0.08 -0.44 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.13 3ek8 s LEU 114 N -3.13 3.31 -0.16 -3.49 1.43 0.81 -1.72 118.68 115.73 3ek8 s LEU 114 Ca 0.28 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3ek8 s LEU 114 Cb 0.07 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.28 3ek8 s LEU 114 CO 0.05 0.15 -0.17 -0.55 0.23 0.00 0.00 176.35 176.06 3ek8 s SER 115 N -2.51 2.90 -0.05 2.29 0.15 0.18 -0.97 113.70 115.69 3ek8 s SER 115 Ca 0.25 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 3ek8 s SER 115 Cb -0.11 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.86 3ek8 s SER 115 CO 0.17 -0.03 0.00 -0.69 1.20 0.00 0.00 173.24 173.89 3ek8 s VAL 116 N 1.40 4.26 -0.22 4.45 1.01 -1.26 -2.16 120.40 127.87 3ek8 s VAL 116 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3ek8 s VAL 116 Cb -0.13 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.47 3ek8 s VAL 116 CO -0.12 0.51 -0.05 -1.10 0.00 0.00 0.00 175.10 174.34 3ek8 s GLN 117 N -1.16 1.59 -0.08 2.72 -0.21 0.08 -4.99 119.66 117.62 3ek8 s GLN 117 Ca 0.16 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 3ek8 s GLN 117 Cb -0.11 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.36 3ek8 s GLN 117 CO 0.06 -0.57 -0.01 -1.12 -2.12 0.00 0.00 175.29 171.52 3ek8 s SER 118 N 1.44 5.14 -0.12 5.90 0.01 -1.26 -0.70 113.70 124.11 3ek8 s SER 118 Ca -0.05 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.33 3ek8 s SER 118 Cb -0.18 -1.42 0.02 0.00 0.21 0.00 0.00 66.02 64.65 3ek8 s SER 118 CO -0.07 0.37 -0.11 -0.75 0.41 0.00 0.00 173.24 173.10 3ek8 s LYS 119 N -0.89 1.87 -0.17 12.44 2.20 0.31 -4.97 119.74 130.52 3ek8 s LYS 119 Ca 0.13 -0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.28 3ek8 s LYS 119 Cb -0.11 -1.77 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 3ek8 s LYS 119 CO 0.02 -0.21 0.05 -0.51 -0.36 0.00 0.00 175.35 174.35 3ek8 s LEU 120 N 1.46 3.78 0.31 5.43 1.02 -1.26 -0.59 118.68 128.83 3ek8 s LEU 120 Ca 0.02 0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.28 3ek8 s LEU 120 Cb -0.13 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 3ek8 s LEU 120 CO -0.07 0.20 0.32 -0.94 0.02 0.00 0.00 176.35 175.88 3ek8 s SER 121 N 0.23 1.15 0.04 2.29 1.04 0.93 -4.28 113.70 115.11 3ek8 s SER 121 Ca 0.04 -1.59 0.05 0.00 0.48 0.00 0.00 55.95 54.93 3ek8 s SER 121 Cb -0.12 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3ek8 s SER 121 CO 0.01 -1.10 -0.10 -0.54 0.98 0.00 0.00 173.24 172.48 3ek8 s LYS 122 N -3.45 2.34 -0.44 4.02 -0.14 -1.26 -1.01 119.74 119.79 3ek8 s LYS 122 Ca 0.37 -0.86 -0.20 0.00 -1.36 0.00 0.00 55.97 53.91 3ek8 s LYS 122 Cb 0.02 -2.38 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 3ek8 s LYS 122 CO 0.22 0.56 0.61 0.34 -0.76 0.00 0.00 175.35 176.33 3ek8 s ASP 123 N -1.65 6.30 0.30 2.83 -1.08 -1.26 -4.93 116.67 117.18 3ek8 s ASP 123 Ca 0.18 -0.40 0.23 0.00 -0.52 0.00 0.00 52.55 52.05 3ek8 s ASP 123 Cb -0.11 -2.31 1.08 0.00 -1.46 0.00 0.00 42.92 40.13 3ek8 s ASP 123 CO 0.09 -0.75 1.71 -0.81 0.52 0.00 0.00 175.17 175.92 3ek8 n PRO 124 N 6.17 0.18 -0.11 4.34 -0.04 -1.26 -0.37 135.00 143.92 3ek8 n PRO 124 Ca -0.02 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 3ek8 n PRO 124 Cb 0.48 -1.93 0.32 0.00 -0.04 0.00 0.00 33.50 32.33 3ek8 n PRO 124 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ek8 n ASN 125 N -2.28 1.82 -4.46 3.54 3.02 -1.26 -4.92 115.26 110.72 3ek8 n ASN 125 Ca 0.01 -1.79 -0.37 0.00 -0.03 0.00 0.00 54.58 52.40 3ek8 n ASN 125 Cb 0.16 -0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.06 3ek8 n ASN 125 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ek8 s GLU 126 N -1.71 3.65 0.01 3.52 2.56 0.50 -4.96 118.70 122.28 3ek8 s GLU 126 Ca 0.31 -0.48 -0.18 0.00 0.00 0.00 0.00 54.97 54.61 3ek8 s GLU 126 Cb 0.17 -3.39 -0.31 0.00 2.00 0.00 0.00 34.13 32.60 3ek8 s GLU 126 CO 0.24 -0.21 1.01 0.87 -0.56 0.00 0.00 175.26 176.61 3ek8 h LYS 127 N 8.26 0.48 -7.29 4.30 1.79 -1.91 -3.47 116.57 118.73 3ek8 h LYS 127 Ca -0.37 -0.71 -0.47 0.00 -2.18 0.00 0.00 60.65 56.92 3ek8 h LYS 127 Cb 1.17 0.25 0.17 0.00 -1.58 0.00 0.00 32.23 32.24 3ek8 h LYS 127 CO 0.58 1.32 0.18 1.03 -1.08 0.00 0.00 179.45 181.48 3ek8 s ARG 128 N -2.74 0.57 -0.26 3.15 0.52 -1.26 -4.97 118.95 113.97 3ek8 s ARG 128 Ca -0.11 0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 55.66 3ek8 s ARG 128 Cb 0.03 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 3ek8 s ARG 128 CO 0.89 -2.72 1.32 0.34 0.02 0.00 0.00 175.30 175.15 3ek8 s ASP 129 N -3.13 6.71 0.25 0.23 -1.08 -1.26 -4.98 116.67 113.41 3ek8 s ASP 129 Ca 0.65 1.36 0.00 0.00 -0.52 0.00 0.00 52.55 54.05 3ek8 s ASP 129 Cb -0.20 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.69 3ek8 s ASP 129 CO 0.59 -1.02 0.23 -1.38 0.52 0.00 0.00 175.17 174.11 3ek8 s HIS 130 N 4.24 1.26 -0.14 -5.34 -3.43 -1.26 -0.08 115.29 110.54 3ek8 s HIS 130 Ca 0.57 -1.40 -0.05 0.00 -0.80 0.00 0.00 55.06 53.38 3ek8 s HIS 130 Cb -0.19 -0.50 0.07 0.00 -1.43 0.00 0.00 32.58 30.53 3ek8 s HIS 130 CO 0.22 -0.77 0.29 1.41 -2.00 0.00 0.00 174.74 173.89 3ek8 s MET 131 N -3.86 0.19 -0.13 -0.38 1.75 -0.14 -4.97 119.30 111.76 3ek8 s MET 131 Ca 0.37 0.80 -0.16 0.00 -1.25 0.00 0.00 55.69 55.45 3ek8 s MET 131 Cb 0.04 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 3ek8 s MET 131 CO 0.17 -0.27 0.40 0.08 -0.65 0.00 0.00 175.02 174.75 3ek8 s VAL 132 N 2.40 5.23 -0.10 10.11 1.01 -0.18 -1.03 120.40 137.84 3ek8 s VAL 132 Ca 0.00 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.79 3ek8 s VAL 132 Cb -0.12 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3ek8 s VAL 132 CO -0.09 0.36 -0.15 -0.22 0.00 0.00 0.00 175.10 175.00 3ek8 s LEU 133 N 0.47 1.73 -0.12 3.92 2.96 0.97 -0.05 118.68 128.57 3ek8 s LEU 133 Ca 0.22 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3ek8 s LEU 133 Cb -0.14 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 3ek8 s LEU 133 CO 0.08 0.03 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.71 3ek8 s LEU 134 N 0.88 2.25 -0.03 -0.68 2.96 0.24 -1.34 118.68 122.96 3ek8 s LEU 134 Ca -0.09 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 3ek8 s LEU 134 Cb -0.15 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.08 3ek8 s LEU 134 CO 0.00 0.13 0.07 -0.70 -1.32 0.00 0.00 176.35 174.54 3ek8 s GLU 135 N 0.52 0.05 -0.07 1.98 2.12 -0.31 0.11 118.70 123.10 3ek8 s GLU 135 Ca -0.13 0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.43 3ek8 s GLU 135 Cb -0.17 -0.10 -0.00 0.00 0.26 0.00 0.00 34.13 34.13 3ek8 s GLU 135 CO 0.05 -0.09 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.41 3ek8 s PHE 136 N 0.59 2.15 -0.07 5.30 0.40 0.12 -0.96 117.98 125.51 3ek8 s PHE 136 Ca -0.05 -0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 55.52 3ek8 s PHE 136 Cb -0.07 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 42.04 3ek8 s PHE 136 CO -0.02 -0.28 -0.00 0.08 0.70 0.00 0.00 175.22 175.69 3ek8 s VAL 137 N 0.18 0.40 -0.02 -0.44 1.01 -0.57 -0.74 120.40 120.23 3ek8 s VAL 137 Ca -0.10 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.04 3ek8 s VAL 137 Cb -0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3ek8 s VAL 137 CO 0.05 0.26 -0.22 -0.89 0.00 0.00 0.00 175.10 174.31 3ek8 s THR 138 N 1.93 1.73 0.31 3.92 2.01 -0.92 -1.22 115.64 123.41 3ek8 s THR 138 Ca 0.05 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 3ek8 s THR 138 Cb -0.12 -1.44 -0.10 0.00 0.01 0.00 0.00 72.50 70.85 3ek8 s THR 138 CO -0.05 0.49 0.92 0.00 -0.69 0.00 0.00 174.62 175.28 3ek8 s ALA 139 N -0.50 3.24 0.21 7.40 0.00 -0.05 -0.65 121.76 131.41 3ek8 s ALA 139 Ca 0.08 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 3ek8 s ALA 139 Cb -0.09 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3ek8 s ALA 139 CO -0.01 0.19 0.52 0.00 0.00 0.00 0.00 175.76 176.47 3ek8 n ALA 140 N 0.61 -1.24 0.00 0.00 0.00 -0.70 -4.49 120.51 114.69 3ek8 n ALA 140 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3ek8 n ALA 140 Cb 0.50 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.51 3ek8 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek8 n GLY 141 N -0.36 0.62 3.12 0.00 0.00 -1.26 -0.90 105.19 106.41 3ek8 n GLY 141 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3ek8 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek8 s ILE 142 N -2.00 1.98 0.58 -0.61 1.01 -1.26 -4.79 121.20 116.11 3ek8 s ILE 142 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 3ek8 s ILE 142 Cb 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3ek8 s ILE 142 CO 0.00 0.53 1.06 0.42 0.00 0.00 0.00 174.94 176.95 3ek8 s THR 143 N 1.15 3.75 -0.19 2.92 -4.23 -1.26 -4.78 115.64 113.00 3ek8 s THR 143 Ca 0.01 0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 61.10 3ek8 s THR 143 Cb -0.14 -3.37 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 3ek8 s THR 143 CO -0.09 -0.45 1.57 -0.76 -0.54 0.00 0.00 174.62 174.35 3ek8 s LEU 144 N -4.34 3.99 -0.30 4.79 1.43 -0.97 -5.07 118.68 118.21 3ek8 s LEU 144 Ca 0.65 1.69 -0.08 0.00 -1.03 0.00 0.00 54.13 55.36 3ek8 s LEU 144 Cb -0.17 -3.53 0.19 0.00 0.03 0.00 0.00 46.19 42.71 3ek8 s LEU 144 CO 0.34 -1.15 0.96 -0.69 0.23 0.00 0.00 176.35 176.05 3ek8 s VAL 159 N 4.80 -0.39 0.98 -1.59 1.01 -1.26 -5.14 120.40 118.81 3ek8 s VAL 159 Ca 0.69 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 3ek8 s VAL 159 Cb -0.25 -0.33 0.18 0.00 0.00 0.00 0.00 36.38 35.97 3ek8 s VAL 159 CO 0.27 0.00 1.16 -0.94 0.00 0.00 0.00 175.10 175.59 3ek8 s SER 160 N 2.79 2.88 0.13 3.32 1.04 -1.26 -4.97 113.70 117.63 3ek8 s SER 160 Ca 0.23 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.34 3ek8 s SER 160 Cb -0.03 -1.21 -0.06 0.00 0.10 0.00 0.00 66.02 64.82 3ek8 s SER 160 CO -0.22 -2.93 1.45 0.50 0.98 0.00 0.00 173.24 173.02 3ek8 h LYS 161 N -1.76 0.89 0.00 4.02 3.64 -1.92 -3.11 116.57 118.33 3ek8 h LYS 161 Ca -0.49 -0.49 -0.04 0.00 -1.27 0.00 0.00 60.65 58.36 3ek8 h LYS 161 Cb 1.31 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 3ek8 h LYS 161 CO 0.52 1.14 -0.18 0.78 -2.27 0.00 0.00 179.45 179.44 3ek8 h GLY 162 N 0.70 0.00 0.29 5.01 0.00 -1.76 -2.67 103.07 104.63 3ek8 h GLY 162 Ca 0.05 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.62 3ek8 h GLY 162 CO 0.10 0.00 0.61 -2.09 0.00 0.00 0.00 176.54 175.16 3ek8 h GLU 163 N 0.00 0.05 -0.23 4.80 4.57 -1.68 -0.15 114.58 121.94 3ek8 h GLU 163 Ca -0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3ek8 h GLU 163 Cb 0.59 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3ek8 h GLU 163 CO 0.02 0.03 -0.01 0.93 -1.18 0.00 0.00 179.01 178.81 3ek8 h GLU 164 N 0.05 0.33 0.00 1.92 5.08 -1.63 -2.69 114.58 117.65 3ek8 h GLU 164 Ca 0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3ek8 h GLU 164 Cb 1.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3ek8 h GLU 164 CO -0.03 0.37 0.00 1.28 -1.00 0.00 0.00 179.01 179.63 3ek8 n LEU 165 N -4.34 0.36 -0.80 1.33 4.77 -0.07 -3.35 117.00 114.89 3ek8 n LEU 165 Ca 0.00 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.66 3ek8 n LEU 165 Cb 0.20 -0.56 0.22 0.00 -2.33 0.00 0.00 43.42 40.96 3ek8 n LEU 165 CO 0.37 -0.46 0.68 0.49 -1.33 0.00 0.00 177.39 177.14 3ek8 n PHE 166 N -1.91 0.79 0.14 -1.77 3.01 -1.01 -4.70 117.46 112.01 3ek8 n PHE 166 Ca 0.02 -0.76 0.01 0.00 1.01 0.00 0.00 57.45 57.73 3ek8 n PHE 166 Cb 0.18 -0.23 0.16 0.00 -0.01 0.00 0.00 39.48 39.58 3ek8 n PHE 166 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3ek8 h THR 167 N 1.84 1.17 -1.96 4.37 1.35 -1.69 -3.36 112.91 114.62 3ek8 h THR 167 Ca 0.00 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 3ek8 h THR 167 Cb 1.22 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 3ek8 h THR 167 CO 0.15 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 3ek8 n GLY 168 N 0.60 3.95 3.65 5.82 0.00 -1.26 -4.72 105.19 113.23 3ek8 n GLY 168 Ca -0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3ek8 n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek8 s VAL 169 N 2.06 4.79 -0.14 1.61 1.01 -1.26 -4.39 120.40 124.08 3ek8 s VAL 169 Ca 0.00 1.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.60 3ek8 s VAL 169 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3ek8 s VAL 169 CO 0.00 -0.11 -0.01 -0.69 0.00 0.00 0.00 175.10 174.29 3ek8 s VAL 170 N 2.95 4.16 0.49 2.92 1.01 -0.25 -4.92 120.40 126.76 3ek8 s VAL 170 Ca 0.37 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 3ek8 s VAL 170 Cb -0.15 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 3ek8 s VAL 170 CO 0.07 0.51 1.11 -2.16 0.00 0.00 0.00 175.10 174.64 3ek8 s PRO 171 N 0.07 3.64 -0.00 2.72 0.04 -1.26 0.15 135.00 140.35 3ek8 s PRO 171 Ca 0.01 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.70 3ek8 s PRO 171 Cb -0.13 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3ek8 s PRO 171 CO 0.02 -0.61 -0.15 0.42 0.04 0.00 0.00 177.00 176.72 3ek8 s ILE 172 N -1.74 1.21 -0.06 0.56 1.01 0.18 -1.84 121.20 120.52 3ek8 s ILE 172 Ca 0.68 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3ek8 s ILE 172 Cb -0.23 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.23 3ek8 s ILE 172 CO 0.28 0.30 -0.14 -0.22 0.00 0.00 0.00 174.94 175.16 3ek8 s LEU 173 N -0.46 1.76 -0.05 2.97 2.96 -0.56 -1.90 118.68 123.40 3ek8 s LEU 173 Ca 0.05 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3ek8 s LEU 173 Cb -0.06 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 3ek8 s LEU 173 CO -0.00 0.08 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.19 3ek8 s VAL 174 N 0.43 1.89 -0.15 1.68 1.01 0.24 -0.84 120.40 124.64 3ek8 s VAL 174 Ca -0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 3ek8 s VAL 174 Cb -0.14 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.70 3ek8 s VAL 174 CO 0.03 0.53 0.09 -0.70 0.00 0.00 0.00 175.10 175.05 3ek8 s GLU 175 N -0.14 0.05 -0.05 2.72 2.56 0.31 -0.26 118.70 123.90 3ek8 s GLU 175 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 54.97 54.96 3ek8 s GLU 175 Cb -0.13 -1.66 -0.00 0.00 2.00 0.00 0.00 34.13 34.33 3ek8 s GLU 175 CO 0.03 -0.63 -0.18 -1.17 -0.56 0.00 0.00 175.26 172.75 3ek8 s LEU 176 N 2.14 1.93 -0.08 2.70 0.20 0.29 -0.34 118.68 125.53 3ek8 s LEU 176 Ca 0.02 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.50 3ek8 s LEU 176 Cb -0.15 -1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 44.56 3ek8 s LEU 176 CO -0.08 0.16 -0.22 -1.81 -0.29 0.00 0.00 176.35 174.11 3ek8 s ASP 177 N 0.05 3.32 0.18 3.68 -0.00 -0.49 -1.02 116.67 122.38 3ek8 s ASP 177 Ca -0.05 -0.47 -0.02 0.00 -0.00 0.00 0.00 52.55 52.01 3ek8 s ASP 177 Cb -0.12 -1.14 -0.04 0.00 -0.00 0.00 0.00 42.92 41.62 3ek8 s ASP 177 CO 0.03 0.22 0.14 -0.83 -0.00 0.00 0.00 175.17 174.72 3ek8 s GLY 178 N 0.02 1.23 -0.28 0.21 0.00 0.02 -0.73 107.32 107.79 3ek8 s GLY 178 Ca -0.08 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.09 3ek8 s GLY 178 CO 0.05 -1.32 0.51 -0.35 0.00 0.00 0.00 173.10 172.00 3ek8 s ASP 179 N -3.12 -0.77 -0.27 1.64 -1.08 0.20 -1.70 116.67 111.57 3ek8 s ASP 179 Ca 0.33 0.32 0.02 0.00 -0.52 0.00 0.00 52.55 52.71 3ek8 s ASP 179 Cb 0.06 1.71 0.06 0.00 -1.46 0.00 0.00 42.92 43.30 3ek8 s ASP 179 CO 0.09 -0.30 -0.08 -0.69 0.52 0.00 0.00 175.17 174.71 3ek8 s VAL 180 N 2.73 2.29 -1.82 1.11 1.01 -0.72 0.12 120.40 125.11 3ek8 s VAL 180 Ca 0.14 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.46 3ek8 s VAL 180 Cb -0.13 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3ek8 s VAL 180 CO -0.23 -0.08 0.00 0.59 0.00 0.00 0.00 175.10 175.38 3ek8 n ASN 181 N 4.44 -5.90 0.00 3.32 4.13 0.55 -1.60 115.26 120.20 3ek8 n ASN 181 Ca -0.13 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.15 3ek8 n ASN 181 Cb 0.42 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 33.73 3ek8 n ASN 181 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ek8 n GLY 182 N -0.98 2.87 3.56 7.41 0.00 -1.26 -5.00 105.19 111.80 3ek8 n GLY 182 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3ek8 n GLY 182 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ek8 s HIS 183 N -1.97 1.83 0.36 1.61 3.76 -0.63 -4.98 115.29 115.27 3ek8 s HIS 183 Ca 0.00 0.64 -0.11 0.00 -0.15 0.00 0.00 55.06 55.44 3ek8 s HIS 183 Cb 0.00 -4.19 -0.07 0.00 1.11 0.00 0.00 32.58 29.43 3ek8 s HIS 183 CO 0.00 -2.30 0.72 0.15 -0.85 0.00 0.00 174.74 172.46 3ek8 s LYS 184 N 6.54 3.81 0.05 1.40 1.02 -1.26 -1.76 119.74 129.53 3ek8 s LYS 184 Ca 0.63 0.44 -0.27 0.00 0.02 0.00 0.00 55.97 56.79 3ek8 s LYS 184 Cb -0.13 -2.45 0.09 0.00 -0.52 0.00 0.00 37.83 34.83 3ek8 s LYS 184 CO 0.22 0.05 0.77 -0.59 -0.92 0.00 0.00 175.35 174.89 3ek8 s PHE 185 N -2.22 -0.43 -0.02 3.18 -0.71 -0.69 -4.93 117.98 112.16 3ek8 s PHE 185 Ca 0.51 0.29 0.02 0.00 -1.04 0.00 0.00 56.93 56.71 3ek8 s PHE 185 Cb -0.10 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 3ek8 s PHE 185 CO 0.28 -0.66 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.31 3ek8 s SER 186 N -2.51 0.90 -0.08 1.98 0.01 -1.26 -0.80 113.70 111.94 3ek8 s SER 186 Ca 0.03 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.18 3ek8 s SER 186 Cb -0.01 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 3ek8 s SER 186 CO -0.10 0.04 -0.15 -0.69 0.41 0.00 0.00 173.24 172.75 3ek8 s VAL 187 N 0.24 2.94 -0.06 3.43 1.01 -0.19 0.24 120.40 128.01 3ek8 s VAL 187 Ca -0.03 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3ek8 s VAL 187 Cb -0.07 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3ek8 s VAL 187 CO -0.00 0.57 -0.24 -0.55 0.00 0.00 0.00 175.10 174.88 3ek8 s SER 188 N -0.32 2.95 0.04 3.32 0.15 -0.04 -0.55 113.70 119.25 3ek8 s SER 188 Ca 0.03 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.16 3ek8 s SER 188 Cb -0.13 -0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 63.31 3ek8 s SER 188 CO 0.02 0.23 0.00 -0.83 1.20 0.00 0.00 173.24 173.86 3ek8 s GLY 189 N -0.10 0.33 0.06 9.45 0.00 0.64 -0.11 107.32 117.59 3ek8 s GLY 189 Ca -0.05 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 43.65 3ek8 s GLY 189 CO 0.04 -0.96 0.37 -1.83 0.00 0.00 0.00 173.10 170.72 3ek8 s GLU 190 N -2.84 0.91 0.00 2.90 -1.05 -0.67 -0.59 118.70 117.36 3ek8 s GLU 190 Ca -0.03 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 3ek8 s GLU 190 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 3ek8 s GLU 190 CO -0.06 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.25 3ek8 n GLY 191 N 0.40 -0.53 3.24 -3.83 0.00 -0.80 -1.38 105.19 102.28 3ek8 n GLY 191 Ca -0.18 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 3ek8 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ek8 s GLU 192 N -1.67 1.03 -0.02 1.61 2.02 -0.64 0.49 118.70 121.51 3ek8 s GLU 192 Ca 0.00 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 53.65 3ek8 s GLU 192 Cb 0.00 -0.68 -0.00 0.00 0.10 0.00 0.00 34.13 33.54 3ek8 s GLU 192 CO 0.00 0.10 -0.12 0.20 0.02 0.00 0.00 175.26 175.46 3ek8 s GLY 193 N -2.92 0.66 -0.59 -1.39 0.00 0.12 -2.05 107.32 101.15 3ek8 s GLY 193 Ca 0.14 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.40 3ek8 s GLY 193 CO 0.01 -0.29 0.40 -0.35 0.00 0.00 0.00 173.10 172.87 3ek8 s ASP 194 N -0.04 3.97 0.54 1.64 3.68 0.16 -1.09 116.67 125.54 3ek8 s ASP 194 Ca -0.00 -3.42 0.23 0.00 2.13 0.00 0.00 52.55 51.49 3ek8 s ASP 194 Cb -0.08 -1.33 1.42 0.00 -1.45 0.00 0.00 42.92 41.48 3ek8 s ASP 194 CO 0.00 -0.15 2.06 0.00 0.13 0.00 0.00 175.17 177.22 3ek8 h ALA 195 N 5.78 2.20 -0.93 3.66 0.00 -1.73 0.22 119.26 128.46 3ek8 h ALA 195 Ca 0.12 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.22 3ek8 h ALA 195 Cb 0.83 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 3ek8 h ALA 195 CO 0.62 -0.38 0.49 1.15 0.00 0.00 0.00 179.25 181.13 3ek8 h THR 196 N 0.00 0.59 -0.19 0.00 2.02 -1.85 -2.60 112.91 110.88 3ek8 h THR 196 Ca 0.14 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3ek8 h THR 196 Cb 0.60 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3ek8 h THR 196 CO -0.00 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.77 3ek8 n TYR 197 N -4.92 0.26 -2.31 3.16 4.02 -0.04 -4.90 117.16 112.44 3ek8 n TYR 197 Ca 0.22 -0.50 -0.20 0.00 -0.01 0.00 0.00 57.90 57.42 3ek8 n TYR 197 Cb 0.62 -0.04 -0.02 0.00 -0.02 0.00 0.00 39.34 39.88 3ek8 n TYR 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ek8 n GLY 198 N 0.07 -0.25 3.83 2.72 0.00 -0.58 -4.60 105.19 106.37 3ek8 n GLY 198 Ca 0.06 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3ek8 n GLY 198 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ek8 s LYS 199 N -4.88 3.83 -0.05 1.61 2.20 -0.82 -1.52 119.74 120.11 3ek8 s LYS 199 Ca 0.00 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 3ek8 s LYS 199 Cb 0.00 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 3ek8 s LYS 199 CO 0.00 0.63 -0.07 -0.51 -0.36 0.00 0.00 175.35 175.04 3ek8 s LEU 200 N -0.75 1.46 -0.11 5.43 1.43 -0.14 0.37 118.68 126.36 3ek8 s LEU 200 Ca 0.19 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3ek8 s LEU 200 Cb -0.14 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.55 3ek8 s LEU 200 CO 0.08 -0.02 -0.16 0.42 0.23 0.00 0.00 176.35 176.90 3ek8 s THR 201 N 0.77 1.60 0.03 5.49 -4.23 -0.87 -1.17 115.64 117.26 3ek8 s THR 201 Ca -0.12 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 59.58 3ek8 s THR 201 Cb -0.14 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.26 3ek8 s THR 201 CO 0.01 0.46 0.22 -0.76 -0.54 0.00 0.00 174.62 174.01 3ek8 s LEU 202 N 0.95 1.25 -0.08 4.79 1.43 -0.45 -1.61 118.68 124.96 3ek8 s LEU 202 Ca -0.07 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3ek8 s LEU 202 Cb -0.15 1.02 0.00 0.00 0.03 0.00 0.00 46.19 47.09 3ek8 s LEU 202 CO -0.01 -0.53 -0.20 -0.75 0.23 0.00 0.00 176.35 175.09 3ek8 s LYS 203 N -2.24 2.45 -0.07 1.70 2.20 -0.48 -0.02 119.74 123.28 3ek8 s LYS 203 Ca -0.08 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.87 3ek8 s LYS 203 Cb -0.02 -1.93 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 3ek8 s LYS 203 CO -0.02 0.16 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.86 3ek8 s PHE 204 N 0.36 2.56 -0.09 4.03 0.40 -0.20 -1.66 117.98 123.39 3ek8 s PHE 204 Ca -0.15 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.56 3ek8 s PHE 204 Cb -0.16 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 3ek8 s PHE 204 CO 0.06 -0.16 -0.07 0.42 0.70 0.00 0.00 175.22 176.17 3ek8 s ILE 205 N -0.14 3.64 -0.60 0.64 -1.09 0.84 -0.97 121.20 123.51 3ek8 s ILE 205 Ca -0.03 -0.49 -0.24 0.00 -2.23 0.00 0.00 60.65 57.66 3ek8 s ILE 205 Cb -0.14 -2.50 0.05 0.00 -1.58 0.00 0.00 42.46 38.29 3ek8 s ILE 205 CO 0.04 0.57 0.96 0.00 -1.23 0.00 0.00 174.94 175.28 3ek8 n THR 207 N 6.09 0.30 -0.18 0.00 -2.24 0.14 -2.51 114.28 115.88 3ek8 n THR 207 Ca -0.01 0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 3ek8 n THR 207 Cb 0.47 -0.71 0.20 0.00 -2.10 0.00 0.00 70.33 68.18 3ek8 n THR 207 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ek8 n THR 208 N -1.27 0.93 0.00 4.28 -2.24 -1.24 -4.96 114.28 109.77 3ek8 n THR 208 Ca 0.11 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 3ek8 n THR 208 Cb 0.17 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3ek8 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ek8 n GLY 209 N 0.88 0.40 3.71 3.38 0.00 -1.04 -4.97 105.19 107.54 3ek8 n GLY 209 Ca 0.15 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 3ek8 n GLY 209 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ek8 s LYS 210 N 0.00 4.49 0.02 1.61 2.20 -1.26 -4.46 119.74 122.34 3ek8 s LYS 210 Ca 0.00 1.55 -0.30 0.00 -0.36 0.00 0.00 55.97 56.86 3ek8 s LYS 210 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 3ek8 s LYS 210 CO 0.00 -0.18 1.12 -1.17 -0.36 0.00 0.00 175.35 174.76 3ek8 s LEU 211 N 1.25 4.35 0.00 5.43 2.96 -1.26 -4.94 118.68 126.47 3ek8 s LEU 211 Ca 0.54 1.85 0.29 0.00 -0.22 0.00 0.00 54.13 56.59 3ek8 s LEU 211 Cb -0.24 -3.57 1.31 0.00 0.50 0.00 0.00 46.19 44.19 3ek8 s LEU 211 CO 0.27 -0.42 1.90 -0.81 -1.32 0.00 0.00 176.35 175.97 3ek8 n PRO 212 N 4.14 1.10 -4.32 0.98 -0.05 -1.26 -4.81 135.00 130.78 3ek8 n PRO 212 Ca 0.08 -0.43 -0.21 0.00 -0.05 0.00 0.00 63.50 62.89 3ek8 n PRO 212 Cb 0.48 -1.49 -0.11 0.00 -0.05 0.00 0.00 33.50 32.33 3ek8 n PRO 212 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3ek8 s VAL 213 N -2.20 1.73 0.36 0.52 -7.23 -1.26 -4.49 120.40 107.84 3ek8 s VAL 213 Ca 0.36 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 58.31 3ek8 s VAL 213 Cb 0.21 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.21 3ek8 s VAL 213 CO 0.41 -0.39 1.24 -2.84 -0.31 0.00 0.00 175.10 173.21 3ek8 s PRO 214 N -2.95 4.23 0.21 4.82 0.02 -1.26 -4.92 135.00 135.15 3ek8 s PRO 214 Ca 0.16 2.06 -0.10 0.00 0.02 0.00 0.00 61.00 63.14 3ek8 s PRO 214 Cb -0.05 -2.92 0.27 0.00 0.02 0.00 0.00 34.50 31.83 3ek8 s PRO 214 CO 0.06 -0.23 1.73 -1.49 -0.33 0.00 0.00 177.00 176.73 3ek8 h TRP 215 N 3.10 0.30 -0.99 6.54 4.06 -1.95 -1.89 115.95 125.12 3ek8 h TRP 215 Ca -0.49 0.03 0.23 0.00 2.06 0.00 0.00 58.89 60.72 3ek8 h TRP 215 Cb 1.23 -0.04 -0.12 0.00 -1.00 0.00 0.00 29.16 29.23 3ek8 h TRP 215 CO 0.55 0.04 0.58 -1.35 -3.56 0.00 0.00 178.44 174.70 3ek8 h PRO 216 N 0.33 0.60 0.00 0.49 0.11 -1.91 0.12 132.00 131.74 3ek8 h PRO 216 Ca 0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3ek8 h PRO 216 Cb 0.41 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3ek8 h PRO 216 CO -0.34 0.39 0.00 0.25 -0.21 0.00 0.00 178.00 178.09 3ek8 n THR 217 N -4.87 1.88 0.51 -1.15 -2.24 -0.71 -1.95 114.28 105.76 3ek8 n THR 217 Ca 0.25 0.50 0.05 0.00 -2.27 0.00 0.00 64.05 62.58 3ek8 n THR 217 Cb 0.68 -1.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 3ek8 n THR 217 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ek8 n LEU 218 N -1.54 0.89 -0.12 3.22 4.77 0.03 -4.68 117.00 119.56 3ek8 n LEU 218 Ca 0.00 -0.62 -0.05 0.00 -0.03 0.00 0.00 56.01 55.31 3ek8 n LEU 218 Cb 0.01 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3ek8 n LEU 218 CO 0.01 0.19 0.82 0.58 -1.33 0.00 0.00 177.39 177.67 3ek8 h VAL 219 N 0.59 0.66 0.00 4.08 2.07 -1.40 0.16 116.25 122.41 3ek8 h VAL 219 Ca 0.00 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3ek8 h VAL 219 Cb 0.32 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3ek8 h VAL 219 CO 0.00 0.01 -0.30 0.71 0.02 0.00 0.00 177.57 178.01 3ek8 h THR 220 N 0.06 1.03 0.07 2.57 1.35 -1.83 -2.81 112.91 113.35 3ek8 h THR 220 Ca 0.19 -1.09 -0.22 0.00 -0.55 0.00 0.00 66.41 64.74 3ek8 h THR 220 Cb 0.29 1.62 0.02 0.00 -1.73 0.00 0.00 68.15 68.35 3ek8 h THR 220 CO -0.36 0.29 -0.90 0.74 -0.25 0.00 0.00 175.52 175.04 3ek8 h THR 221 N 0.00 1.38 0.00 6.82 2.02 -1.72 -3.47 112.91 117.95 3ek8 h THR 221 Ca -0.00 -2.31 -0.22 0.00 0.77 0.00 0.00 66.41 64.65 3ek8 h THR 221 Cb 0.60 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 3ek8 h THR 221 CO 0.04 0.68 1.13 0.18 0.37 0.00 0.00 175.52 177.93 3ek8 n LEU 222 N -4.03 3.66 0.00 2.58 4.77 0.51 -5.03 117.00 119.46 3ek8 n LEU 222 Ca -0.12 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 3ek8 n LEU 222 Cb 0.83 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3ek8 n LEU 222 CO 0.52 0.62 0.00 1.33 -1.33 0.00 0.00 177.39 178.53 3ek8 n VAL 226 N 3.39 0.00 0.94 4.08 0.24 -1.26 -5.01 118.33 120.71 3ek8 n VAL 226 Ca 0.32 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.70 3ek8 n VAL 226 Cb 0.33 0.00 0.48 0.00 -1.47 0.00 0.00 33.84 33.18 3ek8 n VAL 226 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek8 n GLN 227 N 0.00 0.36 0.00 7.34 6.02 -1.26 -1.50 117.38 128.35 3ek8 n GLN 227 Ca 0.00 0.08 0.07 0.00 -0.01 0.00 0.00 57.00 57.14 3ek8 n GLN 227 Cb 0.00 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.12 3ek8 n GLN 227 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ek8 n PHE 229 N -1.22 0.81 -2.44 0.00 3.72 -0.56 -4.64 117.46 113.12 3ek8 n PHE 229 Ca 0.07 -0.40 -0.34 0.00 -0.05 0.00 0.00 57.45 56.73 3ek8 n PHE 229 Cb 0.10 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3ek8 n PHE 229 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3ek8 s SER 230 N -1.14 6.26 -0.23 4.37 0.01 -1.13 -4.10 113.70 117.73 3ek8 s SER 230 Ca 0.45 1.88 -0.24 0.00 1.31 0.00 0.00 55.95 59.35 3ek8 s SER 230 Cb 0.24 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 3ek8 s SER 230 CO 0.32 -0.84 0.78 -0.60 0.41 0.00 0.00 173.24 173.31 3ek8 s ARG 231 N -3.45 4.18 -0.23 12.44 3.52 -0.35 -4.76 118.95 130.30 3ek8 s ARG 231 Ca 0.66 0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 57.01 3ek8 s ARG 231 Cb -0.16 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 3ek8 s ARG 231 CO 0.24 -0.46 0.14 0.71 -0.81 0.00 0.00 175.30 175.12 3ek8 s TYR 232 N 2.63 3.33 0.97 5.12 1.51 -1.26 -0.87 117.35 128.77 3ek8 s TYR 232 Ca 0.33 0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 56.50 3ek8 s TYR 232 Cb -0.15 -2.23 0.17 0.00 -0.11 0.00 0.00 41.96 39.64 3ek8 s TYR 232 CO 0.08 0.12 1.11 -2.14 -1.11 0.00 0.00 175.55 173.61 3ek8 s PRO 233 N 0.85 0.62 0.19 -1.71 0.02 -1.26 -4.76 135.00 128.93 3ek8 s PRO 233 Ca 0.07 1.30 -0.17 0.00 0.02 0.00 0.00 61.00 62.21 3ek8 s PRO 233 Cb -0.13 -1.70 0.15 0.00 0.02 0.00 0.00 34.50 32.84 3ek8 s PRO 233 CO 0.03 -2.82 1.62 -0.44 -0.33 0.00 0.00 177.00 175.06 3ek8 h ASP 234 N -2.00 -0.71 0.48 2.53 3.32 -2.00 -1.45 116.42 116.60 3ek8 h ASP 234 Ca -0.48 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3ek8 h ASP 234 Cb 1.28 0.40 0.00 0.00 0.22 0.00 0.00 39.33 41.23 3ek8 h ASP 234 CO 0.45 -0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 3ek8 n HIS 235 N -5.40 0.58 -0.59 4.55 1.44 -1.26 -2.49 115.22 112.04 3ek8 n HIS 235 Ca 0.04 0.25 0.07 0.00 -2.01 0.00 0.00 57.72 56.07 3ek8 n HIS 235 Cb 0.31 -0.90 0.22 0.00 0.12 0.00 0.00 29.99 29.74 3ek8 n HIS 235 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3ek8 n MET 236 N -2.05 2.99 0.22 -1.40 2.81 -0.56 -4.67 117.12 114.47 3ek8 n MET 236 Ca 0.01 -2.49 0.07 0.00 -1.81 0.00 0.00 57.70 53.48 3ek8 n MET 236 Cb 0.16 -1.59 0.49 0.00 -0.71 0.00 0.00 33.22 31.57 3ek8 n MET 236 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3ek8 h LYS 237 N 2.10 0.00 0.00 0.03 1.79 -1.37 -1.96 116.57 117.16 3ek8 h LYS 237 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ek8 h LYS 237 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3ek8 h LYS 237 CO 0.13 0.27 0.00 0.00 -1.08 0.00 0.00 179.45 178.76 3ek8 n GLN 238 N -3.90 0.31 -0.17 3.15 0.00 -1.26 -3.20 117.38 112.31 3ek8 n GLN 238 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 57.00 57.15 3ek8 n GLN 238 Cb 0.35 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 29.25 3ek8 n GLN 238 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3ek8 n HIS 239 N -1.19 0.45 -3.15 2.61 8.25 -0.74 -4.59 115.22 116.86 3ek8 n HIS 239 Ca 0.09 -0.39 -0.45 0.00 -0.26 0.00 0.00 57.72 56.71 3ek8 n HIS 239 Cb 0.10 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 3ek8 n HIS 239 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ek8 s ASP 240 N -1.03 6.99 0.19 0.41 -1.08 -1.19 -4.48 116.67 116.48 3ek8 s ASP 240 Ca 0.26 -2.92 -0.12 0.00 -0.52 0.00 0.00 52.55 49.25 3ek8 s ASP 240 Cb 0.14 -2.30 0.19 0.00 -1.46 0.00 0.00 42.92 39.49 3ek8 s ASP 240 CO 0.19 -0.63 1.77 0.15 0.52 0.00 0.00 175.17 177.17 3ek8 h PHE 241 N 7.49 0.45 0.14 -5.34 3.57 -1.90 -2.97 116.94 118.37 3ek8 h PHE 241 Ca 0.20 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3ek8 h PHE 241 Cb 0.94 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3ek8 h PHE 241 CO 1.00 0.19 -0.10 0.74 -2.23 0.00 0.00 178.31 177.90 3ek8 h PHE 242 N 0.47 -0.26 -0.44 0.41 0.04 -1.89 -1.64 116.94 113.63 3ek8 h PHE 242 Ca 0.25 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.92 3ek8 h PHE 242 Cb 0.21 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 3ek8 h PHE 242 CO -0.12 -0.16 -0.12 0.87 -0.60 0.00 0.00 178.31 178.18 3ek8 h LYS 243 N -0.25 0.80 -0.42 1.51 1.57 -1.82 -3.06 116.57 114.90 3ek8 h LYS 243 Ca -0.01 -0.28 0.11 0.00 -1.87 0.00 0.00 60.65 58.60 3ek8 h LYS 243 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3ek8 h LYS 243 CO -0.00 0.89 0.30 0.66 -0.57 0.00 0.00 179.45 180.72 3ek8 h SER 244 N 0.72 0.08 -0.02 0.86 4.64 -1.14 -1.18 113.55 117.51 3ek8 h SER 244 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3ek8 h SER 244 Cb 0.61 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3ek8 h SER 244 CO 0.04 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 3ek8 n ALA 245 N -2.59 2.61 -2.12 5.18 0.00 -0.94 -4.61 120.51 118.03 3ek8 n ALA 245 Ca 0.07 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 3ek8 n ALA 245 Cb 0.43 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3ek8 n ALA 245 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ek8 s MET 246 N -1.98 3.77 0.21 0.00 1.00 -0.45 0.11 119.30 121.96 3ek8 s MET 246 Ca 0.40 0.53 0.26 0.00 0.00 0.00 0.00 55.69 56.88 3ek8 s MET 246 Cb 0.20 -2.33 0.83 0.00 0.00 0.00 0.00 34.83 33.53 3ek8 s MET 246 CO 0.33 -0.12 1.78 -0.35 0.00 0.00 0.00 175.02 176.66 3ek8 n PRO 247 N -1.53 0.25 -0.19 2.03 -0.04 -1.26 -4.36 135.00 129.90 3ek8 n PRO 247 Ca 0.03 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.63 3ek8 n PRO 247 Cb 0.54 -1.80 0.06 0.00 -0.04 0.00 0.00 33.50 32.26 3ek8 n PRO 247 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ek8 h GLU 248 N 0.00 1.02 0.00 0.54 3.07 -1.90 -2.31 114.58 115.00 3ek8 h GLU 248 Ca 0.00 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 3ek8 h GLU 248 Cb 0.72 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3ek8 h GLU 248 CO 0.00 1.00 0.00 0.41 -1.40 0.00 0.00 179.01 179.02 3ek8 n GLY 249 N -0.47 -2.83 3.29 -3.84 0.00 0.12 -4.64 105.19 96.81 3ek8 n GLY 249 Ca 0.03 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 3ek8 n GLY 249 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ek8 s TYR 250 N -0.47 1.46 -0.05 1.61 -0.85 -0.30 0.27 117.35 119.01 3ek8 s TYR 250 Ca 0.00 -0.66 -0.20 0.00 -0.52 0.00 0.00 57.07 55.69 3ek8 s TYR 250 Cb 0.00 -0.71 -0.05 0.00 0.38 0.00 0.00 41.96 41.58 3ek8 s TYR 250 CO 0.00 0.20 0.56 0.42 -1.52 0.00 0.00 175.55 175.21 3ek8 s ILE 251 N -3.06 5.03 -0.16 -3.49 -1.09 0.17 -1.31 121.20 117.30 3ek8 s ILE 251 Ca 0.18 1.15 0.01 0.00 -2.23 0.00 0.00 60.65 59.77 3ek8 s ILE 251 Cb 0.00 -3.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 3ek8 s ILE 251 CO 0.03 0.37 -0.18 -1.58 -1.23 0.00 0.00 174.94 172.35 3ek8 s GLN 252 N 0.20 2.72 0.02 2.79 0.74 -0.20 -1.03 119.66 124.90 3ek8 s GLN 252 Ca 0.30 -0.73 0.08 0.00 0.05 0.00 0.00 55.36 55.06 3ek8 s GLN 252 Cb -0.17 -2.36 -0.02 0.00 1.10 0.00 0.00 33.01 31.56 3ek8 s GLN 252 CO 0.15 -0.18 -0.23 -1.21 -0.55 0.00 0.00 175.29 173.27 3ek8 s GLU 253 N 1.26 1.67 -0.00 1.67 2.02 0.42 -0.89 118.70 124.85 3ek8 s GLU 253 Ca 0.02 -0.94 -0.05 0.00 0.02 0.00 0.00 54.97 54.03 3ek8 s GLU 253 Cb -0.13 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.36 3ek8 s GLU 253 CO -0.10 0.46 0.10 1.03 0.02 0.00 0.00 175.26 176.76 3ek8 s ARG 254 N -0.95 0.39 -0.10 1.61 0.52 -0.83 -0.44 118.95 119.15 3ek8 s ARG 254 Ca 0.09 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 3ek8 s ARG 254 Cb -0.09 0.16 -0.00 0.00 0.52 0.00 0.00 34.95 35.53 3ek8 s ARG 254 CO 0.01 -0.08 -0.22 0.99 0.02 0.00 0.00 175.30 176.01 3ek8 s THR 255 N -1.17 2.26 -0.22 0.02 2.01 -0.65 -0.89 115.64 117.00 3ek8 s THR 255 Ca -0.13 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 60.93 3ek8 s THR 255 Cb -0.07 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.60 3ek8 s THR 255 CO 0.01 0.56 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.71 3ek8 s ILE 256 N 0.25 2.19 -0.31 1.82 1.01 0.08 -1.51 121.20 124.72 3ek8 s ILE 256 Ca -0.15 -1.19 -0.13 0.00 0.00 0.00 0.00 60.65 59.17 3ek8 s ILE 256 Cb -0.17 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3ek8 s ILE 256 CO 0.08 0.30 0.28 -0.36 0.00 0.00 0.00 174.94 175.24 3ek8 s PHE 257 N 1.23 3.22 -0.36 3.97 0.40 0.42 -1.49 117.98 125.37 3ek8 s PHE 257 Ca -0.00 0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.13 3ek8 s PHE 257 Cb -0.16 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 40.86 3ek8 s PHE 257 CO -0.09 -0.30 0.81 -0.06 0.70 0.00 0.00 175.22 176.27 3ek8 s PHE 258 N 1.88 3.11 0.31 0.36 0.08 -0.61 -0.76 117.98 122.35 3ek8 s PHE 258 Ca 0.09 0.61 -0.30 0.00 0.12 0.00 0.00 56.93 57.46 3ek8 s PHE 258 Cb -0.16 -3.43 -0.12 0.00 -0.57 0.00 0.00 43.02 38.74 3ek8 s PHE 258 CO 0.11 -0.74 1.53 1.17 -0.10 0.00 0.00 175.22 177.19 3ek8 n LYS 259 N 6.47 2.58 -1.56 0.44 4.81 -0.91 -0.55 118.16 129.44 3ek8 n LYS 259 Ca 0.04 0.91 -0.17 0.00 -0.87 0.00 0.00 58.31 58.22 3ek8 n LYS 259 Cb 0.48 -2.65 -0.07 0.00 0.02 0.00 0.00 35.03 32.81 3ek8 n LYS 259 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ek8 n ASP 260 N 1.66 -5.06 -0.27 3.14 8.00 -1.26 -4.82 116.55 117.95 3ek8 n ASP 260 Ca 0.07 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.96 3ek8 n ASP 260 Cb 0.37 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 3ek8 n ASP 260 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ek8 n ASP 261 N -0.80 0.00 -2.13 -2.24 -0.08 0.29 -4.94 116.55 106.64 3ek8 n ASP 261 Ca -0.17 -0.27 0.00 0.00 -1.51 0.00 0.00 54.79 52.84 3ek8 n ASP 261 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 3ek8 n ASP 261 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ek8 n GLY 262 N 0.00 -0.57 3.13 0.27 0.00 -1.21 -4.57 105.19 102.23 3ek8 n GLY 262 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 3ek8 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek8 s ASN 263 N -1.00 1.24 -0.12 1.61 2.20 -0.88 -1.57 114.94 116.42 3ek8 s ASN 263 Ca 0.00 -0.66 -0.05 0.00 -0.94 0.00 0.00 52.86 51.21 3ek8 s ASN 263 Cb 0.00 0.01 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 3ek8 s ASN 263 CO 0.00 -0.20 0.05 -0.31 -2.94 0.00 0.00 177.10 173.70 3ek8 s TYR 264 N -1.76 3.27 -0.20 1.54 2.02 -0.56 -2.25 117.35 119.41 3ek8 s TYR 264 Ca -0.03 0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.83 3ek8 s TYR 264 Cb -0.07 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3ek8 s TYR 264 CO 0.00 0.42 0.00 0.21 -1.57 0.00 0.00 175.55 174.62 3ek8 s LYS 265 N -0.53 3.61 0.07 -0.62 2.20 0.12 -0.74 119.74 123.85 3ek8 s LYS 265 Ca 0.10 -0.52 0.09 0.00 -0.36 0.00 0.00 55.97 55.28 3ek8 s LYS 265 Cb -0.12 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 3ek8 s LYS 265 CO 0.02 -0.01 -0.24 0.95 -0.36 0.00 0.00 175.35 175.71 3ek8 s THR 266 N 1.07 1.99 -0.03 3.43 -4.23 -0.07 -1.27 115.64 116.53 3ek8 s THR 266 Ca 0.02 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3ek8 s THR 266 Cb -0.14 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 71.99 3ek8 s THR 266 CO 0.02 0.22 0.00 -0.60 -0.54 0.00 0.00 174.62 173.71 3ek8 s ARG 267 N -1.47 0.26 0.01 3.99 3.52 -0.57 -1.96 118.95 122.74 3ek8 s ARG 267 Ca 0.10 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 3ek8 s ARG 267 Cb -0.10 -0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 32.85 3ek8 s ARG 267 CO 0.03 -0.12 -0.05 0.00 -0.81 0.00 0.00 175.30 174.35 3ek8 s ALA 268 N 0.90 0.38 -0.23 6.12 0.00 -0.07 -0.64 121.76 128.23 3ek8 s ALA 268 Ca -0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 3ek8 s ALA 268 Cb -0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3ek8 s ALA 268 CO -0.02 0.02 0.04 -1.21 0.00 0.00 0.00 175.76 174.60 3ek8 s GLU 269 N -0.68 3.66 -0.27 0.00 2.02 0.70 -1.03 118.70 123.10 3ek8 s GLU 269 Ca -0.04 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.47 3ek8 s GLU 269 Cb -0.05 -3.22 0.05 0.00 0.10 0.00 0.00 34.13 31.01 3ek8 s GLU 269 CO -0.00 -0.08 -0.06 0.08 0.02 0.00 0.00 175.26 175.22 3ek8 s VAL 270 N 1.30 2.59 0.18 2.63 1.01 -0.42 -1.28 120.40 126.39 3ek8 s VAL 270 Ca 0.04 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.40 3ek8 s VAL 270 Cb -0.15 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.80 3ek8 s VAL 270 CO 0.03 -0.02 0.51 -1.59 0.00 0.00 0.00 175.10 174.03 3ek8 s LYS 271 N 1.20 1.31 0.24 2.72 -2.85 -0.80 -1.15 119.74 120.41 3ek8 s LYS 271 Ca -0.06 -0.77 -0.30 0.00 -1.00 0.00 0.00 55.97 53.85 3ek8 s LYS 271 Cb -0.19 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.01 3ek8 s LYS 271 CO -0.04 -0.55 1.19 -0.06 0.10 0.00 0.00 175.35 175.99 3ek8 s PHE 272 N -3.84 3.41 -0.23 1.78 0.08 -0.87 -0.40 117.98 117.91 3ek8 s PHE 272 Ca 0.07 1.51 -0.00 0.00 0.12 0.00 0.00 56.93 58.62 3ek8 s PHE 272 Cb -0.00 -3.43 0.06 0.00 -0.57 0.00 0.00 43.02 39.08 3ek8 s PHE 272 CO -0.06 -1.12 -0.01 -1.21 -0.10 0.00 0.00 175.22 172.72 3ek8 s GLU 273 N -0.90 1.24 7.47 0.44 2.02 -0.23 -4.92 118.70 123.83 3ek8 s GLU 273 Ca 0.49 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.65 3ek8 s GLU 273 Cb -0.34 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3ek8 s GLU 273 CO 0.41 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.45 3ek8 n GLY 274 N 4.79 4.20 0.82 -1.39 0.00 -1.26 -2.25 105.19 110.10 3ek8 n GLY 274 Ca -0.10 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3ek8 n GLY 274 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ek8 n ASP 275 N 8.20 2.72 -4.75 1.61 8.00 -1.26 -4.92 116.55 126.16 3ek8 n ASP 275 Ca 0.00 -1.84 -0.35 0.00 0.71 0.00 0.00 54.79 53.31 3ek8 n ASP 275 Cb 0.00 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 3ek8 n ASP 275 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ek8 s THR 276 N -1.60 5.40 -0.15 -3.53 2.01 -0.95 -4.39 115.64 112.43 3ek8 s THR 276 Ca 0.24 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 3ek8 s THR 276 Cb 0.17 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3ek8 s THR 276 CO 0.25 0.46 1.19 -0.22 -0.69 0.00 0.00 174.62 175.61 3ek8 s LEU 277 N 0.19 4.19 -0.06 4.42 1.98 -0.77 -1.07 118.68 127.57 3ek8 s LEU 277 Ca 0.10 1.65 0.03 0.00 -2.89 0.00 0.00 54.13 53.02 3ek8 s LEU 277 Cb -0.11 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.17 3ek8 s LEU 277 CO -0.00 -0.69 -0.14 -0.69 -1.89 0.00 0.00 176.35 172.93 3ek8 s VAL 278 N 3.11 3.05 -0.25 1.68 1.01 0.46 -1.50 120.40 127.96 3ek8 s VAL 278 Ca 0.53 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3ek8 s VAL 278 Cb -0.21 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.02 3ek8 s VAL 278 CO 0.15 0.59 -0.10 0.21 0.00 0.00 0.00 175.10 175.94 3ek8 s ASN 279 N -0.63 4.33 -0.21 3.32 2.47 -0.02 -1.90 114.94 122.29 3ek8 s ASN 279 Ca 0.09 -1.24 -0.04 0.00 0.42 0.00 0.00 52.86 52.09 3ek8 s ASN 279 Cb -0.11 -1.57 -0.02 0.00 -1.45 0.00 0.00 41.25 38.10 3ek8 s ASN 279 CO 0.01 -0.17 -0.02 -0.13 -3.72 0.00 0.00 177.10 173.07 3ek8 s ARG 280 N 1.16 3.51 -0.00 0.43 0.52 -0.41 -0.53 118.95 123.64 3ek8 s ARG 280 Ca -0.06 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 3ek8 s ARG 280 Cb -0.19 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 3ek8 s ARG 280 CO -0.05 -0.06 -0.16 0.42 0.02 0.00 0.00 175.30 175.46 3ek8 s ILE 281 N 1.16 1.27 -0.01 1.52 1.01 0.54 -0.21 121.20 126.48 3ek8 s ILE 281 Ca 0.02 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3ek8 s ILE 281 Cb -0.15 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3ek8 s ILE 281 CO 0.00 0.30 -0.19 -1.83 0.00 0.00 0.00 174.94 173.23 3ek8 s GLU 282 N -0.53 2.25 -0.03 2.79 -1.05 0.19 -1.40 118.70 120.93 3ek8 s GLU 282 Ca 0.06 -0.85 0.02 0.00 -0.15 0.00 0.00 54.97 54.04 3ek8 s GLU 282 Cb -0.07 -2.22 0.01 0.00 -0.44 0.00 0.00 34.13 31.41 3ek8 s GLU 282 CO -0.00 0.58 -0.06 -1.17 0.95 0.00 0.00 175.26 175.56 3ek8 s LEU 283 N -0.91 1.66 -0.12 1.83 0.20 0.09 -1.52 118.68 119.91 3ek8 s LEU 283 Ca 0.12 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.82 3ek8 s LEU 283 Cb -0.10 -0.41 0.02 0.00 -0.43 0.00 0.00 46.19 45.26 3ek8 s LEU 283 CO 0.01 0.01 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.20 3ek8 s LYS 284 N 0.39 2.14 -0.10 1.98 2.20 -0.39 -0.63 119.74 125.33 3ek8 s LYS 284 Ca -0.05 -0.52 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 3ek8 s LYS 284 Cb -0.09 -1.91 -0.03 0.00 -1.51 0.00 0.00 37.83 34.30 3ek8 s LYS 284 CO 0.00 -0.14 -0.08 0.20 -0.36 0.00 0.00 175.35 174.97 3ek8 s GLY 285 N 1.23 1.66 0.28 5.54 0.00 0.33 0.14 107.32 116.50 3ek8 s GLY 285 Ca -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3ek8 s GLY 285 CO -0.05 -0.44 0.11 -0.26 0.00 0.00 0.00 173.10 172.46 3ek8 s ILE 286 N -0.31 0.54 -1.30 0.90 -4.36 -0.96 -0.33 121.20 115.39 3ek8 s ILE 286 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3ek8 s ILE 286 Cb -0.13 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 40.98 3ek8 s ILE 286 CO 0.02 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.67 3ek8 n ASP 287 N -0.64 -5.57 -4.78 4.36 8.00 -1.26 -2.07 116.55 114.59 3ek8 n ASP 287 Ca -0.00 0.30 -0.36 0.00 0.71 0.00 0.00 54.79 55.44 3ek8 n ASP 287 Cb 0.66 -4.15 -0.05 0.00 -0.02 0.00 0.00 41.12 37.56 3ek8 n ASP 287 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ek8 s PHE 288 N -2.09 3.38 0.01 1.24 0.40 -1.26 -3.29 117.98 116.36 3ek8 s PHE 288 Ca 0.00 1.68 -0.22 0.00 -0.60 0.00 0.00 56.93 57.79 3ek8 s PHE 288 Cb 0.00 -3.05 -0.05 0.00 0.51 0.00 0.00 43.02 40.42 3ek8 s PHE 288 CO 0.00 -0.37 0.64 0.15 0.70 0.00 0.00 175.22 176.34 3ek8 s LYS 289 N -2.43 4.37 0.46 0.44 1.02 -1.26 -4.92 119.74 117.42 3ek8 s LYS 289 Ca 0.56 0.83 0.30 0.00 0.02 0.00 0.00 55.97 57.68 3ek8 s LYS 289 Cb -0.20 -3.35 1.22 0.00 -0.52 0.00 0.00 37.83 34.98 3ek8 s LYS 289 CO 0.25 0.34 1.89 0.93 -0.92 0.00 0.00 175.35 177.84 3ek8 h GLU 290 N 5.68 0.00 -0.16 1.68 4.39 -1.96 -2.10 114.58 122.11 3ek8 h GLU 290 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3ek8 h GLU 290 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3ek8 h GLU 290 CO 0.70 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.15 3ek8 n ASP 291 N -2.85 2.87 -3.54 1.42 5.68 -1.26 -3.65 116.55 115.23 3ek8 n ASP 291 Ca 0.01 -1.86 -0.27 0.00 -0.50 0.00 0.00 54.79 52.17 3ek8 n ASP 291 Cb 0.30 -0.10 0.21 0.00 -1.14 0.00 0.00 41.12 40.39 3ek8 n ASP 291 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek8 n GLY 292 N 1.15 -2.31 0.23 6.12 0.00 -0.79 -4.70 105.19 104.88 3ek8 n GLY 292 Ca 0.14 -1.56 0.03 0.00 0.00 0.00 0.00 46.02 44.62 3ek8 n GLY 292 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ek8 h ASN 293 N -2.23 0.15 0.00 1.61 2.35 -1.92 -0.62 115.58 114.91 3ek8 h ASN 293 Ca -0.38 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3ek8 h ASN 293 Cb 1.11 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3ek8 h ASN 293 CO 0.25 0.35 0.00 -0.38 -1.65 0.00 0.00 177.43 176.01 3ek8 n ILE 294 N -4.25 0.00 0.26 2.81 -0.00 -1.26 -1.54 119.36 115.38 3ek8 n ILE 294 Ca -0.01 0.36 0.15 0.00 -0.00 0.00 0.00 62.75 63.24 3ek8 n ILE 294 Cb 0.29 -1.06 0.84 0.00 -0.00 0.00 0.00 39.64 39.71 3ek8 n ILE 294 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3ek8 h LEU 295 N 0.00 0.00 -1.01 1.39 3.38 -1.75 -1.14 115.31 116.18 3ek8 h LEU 295 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ek8 h LEU 295 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ek8 h LEU 295 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3ek8 n GLY 296 N -1.39 0.19 3.88 0.83 0.00 -0.24 -4.91 105.19 103.54 3ek8 n GLY 296 Ca -0.01 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 3ek8 n GLY 296 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ek8 n HIS 297 N 0.23 -1.70 -0.44 1.61 8.25 -0.43 -4.90 115.22 117.83 3ek8 n HIS 297 Ca 0.15 0.34 0.06 0.00 -0.26 0.00 0.00 57.72 58.02 3ek8 n HIS 297 Cb 0.29 -3.01 0.18 0.00 1.12 0.00 0.00 29.99 28.58 3ek8 n HIS 297 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ek8 n LYS 298 N -4.28 2.88 -3.63 -0.41 5.02 -0.59 -4.99 118.16 112.16 3ek8 n LYS 298 Ca -0.14 -2.29 -0.36 0.00 -2.02 0.00 0.00 58.31 53.50 3ek8 n LYS 298 Cb 0.59 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 34.07 3ek8 n LYS 298 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ek8 s LEU 299 N -1.61 4.17 0.14 -0.35 1.43 -1.25 -0.24 118.68 120.95 3ek8 s LEU 299 Ca 0.28 0.25 -0.35 0.00 -1.03 0.00 0.00 54.13 53.29 3ek8 s LEU 299 Cb 0.19 -2.19 -0.16 0.00 0.03 0.00 0.00 46.19 44.06 3ek8 s LEU 299 CO 0.13 0.09 1.29 1.21 0.23 0.00 0.00 176.35 179.29 3ek8 n GLU 300 N 3.99 1.29 -0.08 1.70 2.13 -0.68 -4.76 120.64 124.23 3ek8 n GLU 300 Ca -0.14 0.46 -0.14 0.00 0.66 0.00 0.00 57.16 58.00 3ek8 n GLU 300 Cb 0.52 -2.06 -0.10 0.00 0.27 0.00 0.00 31.44 30.07 3ek8 n GLU 300 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3ek8 h TYR 301 N 4.16 0.00 -3.04 4.31 3.20 -1.98 -3.45 116.97 120.17 3ek8 h TYR 301 Ca -0.45 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 60.84 3ek8 h TYR 301 Cb 1.33 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.55 3ek8 h TYR 301 CO 0.57 0.95 0.88 -0.80 -1.64 0.00 0.00 178.16 178.13 3ek8 s ASN 302 N -6.30 6.94 -0.55 -2.11 0.01 -1.26 -4.86 114.94 106.81 3ek8 s ASN 302 Ca -0.19 1.45 -0.36 0.00 -0.71 0.00 0.00 52.86 53.05 3ek8 s ASN 302 Cb 0.01 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 38.97 3ek8 s ASN 302 CO 0.54 -0.81 2.32 0.41 -1.51 0.00 0.00 177.10 178.04 3ek8 n THR 303 N 5.57 0.06 -1.53 1.60 -1.04 -1.26 -4.68 114.28 113.00 3ek8 n THR 303 Ca 0.13 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 3ek8 n THR 303 Cb 0.46 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.65 3ek8 n THR 303 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ek8 n ARG 304 N 8.17 0.47 -0.87 -2.82 1.74 -1.26 -4.83 116.66 117.26 3ek8 n ARG 304 Ca 0.50 -0.21 0.10 0.00 -0.77 0.00 0.00 57.85 57.47 3ek8 n ARG 304 Cb 0.15 -2.58 -0.03 0.00 -1.02 0.00 0.00 32.46 28.97 3ek8 n ARG 304 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ek8 n ASP 305 N 13.40 -4.44 -0.90 0.55 4.64 -1.26 -4.84 116.55 123.70 3ek8 n ASP 305 Ca 0.52 0.41 0.00 0.00 -1.38 0.00 0.00 54.79 54.35 3ek8 n ASP 305 Cb 0.32 -2.82 0.00 0.00 -1.04 0.00 0.00 41.12 37.58 3ek8 n ASP 305 CO 0.00 0.00 0.00 1.67 -0.82 0.00 0.00 177.20 178.05 3ek8 n GLN 306 N -2.80 2.15 -4.80 -0.67 7.27 -1.26 -5.08 117.38 112.19 3ek8 n GLN 306 Ca -0.01 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 3ek8 n GLN 306 Cb 0.59 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.08 3ek8 n GLN 306 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3ek8 s LEU 307 N 0.00 2.32 0.76 1.69 1.43 -1.26 -5.11 118.68 118.51 3ek8 s LEU 307 Ca 0.00 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 3ek8 s LEU 307 Cb 0.00 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.77 3ek8 s LEU 307 CO 0.00 0.12 1.19 0.41 0.23 0.00 0.00 176.35 178.30 3ek8 n THR 308 N 3.82 2.82 0.27 5.49 -1.04 -1.26 -4.85 114.28 119.54 3ek8 n THR 308 Ca -0.19 -0.30 0.13 0.00 -2.04 0.00 0.00 64.05 61.65 3ek8 n THR 308 Cb 0.52 -1.26 0.78 0.00 -1.82 0.00 0.00 70.33 68.56 3ek8 n THR 308 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3ek8 h GLU 309 N -0.49 0.00 -0.18 -2.82 3.07 -1.99 -1.91 114.58 110.25 3ek8 h GLU 309 Ca -0.47 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.19 3ek8 h GLU 309 Cb 1.31 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.23 3ek8 h GLU 309 CO 0.48 0.07 -0.64 1.49 -1.40 0.00 0.00 179.01 179.00 3ek8 h GLU 310 N 0.00 0.76 -0.13 2.33 4.81 -1.99 -2.74 114.58 117.62 3ek8 h GLU 310 Ca -0.00 -0.57 -0.08 0.00 -0.13 0.00 0.00 59.36 58.58 3ek8 h GLU 310 Cb 0.16 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3ek8 h GLU 310 CO 0.01 1.19 -0.24 1.96 -0.73 0.00 0.00 179.01 181.20 3ek8 h GLN 311 N 0.48 0.39 -0.72 1.92 4.20 -1.81 -2.54 115.11 117.03 3ek8 h GLN 311 Ca -0.03 -0.25 0.11 0.00 0.06 0.00 0.00 58.65 58.54 3ek8 h GLN 311 Cb 1.27 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 29.00 3ek8 h GLN 311 CO 0.14 0.84 0.34 0.82 -0.67 0.00 0.00 178.83 180.30 3ek8 h ILE 312 N -0.02 0.79 -0.31 2.54 2.04 -1.44 -0.85 117.51 120.25 3ek8 h ILE 312 Ca 0.01 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3ek8 h ILE 312 Cb 0.82 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ek8 h ILE 312 CO 0.05 0.10 0.06 0.00 0.00 0.00 0.00 178.15 178.36 3ek8 h ALA 313 N 1.47 1.53 -0.36 1.87 0.00 -1.45 -1.33 119.26 120.99 3ek8 h ALA 313 Ca 0.37 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3ek8 h ALA 313 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ek8 h ALA 313 CO -0.31 0.35 -0.29 0.93 0.00 0.00 0.00 179.25 179.93 3ek8 h GLU 314 N 0.45 0.82 0.00 0.00 5.08 -0.76 -2.51 114.58 117.66 3ek8 h GLU 314 Ca 0.10 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3ek8 h GLU 314 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ek8 h GLU 314 CO -0.00 1.04 -0.26 0.74 -1.00 0.00 0.00 179.01 179.53 3ek8 h PHE 315 N 0.61 0.00 -0.44 4.33 0.05 -0.83 -2.25 116.94 118.42 3ek8 h PHE 315 Ca 0.06 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.72 3ek8 h PHE 315 Cb 0.86 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.80 3ek8 h PHE 315 CO 0.06 0.26 -0.25 -0.22 -0.18 0.00 0.00 178.31 177.99 3ek8 h LYS 316 N 0.00 0.93 -0.52 1.51 3.64 -1.16 -1.07 116.57 119.90 3ek8 h LYS 316 Ca -0.00 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 3ek8 h LYS 316 Cb 0.48 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3ek8 h LYS 316 CO 0.03 1.07 0.15 1.49 -2.27 0.00 0.00 179.45 179.92 3ek8 h GLU 317 N 0.79 0.82 -0.08 1.90 4.81 -0.96 -1.81 114.58 120.04 3ek8 h GLU 317 Ca 0.10 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3ek8 h GLU 317 Cb 0.82 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3ek8 h GLU 317 CO 0.07 0.77 0.05 0.00 -0.73 0.00 0.00 179.01 179.17 3ek8 h ALA 318 N 1.02 0.11 -0.92 2.92 0.00 -1.43 -2.98 119.26 117.97 3ek8 h ALA 318 Ca 0.17 -0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.30 3ek8 h ALA 318 Cb 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 3ek8 h ALA 318 CO -0.00 -0.36 0.31 0.35 0.00 0.00 0.00 179.25 179.54 3ek8 h PHE 319 N 0.05 0.47 0.00 0.00 3.57 -0.70 0.56 116.94 120.89 3ek8 h PHE 319 Ca 0.03 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3ek8 h PHE 319 Cb 0.06 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3ek8 h PHE 319 CO -0.05 -0.24 -0.18 0.77 -2.23 0.00 0.00 178.31 176.38 3ek8 h SER 320 N 0.21 0.00 -0.59 0.41 0.02 -1.18 0.12 113.55 112.53 3ek8 h SER 320 Ca 0.61 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.51 3ek8 h SER 320 Cb 1.31 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 3ek8 h SER 320 CO -0.67 0.18 0.16 0.25 -1.14 0.00 0.00 176.83 175.60 3ek8 h LEU 321 N 0.00 0.92 0.12 5.07 5.85 -0.88 -3.11 115.31 123.28 3ek8 h LEU 321 Ca -0.00 -0.18 -0.20 0.00 0.84 0.00 0.00 57.88 58.34 3ek8 h LEU 321 Cb 0.51 -0.24 0.02 0.00 0.37 0.00 0.00 40.66 41.32 3ek8 h LEU 321 CO 0.02 0.89 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.91 3ek8 h PHE 322 N 0.94 0.61 -0.69 1.25 0.04 -1.37 -3.40 116.94 114.32 3ek8 h PHE 322 Ca 0.20 -0.42 -0.73 0.00 2.80 0.00 0.00 57.97 59.82 3ek8 h PHE 322 Cb 0.33 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.35 3ek8 h PHE 322 CO 0.02 1.31 2.57 -3.47 -0.60 0.00 0.00 178.31 178.14 3ek8 n ASP 323 N -4.10 4.47 0.26 2.17 2.03 0.37 -4.73 116.55 117.03 3ek8 n ASP 323 Ca -0.13 -2.96 0.15 0.00 0.52 0.00 0.00 54.79 52.37 3ek8 n ASP 323 Cb 0.82 -1.59 0.63 0.00 -0.72 0.00 0.00 41.12 40.26 3ek8 n ASP 323 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3ek8 h LYS 324 N 6.07 0.00 -0.02 -0.67 1.57 -1.78 -0.71 116.57 121.02 3ek8 h LYS 324 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3ek8 h LYS 324 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3ek8 h LYS 324 CO 1.73 0.07 -0.10 -0.40 -0.57 0.00 0.00 179.45 180.17 3ek8 n ASP 325 N -3.20 2.50 -1.30 0.86 5.75 -1.26 -4.98 116.55 114.93 3ek8 n ASP 325 Ca 0.00 -1.78 -0.12 0.00 -0.01 0.00 0.00 54.79 52.88 3ek8 n ASP 325 Cb 0.34 0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 3ek8 n ASP 325 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek8 n GLY 326 N 1.34 0.16 1.01 6.12 0.00 -0.28 -4.90 105.19 108.64 3ek8 n GLY 326 Ca 0.14 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3ek8 n GLY 326 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek8 n ASP 327 N -0.25 2.97 0.00 1.61 5.75 -1.26 -4.95 116.55 120.42 3ek8 n ASP 327 Ca -0.14 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 3ek8 n ASP 327 Cb 0.57 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3ek8 n ASP 327 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek8 n GLY 328 N 1.40 0.67 3.10 6.12 0.00 -1.26 -5.01 105.19 110.21 3ek8 n GLY 328 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3ek8 n GLY 328 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ek8 s THR 329 N -2.57 0.10 -0.28 2.61 -1.32 -1.26 -1.21 115.64 111.70 3ek8 s THR 329 Ca 0.00 -0.82 -0.09 0.00 -1.21 0.00 0.00 61.69 59.58 3ek8 s THR 329 Cb 0.00 -0.54 -0.02 0.00 -1.51 0.00 0.00 72.50 70.43 3ek8 s THR 329 CO 0.00 -0.45 0.12 -0.63 -2.21 0.00 0.00 174.62 171.45 3ek8 s ILE 330 N -1.73 4.51 0.70 5.08 1.01 0.67 -4.81 121.20 126.64 3ek8 s ILE 330 Ca -0.12 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 3ek8 s ILE 330 Cb -0.06 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.26 3ek8 s ILE 330 CO -0.00 0.21 1.01 0.42 0.00 0.00 0.00 174.94 176.58 3ek8 s THR 331 N 1.62 2.31 0.14 2.92 -4.23 -1.26 -2.16 115.64 114.99 3ek8 s THR 331 Ca 0.06 -0.26 -0.17 0.00 -1.18 0.00 0.00 61.69 60.13 3ek8 s THR 331 Cb -0.16 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 3ek8 s THR 331 CO 0.05 -0.01 1.79 0.71 -0.54 0.00 0.00 174.62 176.62 3ek8 h THR 332 N -0.59 1.04 -0.99 3.99 1.35 -1.92 -0.65 112.91 115.15 3ek8 h THR 332 Ca -0.44 -0.14 0.08 0.00 -0.55 0.00 0.00 66.41 65.35 3ek8 h THR 332 Cb 1.31 0.60 -0.07 0.00 -1.73 0.00 0.00 68.15 68.27 3ek8 h THR 332 CO 0.60 0.07 0.64 0.50 -0.25 0.00 0.00 175.52 177.08 3ek8 h LYS 333 N 0.41 1.08 -0.36 4.72 3.64 -1.99 0.16 116.57 124.23 3ek8 h LYS 333 Ca 0.13 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3ek8 h LYS 333 Cb -0.01 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3ek8 h LYS 333 CO -0.06 0.72 -0.29 0.93 -2.27 0.00 0.00 179.45 178.48 3ek8 h GLU 334 N 1.11 0.83 -0.50 1.90 5.08 -1.79 -2.17 114.58 119.05 3ek8 h GLU 334 Ca 0.44 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ek8 h GLU 334 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3ek8 h GLU 334 CO -0.19 1.05 0.26 1.25 -1.00 0.00 0.00 179.01 180.39 3ek8 h LEU 335 N 0.63 0.62 -0.04 1.33 5.85 -0.41 -2.90 115.31 120.40 3ek8 h LEU 335 Ca 0.07 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3ek8 h LEU 335 Cb 0.87 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3ek8 h LEU 335 CO 0.08 0.54 -0.30 1.23 -0.34 0.00 0.00 178.44 179.65 3ek8 h GLY 336 N 0.66 -0.46 -0.57 3.75 0.00 -0.93 -2.18 103.07 103.34 3ek8 h GLY 336 Ca 0.17 0.36 0.11 0.00 0.00 0.00 0.00 47.33 47.97 3ek8 h GLY 336 CO -0.03 -0.22 -0.39 -0.84 0.00 0.00 0.00 176.54 175.06 3ek8 h THR 337 N -0.43 0.10 -0.60 4.70 2.02 -1.19 0.75 112.91 118.26 3ek8 h THR 337 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3ek8 h THR 337 Cb 0.53 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3ek8 h THR 337 CO -0.28 0.00 0.38 0.58 0.37 0.00 0.00 175.52 176.57 3ek8 h VAL 338 N -0.15 1.16 0.06 3.16 2.07 -1.32 -2.07 116.25 119.16 3ek8 h VAL 338 Ca 0.23 -0.33 -0.28 0.00 0.82 0.00 0.00 66.70 67.15 3ek8 h VAL 338 Cb 0.56 0.29 0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3ek8 h VAL 338 CO -0.75 0.16 -1.13 0.24 0.02 0.00 0.00 177.57 176.12 3ek8 h MET 339 N 0.82 0.61 -0.07 1.57 2.86 -0.32 -2.38 114.93 118.03 3ek8 h MET 339 Ca 0.22 -0.73 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 3ek8 h MET 339 Cb -0.07 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 3ek8 h MET 339 CO -0.04 1.32 0.02 0.00 1.06 0.00 0.00 176.91 179.26 3ek8 h ARG 340 N 0.31 0.10 0.00 1.72 3.08 -0.79 -1.79 114.38 117.01 3ek8 h ARG 340 Ca -0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3ek8 h ARG 340 Cb 1.79 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.82 3ek8 h ARG 340 CO 0.21 0.28 0.00 -1.13 -1.07 0.00 0.00 179.97 178.26 3ek8 n SER 341 N -4.93 0.39 -0.83 7.04 3.41 -0.79 -0.63 113.62 117.28 3ek8 n SER 341 Ca -0.06 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 3ek8 n SER 341 Cb 0.13 -0.72 0.23 0.00 -0.26 0.00 0.00 64.21 63.60 3ek8 n SER 341 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ek8 n LEU 342 N -2.00 2.59 0.00 1.04 4.77 -0.77 -4.60 117.00 118.03 3ek8 n LEU 342 Ca 0.00 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3ek8 n LEU 342 Cb 0.08 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3ek8 n LEU 342 CO 0.10 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3ek8 n GLY 343 N 1.31 2.94 3.55 -0.72 0.00 0.20 -5.02 105.19 107.45 3ek8 n GLY 343 Ca 0.16 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 3ek8 n GLY 343 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek8 s GLN 344 N 0.00 -1.07 -0.49 1.61 -0.21 -0.75 -4.90 119.66 113.85 3ek8 s GLN 344 Ca 0.00 0.25 0.06 0.00 0.02 0.00 0.00 55.36 55.69 3ek8 s GLN 344 Cb 0.00 -1.59 0.19 0.00 1.00 0.00 0.00 33.01 32.62 3ek8 s GLN 344 CO 0.00 -3.68 0.75 1.21 -2.12 0.00 0.00 175.29 171.45 3ek8 s ASN 345 N -3.43 -1.35 0.22 5.90 2.47 -1.26 -3.57 114.94 113.91 3ek8 s ASN 345 Ca 0.69 -1.48 0.02 0.00 0.42 0.00 0.00 52.86 52.50 3ek8 s ASN 345 Cb -0.15 1.77 -0.04 0.00 -1.45 0.00 0.00 41.25 41.38 3ek8 s ASN 345 CO 0.58 -0.06 0.37 -2.16 -3.72 0.00 0.00 177.10 172.11 3ek8 s PRO 346 N 1.02 3.47 0.70 0.43 0.04 -1.26 -5.10 135.00 134.30 3ek8 s PRO 346 Ca 0.27 -0.54 -0.11 0.00 0.04 0.00 0.00 61.00 60.66 3ek8 s PRO 346 Cb 0.01 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.69 3ek8 s PRO 346 CO -0.06 0.41 1.09 0.95 0.04 0.00 0.00 177.00 179.43 3ek8 s THR 347 N -1.93 3.47 0.54 1.26 -4.23 -1.26 -4.93 115.64 108.57 3ek8 s THR 347 Ca 0.36 0.46 0.23 0.00 -1.18 0.00 0.00 61.69 61.56 3ek8 s THR 347 Cb -0.10 -3.47 0.34 0.00 1.34 0.00 0.00 72.50 70.61 3ek8 s THR 347 CO 0.30 -0.61 2.09 -0.08 -0.54 0.00 0.00 174.62 175.78 3ek8 h GLU 348 N -0.64 0.00 -0.09 3.99 4.57 -2.00 -2.44 114.58 117.97 3ek8 h GLU 348 Ca -0.45 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.54 3ek8 h GLU 348 Cb 1.25 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3ek8 h GLU 348 CO 0.64 0.00 -0.71 0.00 -1.18 0.00 0.00 179.01 177.76 3ek8 h ALA 349 N 1.86 0.21 -0.68 2.92 0.00 -1.99 -2.62 119.26 118.95 3ek8 h ALA 349 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3ek8 h ALA 349 Cb 0.45 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3ek8 h ALA 349 CO -0.00 0.54 0.38 0.93 0.00 0.00 0.00 179.25 181.10 3ek8 h GLU 350 N 0.29 0.94 -0.38 0.00 5.08 -1.83 -1.23 114.58 117.44 3ek8 h GLU 350 Ca -0.06 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3ek8 h GLU 350 Cb 1.36 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3ek8 h GLU 350 CO 0.14 0.70 0.12 -0.07 -1.00 0.00 0.00 179.01 178.90 3ek8 h LEU 351 N 0.93 0.55 -1.38 1.33 3.38 -1.45 0.49 115.31 119.16 3ek8 h LEU 351 Ca 0.24 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.11 3ek8 h LEU 351 Cb 0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3ek8 h LEU 351 CO -0.04 0.61 0.51 1.56 0.09 0.00 0.00 178.44 181.18 3ek8 h GLN 352 N 0.47 0.66 -0.02 1.13 4.20 -1.33 -1.31 115.11 118.91 3ek8 h GLN 352 Ca 0.12 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3ek8 h GLN 352 Cb 0.26 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3ek8 h GLN 352 CO -0.00 0.44 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.13 3ek8 h ASP 353 N 0.68 0.05 -0.57 1.46 5.19 0.36 -1.12 116.42 122.46 3ek8 h ASP 353 Ca 0.37 -0.54 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 3ek8 h ASP 353 Cb 0.51 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 3ek8 h ASP 353 CO -0.14 0.58 0.37 0.24 -3.12 0.00 0.00 179.24 177.18 3ek8 h MET 354 N -0.49 0.74 -0.84 3.56 2.86 0.14 -1.87 114.93 119.04 3ek8 h MET 354 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3ek8 h MET 354 Cb 0.57 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 3ek8 h MET 354 CO 0.01 0.49 0.42 0.82 1.06 0.00 0.00 176.91 179.71 3ek8 h ILE 355 N 0.76 1.25 0.00 -1.22 2.04 -1.28 -2.09 117.51 116.98 3ek8 h ILE 355 Ca 0.21 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3ek8 h ILE 355 Cb -0.08 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3ek8 h ILE 355 CO -0.05 0.30 -0.04 -1.13 0.00 0.00 0.00 178.15 177.23 3ek8 h ASN 356 N 1.18 0.00 -0.48 1.72 -1.24 -0.40 -1.00 115.58 115.36 3ek8 h ASN 356 Ca 0.29 0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.42 3ek8 h ASN 356 Cb 0.09 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 3ek8 h ASN 356 CO -0.04 0.04 0.34 -0.33 -1.29 0.00 0.00 177.43 176.15 3ek8 h GLU 357 N 0.00 0.11 0.00 6.67 4.39 -0.89 -3.24 114.58 121.62 3ek8 h GLU 357 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3ek8 h GLU 357 Cb 0.10 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3ek8 h GLU 357 CO 0.01 0.07 0.00 1.33 -1.16 0.00 0.00 179.01 179.26 3ek8 n VAL 358 N -4.43 0.15 -2.70 3.13 0.24 -0.50 -4.96 118.33 109.27 3ek8 n VAL 358 Ca 0.08 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.34 61.55 3ek8 n VAL 358 Cb 0.48 1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 34.02 3ek8 n VAL 358 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ek8 s ASP 359 N -0.15 6.72 0.18 -1.34 3.68 -0.51 -4.84 116.67 120.40 3ek8 s ASP 359 Ca 0.00 -2.11 -0.13 0.00 2.13 0.00 0.00 52.55 52.44 3ek8 s ASP 359 Cb 0.00 -2.51 0.09 0.00 -1.45 0.00 0.00 42.92 39.05 3ek8 s ASP 359 CO 0.00 -1.20 1.82 0.00 0.13 0.00 0.00 175.17 175.92 3ek8 h ALA 360 N 8.53 0.76 -0.02 3.66 0.00 -1.90 -2.68 119.26 127.62 3ek8 h ALA 360 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ek8 h ALA 360 Cb 0.95 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ek8 h ALA 360 CO 1.34 0.23 -0.03 -0.40 0.00 0.00 0.00 179.25 180.40 3ek8 n ASP 361 N -4.63 1.61 -1.13 0.00 5.68 -1.26 -4.88 116.55 111.94 3ek8 n ASP 361 Ca 0.04 -1.49 -0.13 0.00 -0.50 0.00 0.00 54.79 52.71 3ek8 n ASP 361 Cb 0.05 0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 3ek8 n ASP 361 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek8 n GLY 362 N 1.21 0.94 0.47 6.12 0.00 -1.01 -4.79 105.19 108.14 3ek8 n GLY 362 Ca 0.18 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3ek8 n GLY 362 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ek8 n ASN 363 N -0.20 1.38 0.00 1.61 0.23 -1.26 -2.28 115.26 114.74 3ek8 n ASN 363 Ca -0.14 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 3ek8 n ASN 363 Cb 0.48 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3ek8 n ASN 363 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ek8 n GLY 364 N 1.00 0.76 3.04 4.83 0.00 -1.26 -5.01 105.19 108.55 3ek8 n GLY 364 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3ek8 n GLY 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek8 s THR 365 N -3.07 0.51 -0.53 2.61 -4.23 -1.26 -4.64 115.64 105.02 3ek8 s THR 365 Ca 0.00 -0.93 -0.27 0.00 -1.18 0.00 0.00 61.69 59.31 3ek8 s THR 365 Cb 0.00 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 73.32 3ek8 s THR 365 CO 0.00 -0.30 1.10 -0.63 -0.54 0.00 0.00 174.62 174.25 3ek8 s ILE 366 N -1.16 4.19 0.56 2.99 1.01 -0.92 -4.86 121.20 123.02 3ek8 s ILE 366 Ca -0.08 0.86 -0.16 0.00 0.00 0.00 0.00 60.65 61.27 3ek8 s ILE 366 Cb -0.09 -4.63 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 3ek8 s ILE 366 CO 0.00 -1.15 1.04 -1.81 0.00 0.00 0.00 174.94 173.02 3ek8 s ASP 367 N 2.72 6.06 0.19 3.58 1.11 -1.26 -0.24 116.67 128.83 3ek8 s ASP 367 Ca 0.41 1.75 -0.20 0.00 0.18 0.00 0.00 52.55 54.70 3ek8 s ASP 367 Cb -0.09 -2.53 0.14 0.00 1.07 0.00 0.00 42.92 41.52 3ek8 s ASP 367 CO 0.26 -0.97 1.59 0.15 1.18 0.00 0.00 175.17 177.37 3ek8 h PHE 368 N 0.65 -0.91 -0.48 4.23 3.57 -1.55 0.52 116.94 122.97 3ek8 h PHE 368 Ca -0.47 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.16 3ek8 h PHE 368 Cb 1.21 0.49 -0.05 0.00 2.79 0.00 0.00 35.95 40.39 3ek8 h PHE 368 CO 0.60 -0.38 0.19 -1.35 -2.23 0.00 0.00 178.31 175.14 3ek8 h PRO 369 N -0.14 0.37 -0.82 6.41 0.11 -1.93 -1.21 132.00 134.79 3ek8 h PRO 369 Ca 0.25 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.44 3ek8 h PRO 369 Cb 0.55 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.50 3ek8 h PRO 369 CO -0.70 0.25 0.46 0.93 -0.21 0.00 0.00 178.00 178.72 3ek8 h GLU 370 N 0.39 0.72 -0.20 1.05 5.08 -1.57 -0.50 114.58 119.54 3ek8 h GLU 370 Ca 0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3ek8 h GLU 370 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ek8 h GLU 370 CO -0.21 0.48 0.13 0.35 -1.00 0.00 0.00 179.01 178.76 3ek8 h PHE 371 N 0.75 0.27 0.40 4.33 3.57 -0.31 -1.30 116.94 124.65 3ek8 h PHE 371 Ca 0.41 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 3ek8 h PHE 371 Cb 0.42 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3ek8 h PHE 371 CO -0.07 0.20 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.73 3ek8 h LEU 372 N 0.25 -1.11 -0.81 0.59 3.38 -0.53 -0.64 115.31 116.44 3ek8 h LEU 372 Ca 0.07 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.30 3ek8 h LEU 372 Cb 0.01 0.37 -0.15 0.00 0.09 0.00 0.00 40.66 40.98 3ek8 h LEU 372 CO -0.01 -0.56 -0.23 0.74 0.09 0.00 0.00 178.44 178.46 3ek8 h THR 373 N -0.83 0.16 -0.25 0.22 2.02 -1.03 0.30 112.91 113.50 3ek8 h THR 373 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3ek8 h THR 373 Cb 0.74 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3ek8 h THR 373 CO -0.07 0.00 0.10 -0.03 0.37 0.00 0.00 175.52 175.90 3ek8 h MET 374 N -0.02 0.22 -0.62 6.66 1.85 -0.90 -1.38 114.93 120.75 3ek8 h MET 374 Ca 0.37 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.36 3ek8 h MET 374 Cb 0.60 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 3ek8 h MET 374 CO -0.84 0.15 0.03 0.52 -0.40 0.00 0.00 176.91 176.37 3ek8 h MET 375 N 0.23 1.06 -0.63 0.39 2.07 0.30 -1.69 114.93 116.66 3ek8 h MET 375 Ca 0.11 -0.32 0.03 0.00 -2.07 0.00 0.00 59.70 57.45 3ek8 h MET 375 Cb 0.06 -0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 29.64 3ek8 h MET 375 CO -0.10 1.02 0.39 0.00 1.07 0.00 0.00 176.91 179.29 3ek8 h ALA 376 N 1.04 0.83 -0.35 6.32 0.00 -0.10 -0.61 119.26 126.38 3ek8 h ALA 376 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3ek8 h ALA 376 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ek8 h ALA 376 CO 0.03 0.13 -0.18 -0.09 0.00 0.00 0.00 179.25 179.13 3ek8 h ARG 377 N 0.75 0.65 0.00 0.00 2.43 -1.09 -1.77 114.38 115.37 3ek8 h ARG 377 Ca 0.26 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3ek8 h ARG 377 Cb 0.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3ek8 h ARG 377 CO -0.11 0.80 0.00 -0.22 -1.51 0.00 0.00 179.97 178.92 3ek8 h LYS 378 N 0.59 0.00 0.03 0.20 1.63 -0.56 -2.64 116.57 115.82 3ek8 h LYS 378 Ca 0.09 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.58 3ek8 h LYS 378 Cb 0.63 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 3ek8 h LYS 378 CO 0.04 0.00 -1.79 -0.12 -3.45 0.00 0.00 179.45 174.14 3ek8 n MET 379 N -3.01 0.67 -0.17 1.90 1.56 -0.31 -4.13 117.12 113.63 3ek8 n MET 379 Ca 0.02 0.29 -0.05 0.00 -0.27 0.00 0.00 57.70 57.69 3ek8 n MET 379 Cb 0.40 -1.77 0.13 0.00 2.15 0.00 0.00 33.22 34.13 3ek8 n MET 379 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 3ek8 h LYS 380 N 0.02 0.94 -6.23 2.12 3.64 -1.22 -3.44 116.57 112.40 3ek8 h LYS 380 Ca -0.32 -0.22 -0.56 0.00 -1.27 0.00 0.00 60.65 58.28 3ek8 h LYS 380 Cb 2.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.68 3ek8 h LYS 380 CO 0.08 0.86 -0.28 -0.51 -2.27 0.00 0.00 179.45 177.33 3ek8 s ASP 381 N -6.55 6.48 -0.02 4.20 1.01 -1.01 -4.73 116.67 116.05 3ek8 s ASP 381 Ca -0.11 0.60 -0.12 0.00 0.71 0.00 0.00 52.55 53.63 3ek8 s ASP 381 Cb 0.15 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.93 3ek8 s ASP 381 CO 0.82 0.00 0.34 -0.89 0.21 0.00 0.00 175.17 175.65 3ek8 s THR 382 N -1.75 5.16 0.32 -1.27 2.01 -1.26 -4.85 115.64 114.00 3ek8 s THR 382 Ca 0.41 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 3ek8 s THR 382 Cb -0.12 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 3ek8 s THR 382 CO 0.26 0.56 1.05 -1.81 -0.69 0.00 0.00 174.62 173.98 3ek8 s ASP 383 N -1.14 7.13 0.84 3.53 1.01 -1.26 -4.85 116.67 121.94 3ek8 s ASP 383 Ca 0.22 2.11 -0.10 0.00 0.71 0.00 0.00 52.55 55.49 3ek8 s ASP 383 Cb -0.15 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.27 3ek8 s ASP 383 CO 0.12 -0.23 1.12 -0.94 0.21 0.00 0.00 175.17 175.44 3ek8 s SER 384 N -1.22 3.72 0.27 0.27 1.04 -1.26 -4.73 113.70 111.79 3ek8 s SER 384 Ca 0.49 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.90 3ek8 s SER 384 Cb -0.27 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.71 3ek8 s SER 384 CO 0.34 -2.56 1.75 1.05 0.98 0.00 0.00 173.24 174.80 3ek8 h GLU 385 N -1.49 0.63 -0.65 4.02 4.11 -1.97 -1.65 114.58 117.57 3ek8 h GLU 385 Ca -0.44 -0.20 0.14 0.00 0.07 0.00 0.00 59.36 58.93 3ek8 h GLU 385 Cb 1.25 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 3ek8 h GLU 385 CO 0.47 0.74 -0.05 0.93 0.07 0.00 0.00 179.01 181.16 3ek8 h GLU 386 N 0.58 0.07 -0.54 1.06 3.07 -1.99 0.17 114.58 117.00 3ek8 h GLU 386 Ca 0.10 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3ek8 h GLU 386 Cb 0.55 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3ek8 h GLU 386 CO 0.03 0.05 0.20 0.93 -1.40 0.00 0.00 179.01 178.82 3ek8 h GLU 387 N 0.07 0.81 -0.48 2.33 5.08 -1.78 -2.02 114.58 118.59 3ek8 h GLU 387 Ca 0.34 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3ek8 h GLU 387 Cb 0.55 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3ek8 h GLU 387 CO -0.60 0.72 -0.09 0.82 -1.00 0.00 0.00 179.01 178.86 3ek8 h ILE 388 N 0.73 1.26 -0.42 3.13 2.04 -0.73 -2.36 117.51 121.16 3ek8 h ILE 388 Ca 0.18 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3ek8 h ILE 388 Cb 0.22 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3ek8 h ILE 388 CO -0.01 0.41 0.24 0.03 0.00 0.00 0.00 178.15 178.82 3ek8 h ARG 389 N 0.79 0.46 -0.90 2.37 3.08 -0.43 -0.58 114.38 119.18 3ek8 h ARG 389 Ca 0.13 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.27 3ek8 h ARG 389 Cb 0.60 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 3ek8 h ARG 389 CO 0.04 0.31 0.53 0.93 -1.07 0.00 0.00 179.97 180.71 3ek8 h GLU 390 N 0.48 0.82 -0.78 0.04 5.08 -1.16 0.26 114.58 119.32 3ek8 h GLU 390 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3ek8 h GLU 390 Cb 0.03 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3ek8 h GLU 390 CO -0.09 0.54 0.44 0.00 -1.00 0.00 0.00 179.01 178.90 3ek8 h ALA 391 N 1.51 1.31 0.43 3.43 0.00 -0.88 -2.70 119.26 122.35 3ek8 h ALA 391 Ca 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3ek8 h ALA 391 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ek8 h ALA 391 CO -0.27 0.57 -0.21 0.35 0.00 0.00 0.00 179.25 179.69 3ek8 h PHE 392 N 1.08 -0.53 0.00 0.00 3.57 0.85 -3.01 116.94 118.89 3ek8 h PHE 392 Ca 0.28 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3ek8 h PHE 392 Cb 0.00 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3ek8 h PHE 392 CO 0.01 -0.21 0.37 0.00 -2.23 0.00 0.00 178.31 176.24 3ek8 h ARG 393 N -0.86 0.00 -0.17 1.11 3.08 -0.53 0.65 114.38 117.65 3ek8 h ARG 393 Ca -0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 3ek8 h ARG 393 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3ek8 h ARG 393 CO 0.10 0.00 -0.54 0.28 -1.07 0.00 0.00 179.97 178.74 3ek8 h VAL 394 N 0.00 1.33 0.00 2.04 2.07 -1.34 -3.37 116.25 116.98 3ek8 h VAL 394 Ca 0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3ek8 h VAL 394 Cb 0.74 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3ek8 h VAL 394 CO 0.00 0.55 -0.39 -0.26 0.02 0.00 0.00 177.57 177.49 3ek8 h PHE 395 N 0.39 0.00 0.00 1.57 0.04 0.11 -3.40 116.94 115.65 3ek8 h PHE 395 Ca 0.01 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.49 3ek8 h PHE 395 Cb 1.07 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.28 3ek8 h PHE 395 CO 0.04 0.00 1.43 -3.47 -0.60 0.00 0.00 178.31 175.71 3ek8 n ASP 396 N -4.65 1.13 -0.27 2.17 4.64 -0.01 -4.73 116.55 114.84 3ek8 n ASP 396 Ca -0.05 -2.26 0.04 0.00 -1.38 0.00 0.00 54.79 51.14 3ek8 n ASP 396 Cb 0.20 -0.63 0.17 0.00 -1.04 0.00 0.00 41.12 39.83 3ek8 n ASP 396 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3ek8 h LYS 397 N 8.42 0.57 0.00 -0.67 1.79 -1.79 0.01 116.57 124.91 3ek8 h LYS 397 Ca 0.18 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3ek8 h LYS 397 Cb 0.30 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3ek8 h LYS 397 CO 1.47 0.38 -0.15 0.38 -1.08 0.00 0.00 179.45 180.45 3ek8 h ASP 398 N 0.59 0.00 0.00 0.86 -0.00 -1.92 -3.48 116.42 112.48 3ek8 h ASP 398 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.43 3ek8 h ASP 398 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.83 3ek8 h ASP 398 CO -0.32 0.07 0.00 0.61 -0.00 0.00 0.00 179.24 179.60 3ek8 n GLY 399 N 1.12 0.66 0.14 7.15 0.00 -0.01 -4.95 105.19 109.30 3ek8 n GLY 399 Ca 0.03 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.80 3ek8 n GLY 399 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ek8 n ASN 400 N 0.65 0.54 0.00 1.61 6.94 -1.26 -4.83 115.26 118.92 3ek8 n ASN 400 Ca 0.00 0.70 0.00 0.00 -0.02 0.00 0.00 54.58 55.26 3ek8 n ASN 400 Cb 0.00 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 36.63 3ek8 n ASN 400 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ek8 n GLY 401 N -0.83 0.75 2.91 4.83 0.00 -1.26 -5.08 105.19 106.50 3ek8 n GLY 401 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ek8 n GLY 401 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ek8 s TYR 402 N -2.00 -0.06 -0.40 1.61 1.51 -1.26 -4.05 117.35 112.70 3ek8 s TYR 402 Ca 0.00 0.20 -0.22 0.00 -1.01 0.00 0.00 57.07 56.04 3ek8 s TYR 402 Cb 0.00 -0.03 0.01 0.00 -0.11 0.00 0.00 41.96 41.84 3ek8 s TYR 402 CO 0.00 -0.06 0.71 0.42 -1.11 0.00 0.00 175.55 175.52 3ek8 s ILE 403 N 0.31 4.77 0.48 2.71 1.01 0.13 -4.69 121.20 125.92 3ek8 s ILE 403 Ca -0.02 0.52 -0.15 0.00 0.00 0.00 0.00 60.65 61.00 3ek8 s ILE 403 Cb -0.03 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 3ek8 s ILE 403 CO -0.01 -0.51 0.91 -0.94 0.00 0.00 0.00 174.94 174.39 3ek8 s SER 404 N 1.94 6.59 0.30 3.58 1.04 -1.26 -2.14 113.70 123.75 3ek8 s SER 404 Ca 0.27 1.42 0.06 0.00 0.48 0.00 0.00 55.95 58.18 3ek8 s SER 404 Cb -0.13 -2.45 0.79 0.00 0.10 0.00 0.00 66.02 64.33 3ek8 s SER 404 CO 0.18 -0.52 1.69 0.00 0.98 0.00 0.00 173.24 175.57 3ek8 h ALA 405 N 1.03 1.54 -0.37 5.32 0.00 -1.97 -1.89 119.26 122.92 3ek8 h ALA 405 Ca -0.47 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3ek8 h ALA 405 Cb 1.19 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3ek8 h ALA 405 CO 0.62 -0.36 -0.11 0.00 0.00 0.00 0.00 179.25 179.40 3ek8 h ALA 406 N 1.73 0.51 -0.77 0.00 0.00 -1.97 -2.88 119.26 115.88 3ek8 h ALA 406 Ca 0.59 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3ek8 h ALA 406 Cb 1.16 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3ek8 h ALA 406 CO -0.54 0.39 0.50 0.93 0.00 0.00 0.00 179.25 180.53 3ek8 h GLU 407 N 0.53 0.97 -0.50 0.00 5.08 -1.72 -1.67 114.58 117.28 3ek8 h GLU 407 Ca 0.09 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3ek8 h GLU 407 Cb 0.63 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3ek8 h GLU 407 CO 0.04 0.64 0.04 1.25 -1.00 0.00 0.00 179.01 179.98 3ek8 h LEU 408 N 1.00 0.77 0.67 1.33 5.85 -1.34 -2.66 115.31 120.93 3ek8 h LEU 408 Ca 0.30 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3ek8 h LEU 408 Cb -0.06 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.78 3ek8 h LEU 408 CO -0.09 0.81 -0.32 -0.09 -0.34 0.00 0.00 178.44 178.41 3ek8 h ARG 409 N 0.76 -0.87 -0.91 1.25 2.43 -1.28 -2.84 114.38 112.92 3ek8 h ARG 409 Ca 0.15 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.59 3ek8 h ARG 409 Cb 0.41 0.20 -0.17 0.00 -0.42 0.00 0.00 29.97 29.98 3ek8 h ARG 409 CO 0.01 -0.54 -0.15 1.58 -1.51 0.00 0.00 179.97 179.36 3ek8 n HIS 410 N -5.42 0.41 0.13 2.20 -0.00 -0.65 -0.82 115.22 111.07 3ek8 n HIS 410 Ca -0.13 1.10 -0.14 0.00 0.46 0.00 0.00 57.72 59.02 3ek8 n HIS 410 Cb 0.38 -1.08 -0.08 0.00 -0.12 0.00 0.00 29.99 29.09 3ek8 n HIS 410 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3ek8 h VAL 411 N 0.00 0.84 -0.46 3.57 2.07 -1.46 -2.82 116.25 117.99 3ek8 h VAL 411 Ca 0.47 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 3ek8 h VAL 411 Cb 0.81 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3ek8 h VAL 411 CO -0.91 0.06 0.13 0.24 0.02 0.00 0.00 177.57 177.11 3ek8 h MET 412 N -0.40 0.73 -0.36 1.57 2.86 -0.73 -1.12 114.93 117.48 3ek8 h MET 412 Ca -0.03 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3ek8 h MET 412 Cb 0.31 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 3ek8 h MET 412 CO 0.05 0.70 -0.11 1.15 1.06 0.00 0.00 176.91 179.76 3ek8 h THR 413 N 0.61 0.59 -0.17 2.22 2.02 -1.18 -2.01 112.91 115.00 3ek8 h THR 413 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 3ek8 h THR 413 Cb 0.29 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3ek8 h THR 413 CO -0.00 0.00 -0.05 0.78 0.37 0.00 0.00 175.52 176.62 3ek8 h ASN 414 N -0.03 0.23 0.33 4.18 -0.26 -1.19 -2.53 115.58 116.31 3ek8 h ASN 414 Ca 0.18 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3ek8 h ASN 414 Cb 0.30 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3ek8 h ASN 414 CO -0.39 0.32 0.00 0.18 -1.06 0.00 0.00 177.43 176.49 3ek8 n LEU 415 N -4.34 0.00 -0.87 1.61 4.77 -0.46 -4.80 117.00 112.90 3ek8 n LEU 415 Ca -0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3ek8 n LEU 415 Cb 0.21 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ek8 n LEU 415 CO 0.37 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3ek8 n GLY 416 N 0.70 0.65 2.85 -0.72 0.00 -0.95 -5.04 105.19 102.69 3ek8 n GLY 416 Ca 0.13 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 3ek8 n GLY 416 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ek8 s GLU 417 N -2.65 0.34 -0.12 1.61 2.02 -0.91 -5.04 118.70 113.96 3ek8 s GLU 417 Ca 0.00 0.18 -0.29 0.00 0.02 0.00 0.00 54.97 54.88 3ek8 s GLU 417 Cb 0.00 -0.55 -0.01 0.00 0.10 0.00 0.00 34.13 33.66 3ek8 s GLU 417 CO 0.00 -0.88 0.97 0.15 0.02 0.00 0.00 175.26 175.53 3ek8 s LYS 418 N 2.47 4.40 -0.01 1.61 -0.14 -1.26 -3.58 119.74 123.23 3ek8 s LYS 418 Ca 0.10 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 3ek8 s LYS 418 Cb -0.14 -3.55 0.01 0.00 -1.68 0.00 0.00 37.83 32.48 3ek8 s LYS 418 CO -0.25 -0.31 0.01 -0.51 -0.76 0.00 0.00 175.35 173.53 3ek8 s LEU 419 N 2.02 1.62 1.20 3.17 1.43 -1.26 -5.11 118.68 121.75 3ek8 s LEU 419 Ca 0.46 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 3ek8 s LEU 419 Cb -0.18 -0.04 0.29 0.00 0.03 0.00 0.00 46.19 46.29 3ek8 s LEU 419 CO 0.17 -0.05 1.02 0.42 0.23 0.00 0.00 176.35 178.14 3ek8 s THR 420 N 0.44 1.83 -0.02 5.49 -4.23 -1.26 -4.75 115.64 113.15 3ek8 s THR 420 Ca -0.04 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.22 3ek8 s THR 420 Cb -0.05 -2.15 -0.19 0.00 1.34 0.00 0.00 72.50 71.44 3ek8 s THR 420 CO -0.01 0.00 1.27 0.44 -0.54 0.00 0.00 174.62 175.78 3ek8 h ASP 421 N -2.71 -0.04 -0.71 3.99 3.45 -2.01 -1.00 116.42 117.38 3ek8 h ASP 421 Ca -0.57 -0.43 0.20 0.00 0.43 0.00 0.00 57.03 56.66 3ek8 h ASP 421 Cb 1.34 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 40.08 3ek8 h ASP 421 CO 0.47 0.41 0.51 -0.33 -1.57 0.00 0.00 179.24 178.73 3ek8 h GLU 422 N -0.50 0.06 0.50 3.56 3.07 -1.97 0.83 114.58 120.12 3ek8 h GLU 422 Ca -0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3ek8 h GLU 422 Cb 0.46 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3ek8 h GLU 422 CO 0.01 0.04 -0.24 1.49 -1.40 0.00 0.00 179.01 178.91 3ek8 h GLU 423 N 0.06 -0.64 0.00 2.33 4.57 -1.88 -1.41 114.58 117.61 3ek8 h GLU 423 Ca 0.34 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.58 3ek8 h GLU 423 Cb 1.28 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.98 3ek8 h GLU 423 CO -0.02 -0.43 -0.33 0.28 -1.18 0.00 0.00 179.01 177.32 3ek8 h VAL 424 N -0.73 0.00 -1.08 0.32 2.07 0.12 -2.05 116.25 114.89 3ek8 h VAL 424 Ca -0.07 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.75 3ek8 h VAL 424 Cb 0.51 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.17 3ek8 h VAL 424 CO 0.11 0.00 0.68 0.44 0.02 0.00 0.00 177.57 178.82 3ek8 h ASP 425 N -0.42 0.44 -0.63 0.57 3.45 0.50 0.22 116.42 120.55 3ek8 h ASP 425 Ca 0.01 0.11 -0.06 0.00 0.43 0.00 0.00 57.03 57.52 3ek8 h ASP 425 Cb 0.45 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 3ek8 h ASP 425 CO -0.22 0.01 0.17 -0.08 -1.57 0.00 0.00 179.24 177.55 3ek8 h GLU 426 N 0.35 1.01 -0.10 3.56 4.57 -0.57 0.67 114.58 124.07 3ek8 h GLU 426 Ca 0.66 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.60 3ek8 h GLU 426 Cb 1.69 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 30.14 3ek8 h GLU 426 CO -0.38 0.90 0.06 0.52 -1.18 0.00 0.00 179.01 178.93 3ek8 h MET 427 N 0.93 0.14 -0.06 1.92 2.86 -0.05 0.13 114.93 120.80 3ek8 h MET 427 Ca 0.20 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 3ek8 h MET 427 Cb 0.34 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 3ek8 h MET 427 CO -0.00 0.16 -0.17 0.82 1.06 0.00 0.00 176.91 178.78 3ek8 h ILE 428 N 0.08 0.57 -0.99 -1.22 1.08 -1.10 -2.24 117.51 113.69 3ek8 h ILE 428 Ca 0.04 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.69 3ek8 h ILE 428 Cb 0.06 0.57 -0.10 0.00 -3.07 0.00 0.00 36.82 34.28 3ek8 h ILE 428 CO -0.01 0.00 0.61 -0.09 -0.69 0.00 0.00 178.15 177.98 3ek8 h ARG 429 N -0.25 0.73 -0.44 2.37 1.12 0.64 -2.21 114.38 116.34 3ek8 h ARG 429 Ca 0.07 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 3ek8 h ARG 429 Cb 0.35 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 3ek8 h ARG 429 CO -0.20 0.49 0.08 0.93 -3.11 0.00 0.00 179.97 178.16 3ek8 h GLU 430 N 0.76 0.72 0.00 0.20 4.39 -0.16 -3.18 114.58 117.30 3ek8 h GLU 430 Ca 0.55 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3ek8 h GLU 430 Cb 0.87 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3ek8 h GLU 430 CO -0.34 0.74 -0.38 0.00 -1.16 0.00 0.00 179.01 177.87 3ek8 h ALA 431 N 0.95 0.76 -0.56 3.43 0.00 -1.16 -3.44 119.26 119.24 3ek8 h ALA 431 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.70 3ek8 h ALA 431 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3ek8 h ALA 431 CO 0.01 0.00 1.06 0.34 0.00 0.00 0.00 179.25 180.66 3ek8 s ASP 432 N -4.69 5.19 0.00 0.00 -1.08 -0.87 -4.83 116.67 110.38 3ek8 s ASP 432 Ca 0.07 -1.47 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 3ek8 s ASP 432 Cb 0.12 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 3ek8 s ASP 432 CO 0.68 -2.87 0.96 -0.38 0.52 0.00 0.00 175.17 174.09 3ek8 n ILE 433 N 7.72 0.00 0.01 4.11 5.41 -1.26 -3.90 119.36 131.45 3ek8 n ILE 433 Ca 0.44 1.46 -0.13 0.00 1.00 0.00 0.00 62.75 65.52 3ek8 n ILE 433 Cb 0.47 -2.43 -0.09 0.00 -0.71 0.00 0.00 39.64 36.88 3ek8 n ILE 433 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 3ek8 h ASP 434 N 0.00 0.01 0.00 4.38 -0.00 -1.94 -3.48 116.42 115.39 3ek8 h ASP 434 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 3ek8 h ASP 434 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3ek8 h ASP 434 CO 0.00 0.28 0.00 0.61 -0.00 0.00 0.00 179.24 180.13 3ek8 n GLY 435 N -0.34 0.96 0.44 7.15 0.00 -1.25 -5.02 105.19 107.13 3ek8 n GLY 435 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3ek8 n GLY 435 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek8 n ASP 436 N 0.00 1.36 -0.33 1.61 5.75 -1.26 -4.92 116.55 118.75 3ek8 n ASP 436 Ca 0.00 -1.56 -0.04 0.00 -0.01 0.00 0.00 54.79 53.18 3ek8 n ASP 436 Cb 0.00 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 3ek8 n ASP 436 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek8 n GLY 437 N 1.11 0.72 3.43 6.12 0.00 -1.26 -5.03 105.19 110.28 3ek8 n GLY 437 Ca 0.18 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3ek8 n GLY 437 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek8 s GLN 438 N -2.32 1.62 -0.19 1.61 -0.21 -1.26 -4.49 119.66 114.42 3ek8 s GLN 438 Ca 0.00 -1.61 -0.00 0.00 0.02 0.00 0.00 55.36 53.77 3ek8 s GLN 438 Cb 0.00 0.40 0.01 0.00 1.00 0.00 0.00 33.01 34.42 3ek8 s GLN 438 CO 0.00 -0.64 -0.16 0.08 -2.12 0.00 0.00 175.29 172.45 3ek8 s VAL 439 N -3.63 2.38 0.48 1.09 1.01 -0.91 -4.67 120.40 116.15 3ek8 s VAL 439 Ca 0.31 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.54 3ek8 s VAL 439 Cb 0.02 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.41 3ek8 s VAL 439 CO 0.16 0.51 0.66 0.54 0.00 0.00 0.00 175.10 176.97 3ek8 s ASN 440 N 1.31 5.44 0.19 3.32 4.22 -1.26 0.19 114.94 128.35 3ek8 s ASN 440 Ca 0.05 -0.49 -0.18 0.00 -2.14 0.00 0.00 52.86 50.10 3ek8 s ASN 440 Cb -0.13 -0.41 0.16 0.00 1.28 0.00 0.00 41.25 42.14 3ek8 s ASN 440 CO -0.10 -0.98 1.61 0.22 -2.04 0.00 0.00 177.10 175.81 3ek8 h TYR 441 N 0.43 -0.60 -0.52 1.54 3.20 -2.00 -0.88 116.97 118.14 3ek8 h TYR 441 Ca -0.37 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 3ek8 h TYR 441 Cb 1.28 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.87 3ek8 h TYR 441 CO 0.39 -0.32 0.28 0.93 -1.64 0.00 0.00 178.16 177.79 3ek8 h GLU 442 N -0.11 0.71 -0.22 1.82 3.07 -1.95 -1.45 114.58 116.44 3ek8 h GLU 442 Ca 0.25 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.88 3ek8 h GLU 442 Cb 0.49 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 3ek8 h GLU 442 CO -0.61 0.53 -0.50 0.93 -1.40 0.00 0.00 179.01 177.96 3ek8 h GLU 443 N 0.71 0.62 0.51 2.33 5.08 -1.63 -3.10 114.58 119.11 3ek8 h GLU 443 Ca 0.18 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3ek8 h GLU 443 Cb 0.03 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.32 3ek8 h GLU 443 CO -0.03 0.98 -0.25 0.35 -1.00 0.00 0.00 179.01 179.06 3ek8 h PHE 444 N 0.49 -0.64 -0.79 4.33 3.04 -0.46 -2.54 116.94 120.37 3ek8 h PHE 444 Ca 0.02 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.11 3ek8 h PHE 444 Cb 1.05 0.21 -0.15 0.00 2.56 0.00 0.00 35.95 39.62 3ek8 h PHE 444 CO 0.05 -0.33 -0.23 0.28 -2.02 0.00 0.00 178.31 176.05 3ek8 h VAL 445 N -0.84 0.17 0.00 1.41 2.07 -1.37 0.11 116.25 117.80 3ek8 h VAL 445 Ca -0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3ek8 h VAL 445 Cb 0.59 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3ek8 h VAL 445 CO 0.12 0.00 -0.02 1.56 0.02 0.00 0.00 177.57 179.24 3ek8 h GLN 446 N -0.02 0.00 -0.32 1.57 4.20 -1.45 -2.06 115.11 117.04 3ek8 h GLN 446 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3ek8 h GLN 446 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3ek8 h GLN 446 CO -0.82 0.02 0.00 -1.33 -0.67 0.00 0.00 178.83 176.03 3ek8 n MET 447 N -3.14 2.25 -0.93 1.46 2.81 0.12 -3.88 117.12 115.81 3ek8 n MET 447 Ca -0.00 -2.07 -0.09 0.00 -1.81 0.00 0.00 57.70 53.72 3ek8 n MET 447 Cb 0.26 -1.43 0.21 0.00 -0.71 0.00 0.00 33.22 31.55 3ek8 n MET 447 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3ek8 n MET 448 N 1.20 2.25 0.00 0.03 2.81 0.15 -4.94 117.12 118.62 3ek8 n MET 448 Ca 0.16 -3.10 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 3ek8 n MET 448 Cb 0.53 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 3ek8 n MET 448 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89