#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek7 h SER 40 N 0.00 1.02 -0.40 -3.46 0.02 -2.05 -0.45 113.55 108.23 3ek7 h SER 40 Ca 0.00 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3ek7 h SER 40 Cb 0.00 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.22 3ek7 h SER 40 CO 0.00 0.96 0.08 -0.09 -1.14 0.00 0.00 176.83 176.64 3ek7 h ARG 41 N 1.02 0.20 -0.92 3.45 2.43 -2.05 -0.41 114.38 118.10 3ek7 h ARG 41 Ca 0.22 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3ek7 h ARG 41 Cb 0.32 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 3ek7 h ARG 41 CO -0.00 0.13 0.60 -0.09 -1.51 0.00 0.00 179.97 179.10 3ek7 h ARG 42 N 0.21 1.21 -0.50 0.20 2.43 -1.96 -1.26 114.38 114.72 3ek7 h ARG 42 Ca 0.19 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3ek7 h ARG 42 Cb 0.23 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3ek7 h ARG 42 CO -0.25 0.81 0.15 0.87 -1.51 0.00 0.00 179.97 180.04 3ek7 h LYS 43 N 1.24 0.78 -0.06 0.20 1.57 -0.49 -0.88 116.57 118.93 3ek7 h LYS 43 Ca 0.34 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3ek7 h LYS 43 Cb -0.14 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 3ek7 h LYS 43 CO -0.07 0.73 0.04 -1.49 -0.57 0.00 0.00 179.45 178.09 3ek7 h TRP 44 N 0.68 0.07 -0.48 -1.35 4.06 -0.92 -1.78 115.95 116.23 3ek7 h TRP 44 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 3ek7 h TRP 44 Cb 0.28 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3ek7 h TRP 44 CO 0.02 0.05 0.31 -0.91 -3.56 0.00 0.00 178.44 174.34 3ek7 h ASN 45 N 0.08 0.56 -0.41 -3.49 2.35 -1.10 0.40 115.58 113.97 3ek7 h ASN 45 Ca 0.02 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3ek7 h ASN 45 Cb -0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3ek7 h ASN 45 CO -0.01 0.42 -0.17 0.07 -1.65 0.00 0.00 177.43 176.08 3ek7 h LYS 46 N 0.64 0.84 -0.24 0.81 2.10 -1.11 0.13 116.57 119.74 3ek7 h LYS 46 Ca 0.17 -0.36 -0.03 0.00 -2.00 0.00 0.00 60.65 58.44 3ek7 h LYS 46 Cb -0.05 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 3ek7 h LYS 46 CO -0.04 0.99 0.05 1.15 -2.00 0.00 0.00 179.45 179.61 3ek7 h THR 47 N 0.66 1.22 -0.57 0.07 2.02 -1.19 -2.30 112.91 112.82 3ek7 h THR 47 Ca 0.09 -0.73 0.09 0.00 0.77 0.00 0.00 66.41 66.63 3ek7 h THR 47 Cb 0.73 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.31 3ek7 h THR 47 CO 0.06 0.23 0.18 1.23 0.37 0.00 0.00 175.52 177.59 3ek7 h GLY 48 N 0.20 0.77 0.96 2.16 0.00 0.07 -0.80 103.07 106.43 3ek7 h GLY 48 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3ek7 h GLY 48 CO 0.00 -0.04 0.21 0.45 0.00 0.00 0.00 176.54 177.16 3ek7 h HIS 49 N 0.35 0.61 -0.08 5.60 3.86 -0.63 0.96 115.15 125.82 3ek7 h HIS 49 Ca 0.29 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.48 3ek7 h HIS 49 Cb 0.36 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3ek7 h HIS 49 CO -0.19 0.50 -0.02 0.00 0.86 0.00 0.00 177.93 179.08 3ek7 h ALA 50 N 1.05 0.05 -0.56 2.45 0.00 -1.06 0.84 119.26 122.04 3ek7 h ALA 50 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ek7 h ALA 50 Cb 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ek7 h ALA 50 CO -0.02 -0.49 0.34 0.28 0.00 0.00 0.00 179.25 179.36 3ek7 h VAL 51 N 0.00 1.07 -0.63 0.00 2.07 -0.86 -2.40 116.25 115.52 3ek7 h VAL 51 Ca 0.04 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3ek7 h VAL 51 Cb 0.05 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3ek7 h VAL 51 CO -0.08 0.12 0.22 0.03 0.02 0.00 0.00 177.57 177.89 3ek7 h ARG 52 N 0.68 0.93 -0.47 1.57 3.08 -0.65 -2.28 114.38 117.24 3ek7 h ARG 52 Ca 0.22 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3ek7 h ARG 52 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3ek7 h ARG 52 CO -0.09 0.78 0.26 0.00 -1.07 0.00 0.00 179.97 179.86 3ek7 h ALA 53 N 1.33 0.60 -0.96 0.04 0.00 -0.49 0.63 119.26 120.41 3ek7 h ALA 53 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ek7 h ALA 53 Cb 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3ek7 h ALA 53 CO -0.01 -0.06 0.63 0.82 0.00 0.00 0.00 179.25 180.62 3ek7 h ILE 54 N 0.52 1.22 -0.54 0.00 2.04 -1.14 0.75 117.51 120.36 3ek7 h ILE 54 Ca 0.20 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3ek7 h ILE 54 Cb 0.06 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 35.95 3ek7 h ILE 54 CO -0.11 0.23 0.22 1.23 0.00 0.00 0.00 178.15 179.72 3ek7 h GLY 55 N 1.27 0.87 1.01 5.37 0.00 -0.77 0.22 103.07 111.05 3ek7 h GLY 55 Ca 0.36 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 3ek7 h GLY 55 CO -0.09 0.44 -0.15 3.21 0.00 0.00 0.00 176.54 179.95 3ek7 h ARG 56 N 0.74 0.83 -0.78 4.80 3.08 -0.60 -2.53 114.38 119.92 3ek7 h ARG 56 Ca 0.18 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3ek7 h ARG 56 Cb 0.19 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3ek7 h ARG 56 CO -0.02 0.97 0.37 -0.07 -1.07 0.00 0.00 179.97 180.16 3ek7 h LEU 57 N 0.64 1.02 -1.40 3.04 3.38 -0.66 -3.18 115.31 118.16 3ek7 h LEU 57 Ca 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3ek7 h LEU 57 Cb 0.70 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3ek7 h LEU 57 CO 0.05 0.87 -0.24 0.28 0.09 0.00 0.00 178.44 179.49 3ek7 h SER 58 N 1.10 0.00 -3.63 -0.43 0.02 -0.47 -3.41 113.55 106.72 3ek7 h SER 58 Ca 0.27 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.59 3ek7 h SER 58 Cb 0.13 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.53 3ek7 h SER 58 CO -0.03 0.24 -0.08 -0.94 -1.14 0.00 0.00 176.83 174.88 3ek7 s SER 59 N -6.36 6.37 -0.07 3.07 1.04 -0.96 -5.01 113.70 111.78 3ek7 s SER 59 Ca -0.01 0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 3ek7 s SER 59 Cb 0.12 -2.26 0.04 0.00 0.10 0.00 0.00 66.02 64.02 3ek7 s SER 59 CO 0.64 -0.28 0.13 -0.76 0.98 0.00 0.00 173.24 173.95 3ek7 s LEU 60 N 2.25 0.25 -0.00 2.42 1.02 -1.26 -4.95 118.68 118.41 3ek7 s LEU 60 Ca 0.19 0.25 0.22 0.00 0.02 0.00 0.00 54.13 54.81 3ek7 s LEU 60 Cb -0.16 0.18 0.62 0.00 0.02 0.00 0.00 46.19 46.86 3ek7 s LEU 60 CO 0.10 -0.21 1.52 -0.62 0.02 0.00 0.00 176.35 177.16 3ek7 n GLU 61 N 4.96 2.75 -1.72 1.70 1.02 -1.26 -4.58 120.64 123.51 3ek7 n GLU 61 Ca -0.11 -2.62 -0.37 0.00 -0.02 0.00 0.00 57.16 54.03 3ek7 n GLU 61 Cb 0.50 -1.55 0.06 0.00 -0.02 0.00 0.00 31.44 30.44 3ek7 n GLU 61 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ek7 n ASN 62 N 1.56 2.06 -4.51 1.62 3.02 -1.26 -4.69 115.26 113.06 3ek7 n ASN 62 Ca 0.24 0.85 -0.43 0.00 -0.03 0.00 0.00 54.58 55.21 3ek7 n ASN 62 Cb 0.61 -1.55 -0.08 0.00 -0.61 0.00 0.00 39.78 38.15 3ek7 n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ek7 s VAL 63 N -1.38 5.01 -0.31 2.41 1.01 -0.65 -4.62 120.40 121.88 3ek7 s VAL 63 Ca 0.81 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 3ek7 s VAL 63 Cb -0.39 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 3ek7 s VAL 63 CO 0.42 -0.42 0.54 -0.31 0.00 0.00 0.00 175.10 175.32 3ek7 s TYR 64 N 2.35 3.21 -0.11 5.22 2.02 -1.00 -1.09 117.35 127.96 3ek7 s TYR 64 Ca 0.16 0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 57.26 3ek7 s TYR 64 Cb -0.16 -2.87 -0.03 0.00 -0.40 0.00 0.00 41.96 38.50 3ek7 s TYR 64 CO 0.15 -0.43 -0.03 0.42 -1.57 0.00 0.00 175.55 174.09 3ek7 s ILE 65 N 2.41 4.00 0.11 2.71 1.01 -0.35 -2.17 121.20 128.92 3ek7 s ILE 65 Ca 0.21 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.55 3ek7 s ILE 65 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3ek7 s ILE 65 CO 0.12 0.55 -0.09 -0.04 0.00 0.00 0.00 174.94 175.47 3ek7 s MET 66 N -0.31 0.88 0.47 2.79 -1.94 0.11 -2.09 119.30 119.20 3ek7 s MET 66 Ca 0.05 -1.24 -0.23 0.00 -1.71 0.00 0.00 55.69 52.57 3ek7 s MET 66 Cb -0.12 -0.49 -0.07 0.00 2.01 0.00 0.00 34.83 36.16 3ek7 s MET 66 CO 0.02 0.06 1.20 0.00 -0.01 0.00 0.00 175.02 176.29 3ek7 s ALA 67 N -2.80 2.97 -0.63 3.03 0.00 -1.24 -0.38 121.76 122.71 3ek7 s ALA 67 Ca 0.08 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.10 3ek7 s ALA 67 Cb -0.01 -3.41 0.16 0.00 0.00 0.00 0.00 23.12 19.87 3ek7 s ALA 67 CO -0.01 -0.76 0.44 0.34 0.00 0.00 0.00 175.76 175.77 3ek7 s ASP 68 N -1.26 4.18 0.25 0.00 2.15 0.14 -4.63 116.67 117.51 3ek7 s ASP 68 Ca 0.64 -3.60 -0.02 0.00 0.43 0.00 0.00 52.55 50.00 3ek7 s ASP 68 Cb -0.31 -1.41 0.31 0.00 -0.30 0.00 0.00 42.92 41.21 3ek7 s ASP 68 CO 0.37 -0.12 1.74 0.11 -0.17 0.00 0.00 175.17 177.11 3ek7 h LYS 69 N 5.59 0.78 -0.35 4.34 1.57 -1.95 -1.13 116.57 125.43 3ek7 h LYS 69 Ca 0.14 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3ek7 h LYS 69 Cb 0.80 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3ek7 h LYS 69 CO 0.65 0.81 0.24 1.96 -0.57 0.00 0.00 179.45 182.54 3ek7 h GLN 70 N 0.72 0.21 -0.53 3.15 1.08 -1.94 -1.39 115.11 116.41 3ek7 h GLN 70 Ca 0.14 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3ek7 h GLN 70 Cb 0.50 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3ek7 h GLN 70 CO 0.03 0.14 0.00 1.63 -0.95 0.00 0.00 178.83 179.67 3ek7 n LYS 71 N -4.48 2.40 -3.94 1.46 5.02 -0.73 -4.94 118.16 112.96 3ek7 n LYS 71 Ca 0.04 -2.16 -0.30 0.00 -2.02 0.00 0.00 58.31 53.88 3ek7 n LYS 71 Cb 0.27 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3ek7 n LYS 71 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ek7 n ASN 72 N 1.28 -3.67 0.00 4.39 5.15 -0.53 -4.67 115.26 117.22 3ek7 n ASN 72 Ca 0.20 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.34 3ek7 n ASN 72 Cb 0.53 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 36.13 3ek7 n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ek7 n GLY 73 N -1.65 3.79 3.24 8.20 0.00 -0.51 -4.35 105.19 113.91 3ek7 n GLY 73 Ca -0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 3ek7 n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ek7 s ILE 74 N -0.39 0.83 0.18 -0.61 -4.36 -0.65 0.29 121.20 116.48 3ek7 s ILE 74 Ca 0.00 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.47 3ek7 s ILE 74 Cb 0.00 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 3ek7 s ILE 74 CO 0.00 -0.59 -0.16 -1.59 0.24 0.00 0.00 174.94 172.84 3ek7 s LYS 75 N -3.86 1.28 0.09 0.37 -2.85 0.49 -1.23 119.74 114.03 3ek7 s LYS 75 Ca 0.21 -1.48 -0.09 0.00 -1.00 0.00 0.00 55.97 53.60 3ek7 s LYS 75 Cb 0.05 -1.19 0.00 0.00 -2.06 0.00 0.00 37.83 34.64 3ek7 s LYS 75 CO 0.02 0.22 0.21 0.00 0.10 0.00 0.00 175.35 175.90 3ek7 s ALA 76 N -2.52 -0.30 -0.01 0.59 0.00 -0.39 -0.71 121.76 118.41 3ek7 s ALA 76 Ca 0.18 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 3ek7 s ALA 76 Cb -0.03 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3ek7 s ALA 76 CO 0.06 -0.51 0.19 0.54 0.00 0.00 0.00 175.76 176.04 3ek7 s ASN 77 N -2.79 -0.04 -0.10 0.00 2.20 -0.92 -1.11 114.94 112.18 3ek7 s ASN 77 Ca 0.04 -0.10 -0.32 0.00 -0.94 0.00 0.00 52.86 51.54 3ek7 s ASN 77 Cb 0.04 0.25 0.12 0.00 -2.00 0.00 0.00 41.25 39.66 3ek7 s ASN 77 CO -0.10 -0.38 1.11 0.72 -2.94 0.00 0.00 177.10 175.51 3ek7 s PHE 78 N -1.29 -0.18 -0.03 1.54 -0.12 -0.86 -2.37 117.98 114.67 3ek7 s PHE 78 Ca -0.14 0.09 0.07 0.00 -0.05 0.00 0.00 56.93 56.90 3ek7 s PHE 78 Cb -0.07 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 3ek7 s PHE 78 CO 0.02 -0.34 -0.25 0.15 -0.05 0.00 0.00 175.22 174.75 3ek7 s LYS 79 N -2.67 2.11 -0.10 1.99 1.02 -1.26 -0.47 119.74 120.36 3ek7 s LYS 79 Ca 0.09 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 3ek7 s LYS 79 Cb -0.00 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 3ek7 s LYS 79 CO -0.05 0.51 -0.04 0.42 -0.92 0.00 0.00 175.35 175.26 3ek7 s ILE 80 N -0.51 3.91 -0.45 2.17 -1.09 -0.27 -4.48 121.20 120.47 3ek7 s ILE 80 Ca 0.07 -0.39 -0.12 0.00 -2.23 0.00 0.00 60.65 57.99 3ek7 s ILE 80 Cb -0.10 -2.64 0.09 0.00 -1.58 0.00 0.00 42.46 38.22 3ek7 s ILE 80 CO -0.00 0.57 0.33 -0.13 -1.23 0.00 0.00 174.94 174.48 3ek7 s ARG 81 N -0.44 2.74 -0.25 2.79 0.52 -1.26 -0.97 118.95 122.08 3ek7 s ARG 81 Ca 0.07 -1.49 -0.19 0.00 -0.52 0.00 0.00 55.73 53.60 3ek7 s ARG 81 Cb -0.12 -3.96 -0.02 0.00 0.52 0.00 0.00 34.95 31.37 3ek7 s ARG 81 CO 0.02 -1.04 0.57 -1.01 0.02 0.00 0.00 175.30 173.86 3ek7 s HIS 82 N 1.50 3.29 0.22 -0.53 3.76 -0.13 -4.90 115.29 118.51 3ek7 s HIS 82 Ca 0.04 0.74 -0.31 0.00 -0.15 0.00 0.00 55.06 55.38 3ek7 s HIS 82 Cb -0.24 -2.76 -0.11 0.00 1.11 0.00 0.00 32.58 30.57 3ek7 s HIS 82 CO 0.03 -0.27 1.57 -0.80 -0.85 0.00 0.00 174.74 174.42 3ek7 s ASN 83 N 1.44 6.52 -0.06 1.40 0.01 -1.26 0.01 114.94 123.00 3ek7 s ASN 83 Ca 0.24 2.75 -0.17 0.00 -0.71 0.00 0.00 52.86 54.97 3ek7 s ASN 83 Cb -0.16 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.84 3ek7 s ASN 83 CO 0.09 -0.84 0.44 -0.63 -1.51 0.00 0.00 177.10 174.65 3ek7 s ILE 84 N 0.61 5.11 0.04 0.60 1.01 -0.26 -0.61 121.20 127.70 3ek7 s ILE 84 Ca 0.67 0.89 -0.35 0.00 0.00 0.00 0.00 60.65 61.86 3ek7 s ILE 84 Cb -0.45 -3.77 -0.14 0.00 0.01 0.00 0.00 42.46 38.11 3ek7 s ILE 84 CO 0.38 0.44 1.63 -0.62 0.00 0.00 0.00 174.94 176.77 3ek7 n GLU 85 N 2.82 1.88 -2.23 2.79 -0.58 0.19 -0.76 120.64 124.75 3ek7 n GLU 85 Ca -0.10 0.68 -0.16 0.00 -0.42 0.00 0.00 57.16 57.16 3ek7 n GLU 85 Cb 0.52 -2.44 -0.01 0.00 -0.57 0.00 0.00 31.44 28.94 3ek7 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3ek7 n ASP 86 N 4.25 -4.84 0.00 1.62 8.00 -1.26 -4.88 116.55 119.43 3ek7 n ASP 86 Ca 0.20 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3ek7 n ASP 86 Cb 0.26 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 3ek7 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ek7 n GLY 87 N -1.01 2.94 0.00 0.44 0.00 0.06 -5.16 105.19 102.46 3ek7 n GLY 87 Ca -0.19 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3ek7 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek7 n GLY 88 N 0.83 2.53 3.27 -0.02 0.00 -1.26 -4.62 105.19 105.92 3ek7 n GLY 88 Ca 0.00 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 3ek7 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek7 s VAL 89 N -2.46 1.80 -0.33 1.61 1.01 -1.26 -1.10 120.40 119.65 3ek7 s VAL 89 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 3ek7 s VAL 89 Cb 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3ek7 s VAL 89 CO 0.00 0.28 0.13 -1.58 0.00 0.00 0.00 175.10 173.93 3ek7 s GLN 90 N -1.13 2.89 0.31 2.72 2.00 0.10 -4.89 119.66 121.66 3ek7 s GLN 90 Ca 0.09 -1.01 -0.25 0.00 -2.00 0.00 0.00 55.36 52.19 3ek7 s GLN 90 Cb -0.09 -3.53 -0.10 0.00 0.80 0.00 0.00 33.01 30.10 3ek7 s GLN 90 CO 0.02 -0.59 0.91 -0.51 -0.50 0.00 0.00 175.29 174.62 3ek7 s LEU 91 N 1.50 4.32 -0.27 3.68 1.43 -1.26 -0.95 118.68 127.13 3ek7 s LEU 91 Ca 0.01 1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 54.86 3ek7 s LEU 91 Cb -0.18 -3.97 0.08 0.00 0.03 0.00 0.00 46.19 42.15 3ek7 s LEU 91 CO 0.04 -0.06 0.05 0.00 0.23 0.00 0.00 176.35 176.61 3ek7 s ALA 92 N -1.63 1.52 -0.29 4.21 0.00 -0.15 -1.85 121.76 123.57 3ek7 s ALA 92 Ca 0.50 -1.39 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 3ek7 s ALA 92 Cb -0.18 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3ek7 s ALA 92 CO 0.23 -1.46 0.89 0.71 0.00 0.00 0.00 175.76 176.13 3ek7 s TYR 93 N 1.62 3.22 -0.17 0.00 1.51 0.74 -1.11 117.35 123.15 3ek7 s TYR 93 Ca 0.04 1.02 -0.08 0.00 -1.01 0.00 0.00 57.07 57.05 3ek7 s TYR 93 Cb -0.18 -3.32 -0.04 0.00 -0.11 0.00 0.00 41.96 38.32 3ek7 s TYR 93 CO -0.17 -0.58 0.10 -1.01 -1.11 0.00 0.00 175.55 172.78 3ek7 s HIS 94 N 3.14 3.38 -0.11 2.71 3.76 0.38 -0.64 115.29 127.91 3ek7 s HIS 94 Ca 0.37 0.28 0.02 0.00 -0.15 0.00 0.00 55.06 55.58 3ek7 s HIS 94 Cb -0.14 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.51 3ek7 s HIS 94 CO 0.12 0.36 -0.15 0.71 -0.85 0.00 0.00 174.74 174.92 3ek7 s TYR 95 N -0.03 1.94 -0.02 1.40 2.02 -0.58 -2.04 117.35 120.04 3ek7 s TYR 95 Ca 0.08 -0.90 0.03 0.00 -0.37 0.00 0.00 57.07 55.91 3ek7 s TYR 95 Cb -0.12 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 3ek7 s TYR 95 CO 0.00 -0.47 -0.12 -1.14 -1.57 0.00 0.00 175.55 172.26 3ek7 s GLN 96 N 0.97 1.04 0.00 -0.62 0.74 -0.27 -1.30 119.66 120.22 3ek7 s GLN 96 Ca -0.07 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 54.95 3ek7 s GLN 96 Cb -0.15 -0.98 -0.01 0.00 1.10 0.00 0.00 33.01 32.97 3ek7 s GLN 96 CO -0.01 0.22 -0.06 1.14 -0.55 0.00 0.00 175.29 176.02 3ek7 s GLN 97 N -0.13 0.50 -0.03 1.67 -2.07 0.46 -1.27 119.66 118.80 3ek7 s GLN 97 Ca 0.02 -0.30 0.04 0.00 -1.82 0.00 0.00 55.36 53.30 3ek7 s GLN 97 Cb -0.06 -0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 31.40 3ek7 s GLN 97 CO 0.00 0.12 -0.15 -0.80 -1.32 0.00 0.00 175.29 173.14 3ek7 s ASN 98 N -0.37 1.84 0.01 12.60 -0.87 -0.36 -0.57 114.94 127.21 3ek7 s ASN 98 Ca 0.01 -0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 3ek7 s ASN 98 Cb -0.04 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.25 40.81 3ek7 s ASN 98 CO -0.00 0.15 -0.01 0.42 -2.57 0.00 0.00 177.10 175.09 3ek7 s THR 99 N -0.11 0.07 0.47 1.60 -4.23 -0.39 -1.64 115.64 111.41 3ek7 s THR 99 Ca 0.01 -0.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.94 3ek7 s THR 99 Cb -0.09 -0.12 -0.07 0.00 1.34 0.00 0.00 72.50 73.56 3ek7 s THR 99 CO 0.01 -0.17 1.24 -2.84 -0.54 0.00 0.00 174.62 172.32 3ek7 s PRO 100 N -0.54 3.65 0.02 3.99 0.02 -1.26 -0.19 135.00 140.69 3ek7 s PRO 100 Ca -0.06 1.97 -0.15 0.00 0.02 0.00 0.00 61.00 62.78 3ek7 s PRO 100 Cb -0.04 -2.45 -0.36 0.00 0.02 0.00 0.00 34.50 31.68 3ek7 s PRO 100 CO -0.00 -0.70 0.97 0.82 -0.33 0.00 0.00 177.00 177.76 3ek7 h ILE 101 N 1.90 1.25 -2.49 2.83 2.04 -1.36 -3.44 117.51 118.24 3ek7 h ILE 101 Ca -0.50 -2.69 -0.46 0.00 1.00 0.00 0.00 64.86 62.22 3ek7 h ILE 101 Cb 1.26 3.02 0.08 0.00 -0.74 0.00 0.00 36.82 40.45 3ek7 h ILE 101 CO 0.60 0.81 0.12 -0.83 0.00 0.00 0.00 178.15 178.85 3ek7 s GLY 102 N -4.65 1.77 0.05 5.37 0.00 -1.26 -5.03 107.32 103.57 3ek7 s GLY 102 Ca -0.10 -1.56 0.22 0.00 0.00 0.00 0.00 44.72 43.29 3ek7 s GLY 102 CO 0.94 -1.03 0.77 1.22 0.00 0.00 0.00 173.10 175.00 3ek7 n ASP 103 N -2.84 0.42 -4.60 1.64 10.43 -1.26 -4.99 116.55 115.35 3ek7 n ASP 103 Ca 0.13 -0.05 -0.32 0.00 2.57 0.00 0.00 54.79 57.12 3ek7 n ASP 103 Cb 0.60 1.27 0.14 0.00 1.84 0.00 0.00 41.12 44.98 3ek7 n ASP 103 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ek7 n GLY 104 N 1.28 -0.79 3.78 0.44 0.00 -1.26 -4.94 105.19 103.71 3ek7 n GLY 104 Ca -0.01 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 3ek7 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek7 s PRO 105 N -4.19 3.72 0.29 1.61 0.04 -1.26 -5.05 135.00 130.15 3ek7 s PRO 105 Ca 0.65 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.39 3ek7 s PRO 105 Cb -0.24 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 3ek7 s PRO 105 CO 0.59 -0.55 -0.05 0.14 0.04 0.00 0.00 177.00 177.17 3ek7 s VAL 106 N -1.68 1.61 -0.12 -0.36 -7.23 -1.26 -4.86 120.40 106.49 3ek7 s VAL 106 Ca 0.66 -2.11 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 3ek7 s VAL 106 Cb -0.25 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 3ek7 s VAL 106 CO 0.29 -0.27 0.57 -0.76 -0.31 0.00 0.00 175.10 174.62 3ek7 s LEU 107 N -3.45 4.26 -0.24 1.32 1.43 -1.26 -5.06 118.68 115.68 3ek7 s LEU 107 Ca 0.30 0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 54.28 3ek7 s LEU 107 Cb 0.04 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 3ek7 s LEU 107 CO 0.12 -0.08 -0.00 -0.76 0.23 0.00 0.00 176.35 175.86 3ek7 s LEU 108 N 0.91 3.14 0.51 1.79 1.43 -1.26 -3.93 118.68 121.27 3ek7 s LEU 108 Ca 0.30 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3ek7 s LEU 108 Cb -0.16 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3ek7 s LEU 108 CO 0.13 -0.05 0.87 -2.16 0.23 0.00 0.00 176.35 175.37 3ek7 s PRO 109 N 1.51 3.63 0.80 1.29 0.04 -1.26 -4.92 135.00 136.09 3ek7 s PRO 109 Ca 0.05 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.45 3ek7 s PRO 109 Cb -0.15 -2.27 0.07 0.00 0.04 0.00 0.00 34.50 32.19 3ek7 s PRO 109 CO -0.01 -0.29 1.09 -0.51 0.04 0.00 0.00 177.00 177.32 3ek7 s ASP 110 N -3.89 4.27 0.19 6.66 1.01 -1.26 -3.72 116.67 119.93 3ek7 s ASP 110 Ca 0.51 1.67 -0.33 0.00 0.71 0.00 0.00 52.55 55.11 3ek7 s ASP 110 Cb -0.10 -2.38 -0.13 0.00 1.01 0.00 0.00 42.92 41.31 3ek7 s ASP 110 CO 0.44 -2.16 1.65 0.59 0.21 0.00 0.00 175.17 175.91 3ek7 n ASN 111 N -3.59 3.57 -1.82 0.27 4.13 -1.26 -4.81 115.26 111.75 3ek7 n ASN 111 Ca 0.08 1.07 -0.05 0.00 1.68 0.00 0.00 54.58 57.36 3ek7 n ASN 111 Cb 0.54 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 3ek7 n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ek7 n HIS 112 N 3.69 -1.25 -4.10 3.10 1.44 -0.89 -4.72 115.22 112.48 3ek7 n HIS 112 Ca 0.16 -0.91 -0.09 0.00 -2.01 0.00 0.00 57.72 54.88 3ek7 n HIS 112 Cb 0.32 0.32 -0.10 0.00 0.12 0.00 0.00 29.99 30.66 3ek7 n HIS 112 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3ek7 s TYR 113 N -5.13 0.69 -0.11 -1.40 -0.85 -0.69 -1.21 117.35 108.64 3ek7 s TYR 113 Ca 0.10 -1.12 -0.01 0.00 -0.52 0.00 0.00 57.07 55.51 3ek7 s TYR 113 Cb -0.01 -0.41 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 3ek7 s TYR 113 CO 0.07 -0.49 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.04 3ek7 s LEU 114 N -2.99 3.17 -0.16 -3.49 1.43 -0.25 -0.90 118.68 115.50 3ek7 s LEU 114 Ca 0.17 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3ek7 s LEU 114 Cb 0.07 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3ek7 s LEU 114 CO -0.03 0.26 -0.09 -0.55 0.23 0.00 0.00 176.35 176.17 3ek7 s SER 115 N -0.19 4.22 0.04 2.29 0.15 -0.12 -1.63 113.70 118.46 3ek7 s SER 115 Ca 0.03 -0.31 0.09 0.00 0.70 0.00 0.00 55.95 56.46 3ek7 s SER 115 Cb -0.13 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 3ek7 s SER 115 CO 0.03 0.12 -0.26 -0.89 1.20 0.00 0.00 173.24 173.44 3ek7 s THR 116 N 0.62 2.10 -0.09 6.45 2.01 -1.26 -1.24 115.64 124.23 3ek7 s THR 116 Ca -0.06 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 60.60 3ek7 s THR 116 Cb -0.15 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.59 3ek7 s THR 116 CO 0.03 0.38 -0.07 0.00 -0.69 0.00 0.00 174.62 174.26 3ek7 s GLN 117 N -1.17 1.34 -0.01 4.92 -2.07 -0.17 -4.99 119.66 117.51 3ek7 s GLN 117 Ca 0.11 -0.22 0.07 0.00 -1.82 0.00 0.00 55.36 53.50 3ek7 s GLN 117 Cb -0.10 -1.35 -0.02 0.00 -1.09 0.00 0.00 33.01 30.45 3ek7 s GLN 117 CO 0.02 -0.17 -0.21 -1.12 -1.32 0.00 0.00 175.29 172.48 3ek7 s SER 118 N 1.38 3.48 -0.11 12.60 0.01 -1.26 -1.25 113.70 128.54 3ek7 s SER 118 Ca -0.02 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3ek7 s SER 118 Cb -0.14 -0.53 0.02 0.00 0.21 0.00 0.00 66.02 65.59 3ek7 s SER 118 CO -0.04 0.31 -0.11 -0.75 0.41 0.00 0.00 173.24 173.06 3ek7 s LYS 119 N -0.87 1.87 -0.09 12.44 2.36 0.12 -5.00 119.74 130.58 3ek7 s LYS 119 Ca 0.11 -0.41 -0.05 0.00 -2.55 0.00 0.00 55.97 53.08 3ek7 s LYS 119 Cb -0.10 -1.75 -0.04 0.00 -1.05 0.00 0.00 37.83 34.89 3ek7 s LYS 119 CO 0.01 -0.18 0.11 -0.51 1.55 0.00 0.00 175.35 176.33 3ek7 s LEU 120 N 1.37 4.16 0.28 5.43 1.02 -1.26 -1.46 118.68 128.21 3ek7 s LEU 120 Ca -0.00 0.36 -0.12 0.00 0.02 0.00 0.00 54.13 54.39 3ek7 s LEU 120 Cb -0.14 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 44.01 3ek7 s LEU 120 CO -0.06 0.38 0.52 -0.94 0.02 0.00 0.00 176.35 176.27 3ek7 s SER 121 N -1.12 0.06 0.15 2.29 1.04 0.28 -4.77 113.70 111.63 3ek7 s SER 121 Ca 0.16 -1.01 0.09 0.00 0.48 0.00 0.00 55.95 55.67 3ek7 s SER 121 Cb -0.12 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3ek7 s SER 121 CO 0.06 -1.22 -0.14 -0.54 0.98 0.00 0.00 173.24 172.37 3ek7 s LYS 122 N -3.73 1.92 -0.28 4.02 -0.14 -1.26 -1.03 119.74 119.24 3ek7 s LYS 122 Ca 0.22 -1.24 -0.17 0.00 -1.36 0.00 0.00 55.97 53.42 3ek7 s LYS 122 Cb -0.01 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.99 3ek7 s LYS 122 CO 0.11 0.45 0.49 0.34 -0.76 0.00 0.00 175.35 175.98 3ek7 s ASP 123 N -2.52 6.38 0.46 2.83 -1.08 -1.26 -4.96 116.67 116.52 3ek7 s ASP 123 Ca 0.22 0.39 0.22 0.00 -0.52 0.00 0.00 52.55 52.86 3ek7 s ASP 123 Cb -0.10 -2.27 1.09 0.00 -1.46 0.00 0.00 42.92 40.19 3ek7 s ASP 123 CO 0.13 -0.30 1.93 1.55 0.52 0.00 0.00 175.17 179.00 3ek7 h PRO 124 N 8.12 0.00 -0.77 4.34 0.13 -2.04 -2.51 132.00 139.27 3ek7 h PRO 124 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 3ek7 h PRO 124 Cb 1.14 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 3ek7 h PRO 124 CO 0.71 0.22 0.16 0.09 -0.23 0.00 0.00 178.00 178.95 3ek7 n ASN 125 N -3.69 4.38 -4.33 1.44 3.02 -1.26 -4.88 115.26 109.94 3ek7 n ASN 125 Ca -0.01 -2.89 -0.35 0.00 -0.03 0.00 0.00 54.58 51.30 3ek7 n ASN 125 Cb 0.34 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 38.69 3ek7 n ASN 125 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ek7 s GLU 126 N -2.44 3.39 0.10 3.52 2.56 -0.95 -4.99 118.70 119.90 3ek7 s GLU 126 Ca 0.43 -0.63 0.21 0.00 0.00 0.00 0.00 54.97 54.98 3ek7 s GLU 126 Cb 0.34 -2.93 -0.12 0.00 2.00 0.00 0.00 34.13 33.42 3ek7 s GLU 126 CO 0.11 -0.10 0.81 1.17 -0.56 0.00 0.00 175.26 176.70 3ek7 n LYS 127 N 4.49 0.63 -2.14 4.30 3.00 -1.26 -4.91 118.16 122.26 3ek7 n LYS 127 Ca -0.18 0.06 -0.33 0.00 -0.00 0.00 0.00 58.31 57.86 3ek7 n LYS 127 Cb 0.51 -1.73 -0.00 0.00 0.00 0.00 0.00 35.03 33.81 3ek7 n LYS 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3ek7 s ARG 128 N -3.27 3.49 0.06 1.64 0.52 -1.26 -4.98 118.95 115.15 3ek7 s ARG 128 Ca -0.03 1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 56.01 3ek7 s ARG 128 Cb 0.10 -2.06 -0.07 0.00 0.52 0.00 0.00 34.95 33.44 3ek7 s ARG 128 CO 0.83 -0.67 1.50 0.34 0.02 0.00 0.00 175.30 177.32 3ek7 s ASP 129 N -2.86 6.73 0.22 0.23 -1.08 -1.26 -4.94 116.67 113.71 3ek7 s ASP 129 Ca 0.62 2.34 -0.17 0.00 -0.52 0.00 0.00 52.55 54.82 3ek7 s ASP 129 Cb -0.14 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.77 3ek7 s ASP 129 CO 0.35 -0.77 0.54 -1.38 0.52 0.00 0.00 175.17 174.44 3ek7 s HIS 130 N 2.08 -0.04 -0.09 -5.34 -3.43 -1.26 -0.79 115.29 106.43 3ek7 s HIS 130 Ca 0.68 -0.33 -0.04 0.00 -0.80 0.00 0.00 55.06 54.57 3ek7 s HIS 130 Cb -0.37 0.40 0.05 0.00 -1.43 0.00 0.00 32.58 31.23 3ek7 s HIS 130 CO 0.30 -0.98 0.18 1.41 -2.00 0.00 0.00 174.74 173.65 3ek7 s MET 131 N -3.91 0.10 -0.14 -0.38 1.75 0.25 -4.96 119.30 112.00 3ek7 s MET 131 Ca 0.12 0.51 -0.07 0.00 -1.25 0.00 0.00 55.69 55.00 3ek7 s MET 131 Cb -0.02 -0.18 -0.04 0.00 2.84 0.00 0.00 34.83 37.43 3ek7 s MET 131 CO 0.01 -0.23 0.12 0.08 -0.65 0.00 0.00 175.02 174.35 3ek7 s VAL 132 N 1.74 5.37 -0.02 10.11 1.01 -0.20 -0.09 120.40 138.32 3ek7 s VAL 132 Ca -0.04 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3ek7 s VAL 132 Cb -0.12 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3ek7 s VAL 132 CO -0.07 0.57 -0.05 -0.22 0.00 0.00 0.00 175.10 175.34 3ek7 s LEU 133 N -0.64 1.67 -0.06 3.92 2.96 0.50 -0.56 118.68 126.47 3ek7 s LEU 133 Ca 0.13 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3ek7 s LEU 133 Cb -0.12 -0.33 0.02 0.00 0.50 0.00 0.00 46.19 46.25 3ek7 s LEU 133 CO 0.02 0.01 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.73 3ek7 s LEU 134 N 0.36 1.57 0.00 -0.68 2.96 -0.53 -1.53 118.68 120.84 3ek7 s LEU 134 Ca -0.04 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3ek7 s LEU 134 Cb -0.08 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 3ek7 s LEU 134 CO -0.00 0.01 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.33 3ek7 s GLU 135 N 0.76 0.07 -0.08 1.98 2.12 -0.54 0.16 118.70 123.17 3ek7 s GLU 135 Ca -0.13 -0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.13 3ek7 s GLU 135 Cb -0.15 -0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.23 3ek7 s GLU 135 CO 0.03 0.00 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.51 3ek7 s PHE 136 N -0.21 2.00 -0.05 5.30 0.40 -0.38 -1.04 117.98 123.99 3ek7 s PHE 136 Ca -0.02 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.55 3ek7 s PHE 136 Cb -0.02 -1.38 0.01 0.00 0.51 0.00 0.00 43.02 42.14 3ek7 s PHE 136 CO -0.00 -0.35 -0.11 0.08 0.70 0.00 0.00 175.22 175.54 3ek7 s VAL 137 N 0.50 1.02 0.02 -0.44 1.01 0.78 -1.00 120.40 122.30 3ek7 s VAL 137 Ca -0.17 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3ek7 s VAL 137 Cb -0.17 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3ek7 s VAL 137 CO 0.06 0.32 -0.09 0.42 0.00 0.00 0.00 175.10 175.82 3ek7 s THR 138 N 0.50 0.67 0.20 3.92 -4.23 -0.37 -1.04 115.64 115.29 3ek7 s THR 138 Ca -0.10 -0.75 -0.09 0.00 -1.18 0.00 0.00 61.69 59.57 3ek7 s THR 138 Cb -0.13 -0.64 -0.07 0.00 1.34 0.00 0.00 72.50 73.00 3ek7 s THR 138 CO 0.02 -0.08 0.50 0.00 -0.54 0.00 0.00 174.62 174.52 3ek7 s ALA 139 N -0.77 3.62 0.15 3.99 0.00 0.01 -0.95 121.76 127.81 3ek7 s ALA 139 Ca -0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 3ek7 s ALA 139 Cb -0.07 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.72 3ek7 s ALA 139 CO 0.00 0.55 0.35 0.00 0.00 0.00 0.00 175.76 176.66 3ek7 n ALA 140 N -0.02 -0.82 -0.30 0.00 0.00 -0.07 -4.55 120.51 114.75 3ek7 n ALA 140 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3ek7 n ALA 140 Cb 0.52 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.35 3ek7 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek7 n GLY 141 N -0.24 0.66 3.08 0.00 0.00 -1.26 -1.71 105.19 105.73 3ek7 n GLY 141 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3ek7 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek7 s ILE 142 N -2.57 1.68 0.28 -0.61 1.01 -1.26 -4.80 121.20 114.93 3ek7 s ILE 142 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 3ek7 s ILE 142 Cb 0.00 -1.53 -0.09 0.00 0.01 0.00 0.00 42.46 40.84 3ek7 s ILE 142 CO 0.00 0.48 1.11 0.28 0.00 0.00 0.00 174.94 176.81 3ek7 s THR 143 N 1.06 3.46 0.00 2.92 -1.32 -1.26 -4.99 115.64 115.50 3ek7 s THR 143 Ca -0.04 1.45 0.00 0.00 -1.21 0.00 0.00 61.69 61.89 3ek7 s THR 143 Cb -0.15 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 3ek7 s THR 143 CO -0.04 0.34 0.00 0.18 -2.21 0.00 0.00 174.62 172.89 3ek7 n LEU 144 N 1.26 0.00 0.00 9.08 4.32 -1.26 -5.09 117.00 125.31 3ek7 n LEU 144 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 3ek7 n LEU 144 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 3ek7 n LEU 144 CO 0.54 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 175.17 3ek7 n SER 160 N 0.00 0.00 -0.05 -1.43 3.41 -1.26 -4.76 113.62 109.53 3ek7 n SER 160 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 3ek7 n SER 160 Cb 0.00 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.27 3ek7 n SER 160 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ek7 h LYS 161 N 0.00 0.65 -0.28 4.33 1.57 -1.91 -2.60 116.57 118.32 3ek7 h LYS 161 Ca 0.00 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ek7 h LYS 161 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3ek7 h LYS 161 CO 0.00 0.52 0.19 0.78 -0.57 0.00 0.00 179.45 180.37 3ek7 h GLY 162 N 0.78 0.35 2.00 3.86 0.00 -1.70 -2.34 103.07 106.01 3ek7 h GLY 162 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3ek7 h GLY 162 CO -0.02 0.12 -0.09 -2.09 0.00 0.00 0.00 176.54 174.46 3ek7 h GLU 163 N 0.33 0.00 0.00 4.80 4.81 -1.60 -2.34 114.58 120.57 3ek7 h GLU 163 Ca 0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3ek7 h GLU 163 Cb 0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ek7 h GLU 163 CO -0.02 0.09 -0.16 0.93 -0.73 0.00 0.00 179.01 179.12 3ek7 h GLU 164 N 0.00 0.00 0.00 1.92 5.08 -1.55 -1.73 114.58 118.30 3ek7 h GLU 164 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ek7 h GLU 164 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3ek7 h GLU 164 CO 0.01 0.16 0.00 1.28 -1.00 0.00 0.00 179.01 179.46 3ek7 n LEU 165 N -3.98 0.64 -0.42 1.33 4.77 -0.88 -3.37 117.00 115.08 3ek7 n LEU 165 Ca -0.02 0.67 0.07 0.00 -0.03 0.00 0.00 56.01 56.71 3ek7 n LEU 165 Cb 0.25 -0.61 0.16 0.00 -2.33 0.00 0.00 43.42 40.89 3ek7 n LEU 165 CO 0.33 -0.60 0.62 0.49 -1.33 0.00 0.00 177.39 176.89 3ek7 n PHE 166 N -2.22 0.39 0.20 -1.77 3.01 -0.65 -4.72 117.46 111.70 3ek7 n PHE 166 Ca 0.02 -0.82 0.04 0.00 1.01 0.00 0.00 57.45 57.70 3ek7 n PHE 166 Cb 0.20 -0.18 0.41 0.00 -0.01 0.00 0.00 39.48 39.91 3ek7 n PHE 166 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3ek7 h THR 167 N 0.90 1.20 -2.65 4.37 1.35 -1.63 -3.38 112.91 113.07 3ek7 h THR 167 Ca 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3ek7 h THR 167 Cb 1.05 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3ek7 h THR 167 CO 0.08 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 3ek7 n GLY 168 N -0.64 6.64 3.73 5.82 0.00 -1.26 -4.77 105.19 114.71 3ek7 n GLY 168 Ca -0.02 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3ek7 n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek7 s VAL 169 N 1.31 4.60 -0.10 1.61 1.01 -1.26 -4.46 120.40 123.11 3ek7 s VAL 169 Ca 0.00 1.99 0.03 0.00 0.00 0.00 0.00 61.98 63.99 3ek7 s VAL 169 Cb 0.00 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.11 3ek7 s VAL 169 CO 0.00 0.30 -0.17 -0.69 0.00 0.00 0.00 175.10 174.54 3ek7 s VAL 170 N 0.15 1.58 0.45 2.92 1.01 0.17 -4.94 120.40 121.73 3ek7 s VAL 170 Ca 0.46 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 3ek7 s VAL 170 Cb -0.22 -1.41 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 3ek7 s VAL 170 CO 0.28 0.45 1.20 -2.16 0.00 0.00 0.00 175.10 174.88 3ek7 s PRO 171 N 0.71 3.79 -0.03 2.72 0.04 -1.26 -0.09 135.00 140.88 3ek7 s PRO 171 Ca -0.12 1.89 0.05 0.00 0.04 0.00 0.00 61.00 62.85 3ek7 s PRO 171 Cb -0.16 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 3ek7 s PRO 171 CO 0.03 -0.55 -0.17 0.42 0.04 0.00 0.00 177.00 176.76 3ek7 s ILE 172 N -1.45 1.41 -0.02 0.56 1.01 -0.35 -0.42 121.20 121.94 3ek7 s ILE 172 Ca 0.62 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.61 3ek7 s ILE 172 Cb -0.31 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3ek7 s ILE 172 CO 0.39 0.41 -0.23 -0.22 0.00 0.00 0.00 174.94 175.28 3ek7 s LEU 173 N -0.14 2.04 -0.05 2.97 2.96 -0.36 -2.17 118.68 123.93 3ek7 s LEU 173 Ca 0.00 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3ek7 s LEU 173 Cb -0.10 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.41 3ek7 s LEU 173 CO 0.01 0.27 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.47 3ek7 s VAL 174 N -0.45 1.26 -0.06 1.68 1.01 -0.16 -1.16 120.40 122.52 3ek7 s VAL 174 Ca 0.06 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3ek7 s VAL 174 Cb -0.10 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.20 3ek7 s VAL 174 CO -0.00 0.37 -0.07 -1.61 0.00 0.00 0.00 175.10 173.79 3ek7 s GLU 175 N 0.21 1.20 -0.08 2.72 2.02 0.27 -0.70 118.70 124.35 3ek7 s GLU 175 Ca -0.07 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.73 3ek7 s GLU 175 Cb -0.12 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 32.98 3ek7 s GLU 175 CO 0.02 -0.09 -0.12 -1.17 0.02 0.00 0.00 175.26 173.92 3ek7 s LEU 176 N 1.03 1.61 -0.19 1.80 0.20 0.00 0.73 118.68 123.86 3ek7 s LEU 176 Ca -0.09 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 54.39 3ek7 s LEU 176 Cb -0.14 -0.88 -0.01 0.00 -0.43 0.00 0.00 46.19 44.73 3ek7 s LEU 176 CO -0.00 0.02 -0.09 -1.81 -0.29 0.00 0.00 176.35 174.18 3ek7 s ASP 177 N 0.82 4.07 0.17 3.68 -0.00 -0.47 -1.32 116.67 123.61 3ek7 s ASP 177 Ca -0.11 -0.41 0.08 0.00 -0.00 0.00 0.00 52.55 52.11 3ek7 s ASP 177 Cb -0.15 -1.67 -0.04 0.00 -0.00 0.00 0.00 42.92 41.05 3ek7 s ASP 177 CO 0.02 0.03 -0.18 -0.83 -0.00 0.00 0.00 175.17 174.21 3ek7 s GLY 178 N 1.18 1.39 -0.22 0.21 0.00 0.16 -1.18 107.32 108.87 3ek7 s GLY 178 Ca 0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 3ek7 s GLY 178 CO -0.03 -1.55 0.20 -0.35 0.00 0.00 0.00 173.10 171.37 3ek7 s ASP 179 N -2.70 1.79 -0.22 1.64 -1.08 -0.53 -0.04 116.67 115.52 3ek7 s ASP 179 Ca 0.16 -0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 51.72 3ek7 s ASP 179 Cb -0.05 0.21 0.02 0.00 -1.46 0.00 0.00 42.92 41.64 3ek7 s ASP 179 CO 0.07 -0.35 -0.10 -0.69 0.52 0.00 0.00 175.17 174.62 3ek7 s VAL 180 N 2.27 2.76 -1.22 1.11 1.01 -0.13 0.46 120.40 126.67 3ek7 s VAL 180 Ca 0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3ek7 s VAL 180 Cb -0.16 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 33.99 3ek7 s VAL 180 CO -0.16 0.35 0.43 0.59 0.00 0.00 0.00 175.10 176.30 3ek7 n ASN 181 N 4.68 -3.37 0.00 3.32 4.13 -0.38 -0.36 115.26 123.28 3ek7 n ASN 181 Ca -0.18 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.72 3ek7 n ASN 181 Cb 0.49 -2.81 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 3ek7 n ASN 181 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ek7 n GLY 182 N -1.09 1.00 3.60 7.41 0.00 -1.26 -5.00 105.19 109.84 3ek7 n GLY 182 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3ek7 n GLY 182 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ek7 s HIS 183 N -3.45 3.01 0.16 1.61 3.76 0.51 -5.03 115.29 115.87 3ek7 s HIS 183 Ca 0.00 0.75 -0.24 0.00 -0.15 0.00 0.00 55.06 55.42 3ek7 s HIS 183 Cb 0.00 -3.87 -0.08 0.00 1.11 0.00 0.00 32.58 29.74 3ek7 s HIS 183 CO 0.00 -0.96 0.75 0.15 -0.85 0.00 0.00 174.74 173.83 3ek7 s LYS 184 N 3.75 4.48 0.16 1.40 -0.14 -1.26 -0.95 119.74 127.17 3ek7 s LYS 184 Ca 0.41 1.07 -0.17 0.00 -1.36 0.00 0.00 55.97 55.92 3ek7 s LYS 184 Cb -0.11 -3.20 0.03 0.00 -1.68 0.00 0.00 37.83 32.88 3ek7 s LYS 184 CO 0.22 0.55 0.46 -0.59 -0.76 0.00 0.00 175.35 175.24 3ek7 s PHE 185 N -1.20 -0.17 0.02 3.18 -0.71 0.94 -4.95 117.98 115.08 3ek7 s PHE 185 Ca 0.36 -0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.13 3ek7 s PHE 185 Cb -0.22 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 3ek7 s PHE 185 CO 0.25 -0.80 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.13 3ek7 s SER 186 N -2.83 0.89 -0.02 1.98 0.01 -1.26 0.37 113.70 112.84 3ek7 s SER 186 Ca 0.06 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.00 3ek7 s SER 186 Cb 0.01 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 3ek7 s SER 186 CO -0.08 -0.06 -0.10 -0.69 0.41 0.00 0.00 173.24 172.72 3ek7 s VAL 187 N -0.79 0.83 0.07 3.43 1.01 -0.43 -1.41 120.40 123.10 3ek7 s VAL 187 Ca -0.03 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3ek7 s VAL 187 Cb -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3ek7 s VAL 187 CO 0.00 0.24 -0.19 -0.94 0.00 0.00 0.00 175.10 174.22 3ek7 s SER 188 N -0.04 2.31 0.03 3.32 1.04 -0.47 -0.82 113.70 119.08 3ek7 s SER 188 Ca 0.01 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 3ek7 s SER 188 Cb -0.06 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3ek7 s SER 188 CO 0.00 0.08 -0.02 -0.83 0.98 0.00 0.00 173.24 173.45 3ek7 s GLY 189 N -1.52 0.32 0.01 7.32 0.00 0.12 -0.34 107.32 113.24 3ek7 s GLY 189 Ca 0.05 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.87 3ek7 s GLY 189 CO 0.03 -0.90 0.17 -0.54 0.00 0.00 0.00 173.10 171.85 3ek7 s GLU 190 N -2.45 0.56 0.00 2.90 2.02 -0.31 -0.99 118.70 120.43 3ek7 s GLU 190 Ca -0.07 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3ek7 s GLU 190 Cb -0.03 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.44 3ek7 s GLU 190 CO -0.05 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.50 3ek7 n GLY 191 N 1.23 -0.84 3.38 -1.39 0.00 -0.92 -1.24 105.19 105.41 3ek7 n GLY 191 Ca -0.22 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 3ek7 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ek7 s GLU 192 N -0.65 0.72 0.01 1.61 2.02 -0.39 -1.21 118.70 120.80 3ek7 s GLU 192 Ca 0.00 0.36 0.07 0.00 0.02 0.00 0.00 54.97 55.42 3ek7 s GLU 192 Cb 0.00 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.54 3ek7 s GLU 192 CO 0.00 -0.16 -0.22 0.20 0.02 0.00 0.00 175.26 175.10 3ek7 s GLY 193 N -0.50 1.44 -0.37 -1.39 0.00 0.87 -1.41 107.32 105.95 3ek7 s GLY 193 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3ek7 s GLY 193 CO 0.04 -1.00 0.19 -0.35 0.00 0.00 0.00 173.10 171.97 3ek7 s ASP 194 N -1.04 3.58 0.60 1.64 3.68 0.89 0.44 116.67 126.46 3ek7 s ASP 194 Ca 0.12 -2.18 0.38 0.00 2.13 0.00 0.00 52.55 53.00 3ek7 s ASP 194 Cb -0.10 -0.80 1.82 0.00 -1.45 0.00 0.00 42.92 42.39 3ek7 s ASP 194 CO 0.02 -0.33 2.16 0.00 0.13 0.00 0.00 175.17 177.15 3ek7 h ALA 195 N 7.26 1.03 -0.97 3.66 0.00 -1.74 -1.32 119.26 127.18 3ek7 h ALA 195 Ca -0.04 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.04 3ek7 h ALA 195 Cb 0.97 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 3ek7 h ALA 195 CO 0.42 0.02 0.61 1.15 0.00 0.00 0.00 179.25 181.46 3ek7 h THR 196 N 0.00 0.73 -0.20 0.00 2.02 -1.86 -2.43 112.91 111.17 3ek7 h THR 196 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3ek7 h THR 196 Cb 0.28 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3ek7 h THR 196 CO 0.00 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.80 3ek7 n TYR 197 N -4.66 0.25 -2.37 3.16 4.02 -0.85 -4.34 117.16 112.36 3ek7 n TYR 197 Ca 0.21 -0.22 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 3ek7 n TYR 197 Cb 0.59 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.89 3ek7 n TYR 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ek7 n GLY 198 N 0.77 -0.35 3.70 2.72 0.00 -0.91 -4.60 105.19 106.51 3ek7 n GLY 198 Ca 0.11 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3ek7 n GLY 198 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ek7 s LYS 199 N -4.92 3.36 -0.03 1.61 2.20 -0.56 -0.15 119.74 121.26 3ek7 s LYS 199 Ca 0.02 -0.34 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 3ek7 s LYS 199 Cb -0.01 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 3ek7 s LYS 199 CO 0.02 0.59 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.93 3ek7 s LEU 200 N -0.53 1.94 -0.13 5.43 1.43 -0.21 -0.07 118.68 126.54 3ek7 s LEU 200 Ca 0.10 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3ek7 s LEU 200 Cb -0.12 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.28 3ek7 s LEU 200 CO 0.02 0.16 0.03 0.42 0.23 0.00 0.00 176.35 177.21 3ek7 s THR 201 N -0.09 0.35 0.00 5.49 -4.23 -0.50 -1.47 115.64 115.19 3ek7 s THR 201 Ca 0.00 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 3ek7 s THR 201 Cb -0.09 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 73.04 3ek7 s THR 201 CO 0.01 0.02 0.04 -0.76 -0.54 0.00 0.00 174.62 173.38 3ek7 s LEU 202 N 1.96 1.93 -0.06 4.79 1.43 -0.58 -1.26 118.68 126.88 3ek7 s LEU 202 Ca 0.02 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3ek7 s LEU 202 Cb -0.14 0.29 -0.01 0.00 0.03 0.00 0.00 46.19 46.35 3ek7 s LEU 202 CO -0.07 -0.25 -0.24 -0.75 0.23 0.00 0.00 176.35 175.28 3ek7 s LYS 203 N -1.06 2.63 -0.01 1.70 2.20 -0.38 -0.37 119.74 124.46 3ek7 s LYS 203 Ca -0.12 -0.89 0.07 0.00 -0.36 0.00 0.00 55.97 54.68 3ek7 s LYS 203 Cb -0.07 -2.20 -0.02 0.00 -1.51 0.00 0.00 37.83 34.02 3ek7 s LYS 203 CO -0.00 0.36 -0.21 -0.06 -0.36 0.00 0.00 175.35 175.08 3ek7 s PHE 204 N -0.12 2.47 -0.05 4.03 0.40 0.87 -1.17 117.98 124.42 3ek7 s PHE 204 Ca -0.05 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 3ek7 s PHE 204 Cb -0.14 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.87 3ek7 s PHE 204 CO 0.04 0.09 -0.17 0.42 0.70 0.00 0.00 175.22 176.30 3ek7 s ILE 205 N -0.72 1.44 -0.27 0.64 -1.09 0.54 -0.59 121.20 121.15 3ek7 s ILE 205 Ca 0.11 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 3ek7 s ILE 205 Cb -0.10 -1.24 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 3ek7 s ILE 205 CO 0.01 0.42 1.20 0.00 -1.23 0.00 0.00 174.94 175.34 3ek7 n THR 207 N 5.85 0.12 -0.29 0.00 -2.24 -0.50 -3.82 114.28 113.40 3ek7 n THR 207 Ca 0.13 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.65 3ek7 n THR 207 Cb 0.46 0.41 0.08 0.00 -2.10 0.00 0.00 70.33 69.19 3ek7 n THR 207 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ek7 n THR 208 N 0.25 1.24 0.00 4.28 -2.24 -1.25 -4.96 114.28 111.59 3ek7 n THR 208 Ca 0.17 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3ek7 n THR 208 Cb 0.34 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3ek7 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ek7 n GLY 209 N -0.37 0.61 3.71 3.38 0.00 -1.25 -4.97 105.19 106.29 3ek7 n GLY 209 Ca 0.07 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 3ek7 n GLY 209 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ek7 s LYS 210 N 0.00 4.44 0.06 1.61 2.20 -1.26 -4.43 119.74 122.36 3ek7 s LYS 210 Ca 0.00 0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 56.28 3ek7 s LYS 210 Cb 0.00 -3.46 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 3ek7 s LYS 210 CO 0.00 0.00 1.38 -1.17 -0.36 0.00 0.00 175.35 175.20 3ek7 s LEU 211 N 0.99 4.35 0.00 5.43 2.96 -1.26 -4.91 118.68 126.24 3ek7 s LEU 211 Ca 0.40 2.21 0.31 0.00 -0.22 0.00 0.00 54.13 56.83 3ek7 s LEU 211 Cb -0.18 -3.57 1.71 0.00 0.50 0.00 0.00 46.19 44.64 3ek7 s LEU 211 CO 0.19 -0.66 2.14 -0.81 -1.32 0.00 0.00 176.35 175.89 3ek7 n PRO 212 N 4.56 0.71 -4.30 0.98 -0.04 -1.26 -4.82 135.00 130.83 3ek7 n PRO 212 Ca 0.12 -0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 3ek7 n PRO 212 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 3ek7 n PRO 212 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ek7 s VAL 213 N -2.29 1.29 0.29 0.52 -7.23 -1.26 -4.57 120.40 107.15 3ek7 s VAL 213 Ca 0.38 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 3ek7 s VAL 213 Cb 0.21 -2.02 -0.10 0.00 0.56 0.00 0.00 36.38 35.03 3ek7 s VAL 213 CO 0.42 -0.61 1.26 -2.84 -0.31 0.00 0.00 175.10 173.01 3ek7 s PRO 214 N -3.75 4.43 0.25 4.82 0.02 -1.26 -4.94 135.00 134.58 3ek7 s PRO 214 Ca 0.21 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.26 3ek7 s PRO 214 Cb 0.02 -3.13 0.48 0.00 0.02 0.00 0.00 34.50 31.90 3ek7 s PRO 214 CO 0.04 -0.10 1.67 -1.49 -0.33 0.00 0.00 177.00 176.79 3ek7 h TRP 215 N 3.91 0.21 -0.03 6.54 4.06 -1.96 -2.01 115.95 126.66 3ek7 h TRP 215 Ca -0.47 0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.53 3ek7 h TRP 215 Cb 1.22 0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.40 3ek7 h TRP 215 CO 0.58 -0.13 0.04 -1.35 -3.56 0.00 0.00 178.44 174.01 3ek7 h PRO 216 N 0.22 0.00 0.00 0.49 0.11 -1.88 -1.24 132.00 129.70 3ek7 h PRO 216 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3ek7 h PRO 216 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3ek7 h PRO 216 CO -0.56 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.02 3ek7 h THR 217 N 0.00 0.00 -0.01 -1.15 1.35 -1.75 -2.97 112.91 108.38 3ek7 h THR 217 Ca 0.01 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3ek7 h THR 217 Cb 0.09 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3ek7 h THR 217 CO -0.00 0.00 -0.69 0.18 -0.25 0.00 0.00 175.52 174.76 3ek7 n LEU 218 N -2.80 1.52 -0.10 3.87 4.77 -0.47 -4.63 117.00 119.15 3ek7 n LEU 218 Ca 0.01 -0.61 -0.06 0.00 -0.03 0.00 0.00 56.01 55.33 3ek7 n LEU 218 Cb 0.28 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3ek7 n LEU 218 CO 0.25 0.31 0.81 0.58 -1.33 0.00 0.00 177.39 178.01 3ek7 h VAL 219 N 1.30 0.67 -0.03 4.08 2.07 -1.47 -0.04 116.25 122.84 3ek7 h VAL 219 Ca 0.00 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3ek7 h VAL 219 Cb 0.63 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3ek7 h VAL 219 CO 0.00 0.00 -0.41 0.71 0.02 0.00 0.00 177.57 177.89 3ek7 h THR 220 N 0.02 1.30 -0.22 2.57 1.35 -1.82 -2.82 112.91 113.29 3ek7 h THR 220 Ca 0.17 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.53 3ek7 h THR 220 Cb 0.25 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3ek7 h THR 220 CO -0.34 0.42 -0.04 0.74 -0.25 0.00 0.00 175.52 176.05 3ek7 h THR 221 N 0.05 1.28 0.00 6.82 2.02 -1.69 -3.46 112.91 117.92 3ek7 h THR 221 Ca 0.00 -1.00 -0.25 0.00 0.77 0.00 0.00 66.41 65.93 3ek7 h THR 221 Cb 0.75 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3ek7 h THR 221 CO 0.06 0.31 1.33 0.18 0.37 0.00 0.00 175.52 177.76 3ek7 n LEU 222 N -4.62 4.07 0.00 2.58 4.77 -0.09 -5.04 117.00 118.68 3ek7 n LEU 222 Ca -0.04 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3ek7 n LEU 222 Cb 0.27 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3ek7 n LEU 222 CO 0.38 0.73 0.00 1.33 -1.33 0.00 0.00 177.39 178.50 3ek7 n VAL 226 N 3.44 0.00 0.71 4.08 0.24 -1.26 -5.01 118.33 120.53 3ek7 n VAL 226 Ca 0.35 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.74 3ek7 n VAL 226 Cb 0.33 0.00 0.40 0.00 -1.47 0.00 0.00 33.84 33.10 3ek7 n VAL 226 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek7 n GLN 227 N 0.00 0.14 0.28 7.34 6.02 -1.26 -1.72 117.38 128.17 3ek7 n GLN 227 Ca 0.00 0.16 0.15 0.00 -0.01 0.00 0.00 57.00 57.31 3ek7 n GLN 227 Cb 0.00 -1.50 0.82 0.00 1.02 0.00 0.00 30.24 30.58 3ek7 n GLN 227 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ek7 n PHE 229 N -2.70 0.15 -1.84 0.00 3.72 -0.70 -4.70 117.46 111.38 3ek7 n PHE 229 Ca -0.02 -0.07 -0.40 0.00 -0.05 0.00 0.00 57.45 56.91 3ek7 n PHE 229 Cb 0.22 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 3ek7 n PHE 229 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3ek7 s SER 230 N -1.76 6.03 -0.36 4.37 0.01 -0.97 -4.10 113.70 116.93 3ek7 s SER 230 Ca 0.35 2.90 -0.25 0.00 1.31 0.00 0.00 55.95 60.26 3ek7 s SER 230 Cb 0.20 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.78 3ek7 s SER 230 CO 0.30 -1.07 0.85 -0.60 0.41 0.00 0.00 173.24 173.13 3ek7 s ARG 231 N -2.35 3.81 -0.28 12.44 3.52 -0.20 -4.84 118.95 131.05 3ek7 s ARG 231 Ca 0.59 0.47 -0.12 0.00 -0.13 0.00 0.00 55.73 56.54 3ek7 s ARG 231 Cb -0.43 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.11 3ek7 s ARG 231 CO 0.56 -0.88 0.24 0.71 -0.81 0.00 0.00 175.30 175.11 3ek7 s TYR 232 N 3.27 3.23 0.91 5.12 1.51 -1.26 -0.81 117.35 129.32 3ek7 s TYR 232 Ca 0.35 0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 56.49 3ek7 s TYR 232 Cb -0.13 -2.43 0.14 0.00 -0.11 0.00 0.00 41.96 39.44 3ek7 s TYR 232 CO 0.17 -0.18 1.11 -1.25 -1.11 0.00 0.00 175.55 174.29 3ek7 s PRO 233 N 1.84 1.11 0.29 -1.71 0.04 -1.26 -4.72 135.00 130.58 3ek7 s PRO 233 Ca 0.09 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.39 3ek7 s PRO 233 Cb -0.16 -1.76 0.67 0.00 0.04 0.00 0.00 34.50 33.29 3ek7 s PRO 233 CO 0.11 -2.46 1.80 -0.44 0.04 0.00 0.00 177.00 176.04 3ek7 h ASP 234 N -1.73 0.83 0.72 6.66 3.32 -1.99 0.22 116.42 124.45 3ek7 h ASP 234 Ca -0.47 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3ek7 h ASP 234 Cb 1.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ek7 h ASP 234 CO 0.48 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 178.34 3ek7 n HIS 235 N -4.72 0.11 -0.52 4.55 1.44 -1.26 -3.09 115.22 111.74 3ek7 n HIS 235 Ca 0.22 0.04 0.07 0.00 -2.01 0.00 0.00 57.72 56.04 3ek7 n HIS 235 Cb 0.50 -0.56 0.21 0.00 0.12 0.00 0.00 29.99 30.26 3ek7 n HIS 235 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3ek7 n MET 236 N -1.60 2.99 0.15 -1.40 2.81 0.76 -4.74 117.12 116.10 3ek7 n MET 236 Ca 0.05 -2.43 0.05 0.00 -1.81 0.00 0.00 57.70 53.56 3ek7 n MET 236 Cb 0.24 -1.54 0.52 0.00 -0.71 0.00 0.00 33.22 31.72 3ek7 n MET 236 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3ek7 h LYS 237 N 2.19 0.21 0.00 0.03 1.79 -1.46 -0.33 116.57 119.00 3ek7 h LYS 237 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3ek7 h LYS 237 Cb 1.07 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3ek7 h LYS 237 CO 0.10 0.20 0.00 0.00 -1.08 0.00 0.00 179.45 178.67 3ek7 n GLN 238 N -4.45 0.47 -0.20 3.15 0.00 -1.26 -3.07 117.38 112.01 3ek7 n GLN 238 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 57.00 57.10 3ek7 n GLN 238 Cb 0.13 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 29.04 3ek7 n GLN 238 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3ek7 n HIS 239 N -1.21 0.52 -3.09 2.61 8.25 -0.14 -4.54 115.22 117.63 3ek7 n HIS 239 Ca 0.14 -0.46 -0.45 0.00 -0.26 0.00 0.00 57.72 56.69 3ek7 n HIS 239 Cb 0.16 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 3ek7 n HIS 239 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ek7 s ASP 240 N -1.01 6.94 0.15 0.41 -1.08 -1.18 -4.48 116.67 116.42 3ek7 s ASP 240 Ca 0.28 -2.79 -0.17 0.00 -0.52 0.00 0.00 52.55 49.34 3ek7 s ASP 240 Cb 0.15 -2.33 0.06 0.00 -1.46 0.00 0.00 42.92 39.34 3ek7 s ASP 240 CO 0.19 -0.71 1.72 0.15 0.52 0.00 0.00 175.17 177.04 3ek7 h PHE 241 N 7.65 0.07 -0.31 -5.34 3.57 -1.89 -2.87 116.94 117.81 3ek7 h PHE 241 Ca 0.21 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3ek7 h PHE 241 Cb 0.95 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3ek7 h PHE 241 CO 1.04 -0.01 0.19 0.74 -2.23 0.00 0.00 178.31 178.05 3ek7 h PHE 242 N 0.15 0.37 -0.09 0.41 0.04 -1.89 -1.55 116.94 114.37 3ek7 h PHE 242 Ca 0.16 0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.76 3ek7 h PHE 242 Cb 0.19 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 3ek7 h PHE 242 CO -0.20 0.23 -0.70 0.87 -0.60 0.00 0.00 178.31 177.91 3ek7 h LYS 243 N 0.40 0.43 -0.53 1.51 1.57 -1.84 -3.21 116.57 114.89 3ek7 h LYS 243 Ca 0.11 -0.34 0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3ek7 h LYS 243 Cb -0.03 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3ek7 h LYS 243 CO -0.04 0.97 0.36 0.66 -0.57 0.00 0.00 179.45 180.83 3ek7 h SER 244 N 0.30 0.34 0.57 0.86 4.64 -1.17 -1.47 113.55 117.62 3ek7 h SER 244 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3ek7 h SER 244 Cb 1.27 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3ek7 h SER 244 CO 0.12 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.29 3ek7 n ALA 245 N -2.52 2.07 -2.38 5.18 0.00 -0.64 -4.65 120.51 117.56 3ek7 n ALA 245 Ca 0.08 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 3ek7 n ALA 245 Cb 0.32 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3ek7 n ALA 245 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ek7 s MET 246 N -2.77 3.60 0.06 0.00 1.00 -0.55 -0.80 119.30 119.84 3ek7 s MET 246 Ca 0.16 0.11 0.25 0.00 0.00 0.00 0.00 55.69 56.21 3ek7 s MET 246 Cb 0.14 -2.49 1.02 0.00 0.00 0.00 0.00 34.83 33.50 3ek7 s MET 246 CO 0.36 -0.01 1.80 -0.35 0.00 0.00 0.00 175.02 176.82 3ek7 n PRO 247 N -1.67 0.07 0.19 2.03 -0.04 -1.26 -4.04 135.00 130.27 3ek7 n PRO 247 Ca -0.01 0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 3ek7 n PRO 247 Cb 0.55 -1.59 0.36 0.00 -0.04 0.00 0.00 33.50 32.78 3ek7 n PRO 247 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ek7 h GLU 248 N 0.00 0.00 0.00 0.54 3.07 -1.88 -2.76 114.58 113.54 3ek7 h GLU 248 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ek7 h GLU 248 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3ek7 h GLU 248 CO 0.00 0.39 0.00 0.41 -1.40 0.00 0.00 179.01 178.41 3ek7 n GLY 249 N -0.14 -2.06 3.17 -3.84 0.00 0.02 -4.62 105.19 97.72 3ek7 n GLY 249 Ca -0.01 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 3ek7 n GLY 249 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ek7 s TYR 250 N -0.14 0.31 -0.19 1.61 -0.85 -0.15 -1.03 117.35 116.90 3ek7 s TYR 250 Ca 0.00 -0.77 -0.11 0.00 -0.52 0.00 0.00 57.07 55.67 3ek7 s TYR 250 Cb 0.00 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 3ek7 s TYR 250 CO 0.00 -0.50 0.16 0.42 -1.52 0.00 0.00 175.55 174.11 3ek7 s ILE 251 N -3.89 5.39 -0.16 -3.49 -1.09 0.73 -0.56 121.20 118.13 3ek7 s ILE 251 Ca 0.07 0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 3ek7 s ILE 251 Cb 0.06 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 3ek7 s ILE 251 CO -0.10 0.43 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.29 3ek7 s GLN 252 N 0.38 3.12 -0.04 2.79 0.74 -0.08 -1.27 119.66 125.30 3ek7 s GLN 252 Ca 0.09 -0.79 0.06 0.00 0.05 0.00 0.00 55.36 54.77 3ek7 s GLN 252 Cb -0.11 -2.59 -0.01 0.00 1.10 0.00 0.00 33.01 31.40 3ek7 s GLN 252 CO -0.01 -0.07 -0.23 -1.21 -0.55 0.00 0.00 175.29 173.23 3ek7 s GLU 253 N 0.99 2.20 0.08 1.67 2.02 0.26 -0.07 118.70 125.85 3ek7 s GLU 253 Ca -0.02 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.16 3ek7 s GLU 253 Cb -0.15 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 3ek7 s GLU 253 CO -0.04 0.38 -0.06 1.03 0.02 0.00 0.00 175.26 176.59 3ek7 s ARG 254 N -0.21 0.72 -0.07 1.61 0.52 -0.79 -0.41 118.95 120.32 3ek7 s ARG 254 Ca -0.00 -1.19 0.04 0.00 -0.52 0.00 0.00 55.73 54.05 3ek7 s ARG 254 Cb -0.12 -0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 3ek7 s ARG 254 CO 0.02 -0.02 -0.19 0.99 0.02 0.00 0.00 175.30 176.11 3ek7 s THR 255 N -3.22 2.56 -0.18 0.02 2.01 -0.42 -0.72 115.64 115.69 3ek7 s THR 255 Ca 0.06 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3ek7 s THR 255 Cb 0.03 -1.99 0.04 0.00 0.01 0.00 0.00 72.50 70.58 3ek7 s THR 255 CO -0.05 0.56 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.71 3ek7 s ILE 256 N -0.17 1.53 -0.35 1.82 1.01 0.58 -1.53 121.20 124.09 3ek7 s ILE 256 Ca -0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 3ek7 s ILE 256 Cb -0.14 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3ek7 s ILE 256 CO 0.03 0.24 0.25 -0.36 0.00 0.00 0.00 174.94 175.11 3ek7 s PHE 257 N 1.46 3.23 -0.39 3.97 0.40 0.19 -1.10 117.98 125.74 3ek7 s PHE 257 Ca 0.01 -0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 55.83 3ek7 s PHE 257 Cb -0.15 -2.50 0.01 0.00 0.51 0.00 0.00 43.02 40.90 3ek7 s PHE 257 CO -0.09 -0.40 0.81 -0.06 0.70 0.00 0.00 175.22 176.18 3ek7 s PHE 258 N 1.71 3.07 0.22 0.36 0.08 -0.74 -0.19 117.98 122.49 3ek7 s PHE 258 Ca 0.06 0.47 -0.32 0.00 0.12 0.00 0.00 56.93 57.26 3ek7 s PHE 258 Cb -0.18 -3.53 -0.14 0.00 -0.57 0.00 0.00 43.02 38.61 3ek7 s PHE 258 CO 0.10 -0.83 1.41 1.17 -0.10 0.00 0.00 175.22 176.98 3ek7 n LYS 259 N 6.58 1.95 -1.68 0.44 3.00 -0.77 -0.16 118.16 127.51 3ek7 n LYS 259 Ca 0.03 0.70 -0.21 0.00 -0.00 0.00 0.00 58.31 58.83 3ek7 n LYS 259 Cb 0.48 -2.35 -0.08 0.00 0.00 0.00 0.00 35.03 33.08 3ek7 n LYS 259 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3ek7 n ASP 260 N 2.34 -5.56 -0.01 3.14 8.00 -1.26 -4.81 116.55 118.39 3ek7 n ASP 260 Ca 0.13 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.10 3ek7 n ASP 260 Cb 0.30 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.52 3ek7 n ASP 260 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ek7 n ASP 261 N -1.44 0.00 -2.22 -2.24 -0.08 0.78 -4.92 116.55 106.42 3ek7 n ASP 261 Ca -0.21 -0.01 -0.03 0.00 -1.51 0.00 0.00 54.79 53.03 3ek7 n ASP 261 Cb 0.69 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.17 3ek7 n ASP 261 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ek7 n GLY 262 N 0.00 -0.58 3.16 0.27 0.00 -1.17 -4.61 105.19 102.25 3ek7 n GLY 262 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 3ek7 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek7 s ASN 263 N -1.49 1.37 -0.07 1.61 2.20 -0.71 -1.80 114.94 116.05 3ek7 s ASN 263 Ca 0.08 -0.77 -0.03 0.00 -0.94 0.00 0.00 52.86 51.20 3ek7 s ASN 263 Cb -0.00 0.01 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 3ek7 s ASN 263 CO 0.05 -0.25 0.06 -0.31 -2.94 0.00 0.00 177.10 173.72 3ek7 s TYR 264 N -2.23 3.32 -0.11 1.54 2.02 -0.26 -1.54 117.35 120.09 3ek7 s TYR 264 Ca 0.03 0.30 0.03 0.00 -0.37 0.00 0.00 57.07 57.06 3ek7 s TYR 264 Cb -0.04 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 3ek7 s TYR 264 CO 0.00 0.57 -0.21 0.15 -1.57 0.00 0.00 175.55 174.49 3ek7 s LYS 265 N -1.15 2.84 0.04 -0.62 1.02 0.08 -0.31 119.74 121.64 3ek7 s LYS 265 Ca 0.16 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.41 3ek7 s LYS 265 Cb -0.12 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3ek7 s LYS 265 CO 0.06 0.08 -0.15 0.95 -0.92 0.00 0.00 175.35 175.36 3ek7 s THR 266 N 0.58 1.22 -0.04 2.17 -4.23 0.10 -0.89 115.64 114.55 3ek7 s THR 266 Ca -0.14 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3ek7 s THR 266 Cb -0.17 -1.09 0.03 0.00 1.34 0.00 0.00 72.50 72.61 3ek7 s THR 266 CO 0.04 0.06 0.01 -0.60 -0.54 0.00 0.00 174.62 173.59 3ek7 s ARG 267 N -1.10 0.33 0.08 3.99 3.52 -0.34 -1.88 118.95 123.55 3ek7 s ARG 267 Ca 0.03 0.14 0.05 0.00 -0.13 0.00 0.00 55.73 55.82 3ek7 s ARG 267 Cb -0.08 -0.63 -0.03 0.00 -1.56 0.00 0.00 34.95 32.65 3ek7 s ARG 267 CO 0.01 -0.21 -0.14 0.00 -0.81 0.00 0.00 175.30 174.15 3ek7 s ALA 268 N 1.48 1.23 -0.22 6.12 0.00 0.90 -0.71 121.76 130.56 3ek7 s ALA 268 Ca -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 3ek7 s ALA 268 Cb -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3ek7 s ALA 268 CO -0.03 0.13 -0.06 -1.21 0.00 0.00 0.00 175.76 174.59 3ek7 s GLU 269 N -2.05 3.23 -0.25 0.00 2.02 -0.42 -0.90 118.70 120.34 3ek7 s GLU 269 Ca 0.01 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.25 3ek7 s GLU 269 Cb -0.08 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.19 3ek7 s GLU 269 CO 0.02 -0.24 -0.04 0.08 0.02 0.00 0.00 175.26 175.10 3ek7 s VAL 270 N 1.43 3.17 0.15 2.63 1.01 0.27 -1.71 120.40 127.35 3ek7 s VAL 270 Ca 0.05 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 3ek7 s VAL 270 Cb -0.15 -2.56 0.07 0.00 0.00 0.00 0.00 36.38 33.74 3ek7 s VAL 270 CO -0.04 0.25 0.75 -1.59 0.00 0.00 0.00 175.10 174.48 3ek7 s LYS 271 N 1.40 1.27 0.16 2.72 -2.85 -0.54 -0.97 119.74 120.92 3ek7 s LYS 271 Ca 0.02 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.12 3ek7 s LYS 271 Cb -0.16 0.51 -0.07 0.00 -2.06 0.00 0.00 37.83 36.05 3ek7 s LYS 271 CO -0.03 -0.57 0.99 -0.06 0.10 0.00 0.00 175.35 175.78 3ek7 s PHE 272 N -3.56 3.80 -0.30 1.78 0.08 -1.04 -0.69 117.98 118.04 3ek7 s PHE 272 Ca 0.06 1.79 0.02 0.00 0.12 0.00 0.00 56.93 58.91 3ek7 s PHE 272 Cb -0.02 -3.09 0.09 0.00 -0.57 0.00 0.00 43.02 39.43 3ek7 s PHE 272 CO -0.05 0.08 0.03 -1.21 -0.10 0.00 0.00 175.22 173.97 3ek7 s GLU 273 N -0.41 1.32 7.52 0.44 2.02 0.03 -4.93 118.70 124.69 3ek7 s GLU 273 Ca 0.46 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 54.03 3ek7 s GLU 273 Cb -0.25 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3ek7 s GLU 273 CO 0.32 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.15 3ek7 n GLY 274 N 4.53 3.21 0.61 -1.39 0.00 -1.26 -2.14 105.19 108.75 3ek7 n GLY 274 Ca -0.02 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3ek7 n GLY 274 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ek7 n ASP 275 N 4.66 1.89 -4.81 1.61 8.00 -1.26 -4.90 116.55 121.75 3ek7 n ASP 275 Ca 0.00 -1.66 -0.37 0.00 0.71 0.00 0.00 54.79 53.47 3ek7 n ASP 275 Cb 0.00 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 3ek7 n ASP 275 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ek7 s THR 276 N -1.92 5.25 -0.30 -3.53 2.01 -0.91 -4.33 115.64 111.91 3ek7 s THR 276 Ca 0.35 0.58 -0.18 0.00 0.31 0.00 0.00 61.69 62.75 3ek7 s THR 276 Cb 0.20 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3ek7 s THR 276 CO 0.31 0.53 0.50 -0.22 -0.69 0.00 0.00 174.62 175.05 3ek7 s LEU 277 N -0.56 4.17 -0.10 4.42 1.98 0.44 -0.79 118.68 128.24 3ek7 s LEU 277 Ca 0.19 0.27 0.01 0.00 -2.89 0.00 0.00 54.13 51.71 3ek7 s LEU 277 Cb -0.14 -2.61 -0.02 0.00 0.66 0.00 0.00 46.19 44.08 3ek7 s LEU 277 CO 0.08 -0.36 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.38 3ek7 s VAL 278 N 2.33 3.27 -0.28 1.68 1.01 0.13 -1.22 120.40 127.31 3ek7 s VAL 278 Ca 0.20 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3ek7 s VAL 278 Cb -0.16 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.95 3ek7 s VAL 278 CO 0.11 0.55 -0.06 0.21 0.00 0.00 0.00 175.10 175.91 3ek7 s ASN 279 N -0.19 4.54 -0.19 3.32 2.47 -0.31 -1.47 114.94 123.12 3ek7 s ASN 279 Ca 0.01 -1.63 -0.02 0.00 0.42 0.00 0.00 52.86 51.64 3ek7 s ASN 279 Cb -0.13 -1.57 -0.00 0.00 -1.45 0.00 0.00 41.25 38.09 3ek7 s ASN 279 CO 0.03 -0.25 -0.10 -0.13 -3.72 0.00 0.00 177.10 172.93 3ek7 s ARG 280 N 1.04 3.29 -0.02 0.43 0.52 -0.69 -0.56 118.95 122.95 3ek7 s ARG 280 Ca -0.03 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 3ek7 s ARG 280 Cb -0.20 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 3ek7 s ARG 280 CO -0.06 -0.10 -0.20 0.42 0.02 0.00 0.00 175.30 175.38 3ek7 s ILE 281 N 1.15 1.58 -0.11 1.52 1.01 0.22 -1.29 121.20 125.28 3ek7 s ILE 281 Ca 0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 3ek7 s ILE 281 Cb -0.14 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3ek7 s ILE 281 CO -0.03 0.45 -0.10 -1.83 0.00 0.00 0.00 174.94 173.43 3ek7 s GLU 282 N -0.42 3.21 -0.06 2.79 -1.05 0.11 -1.37 118.70 121.91 3ek7 s GLU 282 Ca 0.06 -0.62 0.03 0.00 -0.15 0.00 0.00 54.97 54.29 3ek7 s GLU 282 Cb -0.08 -2.65 0.01 0.00 -0.44 0.00 0.00 34.13 30.96 3ek7 s GLU 282 CO -0.00 0.36 -0.13 -1.17 0.95 0.00 0.00 175.26 175.27 3ek7 s LEU 283 N -0.02 1.73 -0.11 1.83 0.20 -0.33 -1.20 118.68 120.78 3ek7 s LEU 283 Ca -0.02 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.52 3ek7 s LEU 283 Cb -0.14 -0.83 0.01 0.00 -0.43 0.00 0.00 46.19 44.81 3ek7 s LEU 283 CO 0.03 0.06 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.26 3ek7 s LYS 284 N 0.46 2.20 -0.10 1.98 2.20 -0.07 -1.46 119.74 124.95 3ek7 s LYS 284 Ca -0.11 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 3ek7 s LYS 284 Cb -0.14 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 3ek7 s LYS 284 CO 0.03 -0.05 -0.11 0.20 -0.36 0.00 0.00 175.35 175.05 3ek7 s GLY 285 N 0.95 1.58 0.10 5.54 0.00 0.17 -0.74 107.32 114.92 3ek7 s GLY 285 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.77 3ek7 s GLY 285 CO -0.01 -0.40 -0.08 -0.26 0.00 0.00 0.00 173.10 172.36 3ek7 s ILE 286 N -0.10 0.76 -1.32 0.90 -4.36 -0.59 -1.25 121.20 115.25 3ek7 s ILE 286 Ca -0.01 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 3ek7 s ILE 286 Cb -0.14 -1.54 0.00 0.00 1.25 0.00 0.00 42.46 42.03 3ek7 s ILE 286 CO 0.03 -0.77 0.00 0.47 0.24 0.00 0.00 174.94 174.92 3ek7 n ASP 287 N 0.18 -4.48 -4.83 4.36 8.00 -1.26 -1.74 116.55 116.78 3ek7 n ASP 287 Ca -0.14 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 3ek7 n ASP 287 Cb 0.60 -3.51 -0.07 0.00 -0.02 0.00 0.00 41.12 38.12 3ek7 n ASP 287 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ek7 s PHE 288 N -2.65 3.37 -0.04 1.24 0.40 -1.26 -3.02 117.98 116.02 3ek7 s PHE 288 Ca 0.00 1.49 -0.22 0.00 -0.60 0.00 0.00 56.93 57.59 3ek7 s PHE 288 Cb 0.00 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 3ek7 s PHE 288 CO 0.00 -0.01 0.65 0.15 0.70 0.00 0.00 175.22 176.72 3ek7 s LYS 289 N -3.00 4.40 0.42 0.44 1.02 -1.26 -4.90 119.74 116.86 3ek7 s LYS 289 Ca 0.58 0.81 0.12 0.00 0.02 0.00 0.00 55.97 57.50 3ek7 s LYS 289 Cb -0.10 -3.41 0.97 0.00 -0.52 0.00 0.00 37.83 34.77 3ek7 s LYS 289 CO 0.15 0.19 2.00 0.93 -0.92 0.00 0.00 175.35 177.70 3ek7 h GLU 290 N 6.31 0.45 -0.56 1.68 5.08 -1.96 -1.04 114.58 124.53 3ek7 h GLU 290 Ca -0.42 -0.03 -0.39 0.00 -1.00 0.00 0.00 59.36 57.51 3ek7 h GLU 290 Cb 1.20 -0.10 -0.28 0.00 0.50 0.00 0.00 28.75 30.07 3ek7 h GLU 290 CO 0.73 0.30 -0.45 -3.47 -1.00 0.00 0.00 179.01 175.12 3ek7 n ASP 291 N -4.47 4.18 -2.67 1.42 2.03 -1.26 -3.69 116.55 112.08 3ek7 n ASP 291 Ca 0.08 -3.79 -0.10 0.00 0.52 0.00 0.00 54.79 51.50 3ek7 n ASP 291 Cb 0.28 -0.50 0.07 0.00 -0.72 0.00 0.00 41.12 40.25 3ek7 n ASP 291 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ek7 n GLY 292 N -0.89 -0.99 0.24 0.27 0.00 -0.40 -4.78 105.19 98.66 3ek7 n GLY 292 Ca 0.39 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.83 3ek7 n GLY 292 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ek7 h ASN 293 N -0.54 0.00 0.00 1.61 2.35 -1.93 -1.00 115.58 116.07 3ek7 h ASN 293 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3ek7 h ASN 293 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3ek7 h ASN 293 CO 0.10 0.01 -0.08 0.40 -1.65 0.00 0.00 177.43 176.21 3ek7 h ILE 294 N 0.00 0.00 0.00 2.81 5.03 -1.93 -2.07 117.51 121.35 3ek7 h ILE 294 Ca -0.00 -0.17 -0.02 0.00 -0.12 0.00 0.00 64.86 64.55 3ek7 h ILE 294 Cb 0.81 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.60 3ek7 h ILE 294 CO 0.00 0.00 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.29 3ek7 h LEU 295 N -0.17 0.00 -0.33 1.44 3.38 -1.75 -2.33 115.31 115.55 3ek7 h LEU 295 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ek7 h LEU 295 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ek7 h LEU 295 CO 0.00 0.12 -0.01 0.61 0.09 0.00 0.00 178.44 179.25 3ek7 n GLY 296 N -0.83 -0.68 3.85 0.83 0.00 -0.38 -4.94 105.19 103.04 3ek7 n GLY 296 Ca -0.02 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 3ek7 n GLY 296 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ek7 n HIS 297 N -0.62 -1.69 -0.29 1.61 8.25 -0.88 -4.92 115.22 116.68 3ek7 n HIS 297 Ca 0.22 0.29 0.07 0.00 -0.26 0.00 0.00 57.72 58.04 3ek7 n HIS 297 Cb 0.20 -3.17 0.20 0.00 1.12 0.00 0.00 29.99 28.35 3ek7 n HIS 297 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ek7 n LYS 298 N -4.55 2.89 -3.49 -0.41 5.02 -0.78 -4.98 118.16 111.86 3ek7 n LYS 298 Ca -0.10 -2.26 -0.36 0.00 -2.02 0.00 0.00 58.31 53.57 3ek7 n LYS 298 Cb 0.58 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 3ek7 n LYS 298 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ek7 s LEU 299 N -1.15 4.39 0.52 -0.35 1.43 -1.25 0.55 118.68 122.81 3ek7 s LEU 299 Ca 0.31 0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 54.12 3ek7 s LEU 299 Cb 0.17 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 3ek7 s LEU 299 CO 0.19 0.20 1.26 -1.61 0.23 0.00 0.00 176.35 176.63 3ek7 s GLU 300 N -1.65 3.37 -0.14 1.70 2.02 0.22 -4.69 118.70 119.53 3ek7 s GLU 300 Ca 0.31 2.01 -0.14 0.00 0.02 0.00 0.00 54.97 57.17 3ek7 s GLU 300 Cb -0.15 -2.28 -0.12 0.00 0.10 0.00 0.00 34.13 31.68 3ek7 s GLU 300 CO 0.17 -0.93 0.23 -0.92 0.02 0.00 0.00 175.26 173.83 3ek7 h TYR 301 N 1.64 0.00 -1.90 1.61 3.20 -1.98 -3.46 116.97 116.08 3ek7 h TYR 301 Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 3ek7 h TYR 301 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3ek7 h TYR 301 CO 0.49 0.56 0.00 0.27 -1.64 0.00 0.00 178.16 177.84 3ek7 n ASN 302 N -4.64 0.34 0.00 -2.11 0.23 -1.26 -4.81 115.26 103.01 3ek7 n ASN 302 Ca -0.10 -0.56 0.00 0.00 -0.53 0.00 0.00 54.58 53.39 3ek7 n ASN 302 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 3ek7 n ASN 302 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3ek7 n LEU 307 N 0.00 0.00 -4.80 -4.53 4.77 -1.26 -5.01 117.00 106.17 3ek7 n LEU 307 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3ek7 n LEU 307 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3ek7 n LEU 307 CO 0.00 0.00 0.73 -0.89 -1.33 0.00 0.00 177.39 175.90 3ek7 s THR 308 N 0.00 1.99 0.23 -5.08 2.01 -1.26 -4.92 115.64 108.62 3ek7 s THR 308 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 3ek7 s THR 308 Cb 0.00 -2.79 0.06 0.00 0.01 0.00 0.00 72.50 69.78 3ek7 s THR 308 CO 0.00 0.00 1.67 -0.08 -0.69 0.00 0.00 174.62 175.52 3ek7 h GLU 309 N -1.45 0.77 0.05 4.92 4.81 -2.02 -1.75 114.58 119.92 3ek7 h GLU 309 Ca -0.50 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 58.47 3ek7 h GLU 309 Cb 1.33 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3ek7 h GLU 309 CO 0.62 0.88 -0.13 0.93 -0.73 0.00 0.00 179.01 180.57 3ek7 h GLU 310 N 0.69 -0.24 -0.39 1.92 5.08 -1.99 -1.46 114.58 118.19 3ek7 h GLU 310 Ca 0.11 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3ek7 h GLU 310 Cb 0.64 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3ek7 h GLU 310 CO 0.04 -0.16 0.09 1.96 -1.00 0.00 0.00 179.01 179.95 3ek7 h GLN 311 N -0.25 0.22 -0.68 2.33 4.20 -1.91 -1.64 115.11 117.38 3ek7 h GLN 311 Ca 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3ek7 h GLN 311 Cb 0.28 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3ek7 h GLN 311 CO -0.09 0.14 0.37 0.82 -0.67 0.00 0.00 178.83 179.40 3ek7 h ILE 312 N 0.22 1.21 -0.97 2.54 2.04 -1.23 -1.75 117.51 119.58 3ek7 h ILE 312 Ca 0.19 -0.54 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3ek7 h ILE 312 Cb 0.21 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 3ek7 h ILE 312 CO -0.23 0.23 0.63 0.00 0.00 0.00 0.00 178.15 178.78 3ek7 h ALA 313 N 1.18 1.45 -0.28 1.87 0.00 -0.72 0.10 119.26 122.86 3ek7 h ALA 313 Ca 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ek7 h ALA 313 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ek7 h ALA 313 CO -0.04 0.41 0.05 0.93 0.00 0.00 0.00 179.25 180.59 3ek7 h GLU 314 N 1.12 0.46 -0.82 0.00 5.08 -0.88 -2.10 114.58 117.44 3ek7 h GLU 314 Ca 0.42 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3ek7 h GLU 314 Cb 0.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3ek7 h GLU 314 CO -0.16 0.57 0.42 0.74 -1.00 0.00 0.00 179.01 179.58 3ek7 h PHE 315 N 0.28 1.15 -0.40 4.33 0.05 -0.87 0.11 116.94 121.59 3ek7 h PHE 315 Ca 0.08 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 3ek7 h PHE 315 Cb 0.33 -0.36 -0.02 0.00 2.00 0.00 0.00 35.95 37.90 3ek7 h PHE 315 CO 0.02 0.82 0.22 -0.22 -0.18 0.00 0.00 178.31 178.97 3ek7 h LYS 316 N 1.16 0.56 -0.44 1.51 3.64 -0.69 0.21 116.57 122.52 3ek7 h LYS 316 Ca 0.29 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3ek7 h LYS 316 Cb 0.07 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3ek7 h LYS 316 CO -0.04 0.45 0.21 0.93 -2.27 0.00 0.00 179.45 178.73 3ek7 h GLU 317 N 0.52 0.40 -0.46 1.90 5.08 -1.02 0.18 114.58 121.19 3ek7 h GLU 317 Ca 0.14 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3ek7 h GLU 317 Cb 0.05 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3ek7 h GLU 317 CO -0.02 0.27 0.29 0.00 -1.00 0.00 0.00 179.01 178.54 3ek7 h ALA 318 N 1.25 0.59 -0.98 3.43 0.00 -0.73 -2.29 119.26 120.53 3ek7 h ALA 318 Ca 0.20 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3ek7 h ALA 318 Cb 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3ek7 h ALA 318 CO -0.15 -0.01 0.62 0.35 0.00 0.00 0.00 179.25 180.06 3ek7 h PHE 319 N 0.58 1.14 0.00 0.00 3.57 -0.21 -1.42 116.94 120.60 3ek7 h PHE 319 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3ek7 h PHE 319 Cb -0.03 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.35 3ek7 h PHE 319 CO -0.06 0.52 -0.05 1.03 -2.23 0.00 0.00 178.31 177.53 3ek7 h SER 320 N 1.06 0.00 -0.32 0.41 0.87 -0.38 -1.37 113.55 113.82 3ek7 h SER 320 Ca 0.45 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.97 3ek7 h SER 320 Cb 0.31 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3ek7 h SER 320 CO -0.22 0.05 0.09 -0.07 -0.53 0.00 0.00 176.83 176.15 3ek7 h LEU 321 N 0.00 0.54 0.14 2.23 3.38 -1.07 -3.18 115.31 117.35 3ek7 h LEU 321 Ca -0.00 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 3ek7 h LEU 321 Cb 0.10 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ek7 h LEU 321 CO 0.01 0.55 -1.19 -0.26 0.09 0.00 0.00 178.44 177.63 3ek7 h PHE 322 N 0.57 0.56 -0.78 1.13 0.04 -1.39 -3.41 116.94 113.65 3ek7 h PHE 322 Ca 0.13 -0.41 -0.70 0.00 2.80 0.00 0.00 57.97 59.79 3ek7 h PHE 322 Cb 0.23 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.27 3ek7 h PHE 322 CO 0.01 1.46 2.39 -3.47 -0.60 0.00 0.00 178.31 178.10 3ek7 n ASP 323 N -3.97 4.65 -0.27 2.17 2.03 -0.61 -4.66 116.55 115.89 3ek7 n ASP 323 Ca -0.20 -2.92 -0.01 0.00 0.52 0.00 0.00 54.79 52.19 3ek7 n ASP 323 Cb 0.90 -1.68 0.19 0.00 -0.72 0.00 0.00 41.12 39.80 3ek7 n ASP 323 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3ek7 h LYS 324 N 6.89 1.11 -0.17 -0.67 1.79 -1.79 -2.38 116.57 121.35 3ek7 h LYS 324 Ca 0.47 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3ek7 h LYS 324 Cb 0.78 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3ek7 h LYS 324 CO 1.58 0.76 0.00 -0.40 -1.08 0.00 0.00 179.45 180.31 3ek7 n ASP 325 N -4.39 1.92 -1.71 0.86 5.68 -1.26 -4.94 116.55 112.71 3ek7 n ASP 325 Ca 0.09 -1.73 -0.16 0.00 -0.50 0.00 0.00 54.79 52.50 3ek7 n ASP 325 Cb 0.04 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 39.90 3ek7 n ASP 325 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek7 n GLY 326 N 1.19 0.07 0.88 6.12 0.00 -0.90 -4.88 105.19 107.68 3ek7 n GLY 326 Ca 0.17 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3ek7 n GLY 326 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek7 n ASP 327 N -0.96 2.64 0.00 1.61 5.75 -1.26 -4.94 116.55 119.39 3ek7 n ASP 327 Ca -0.18 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 3ek7 n ASP 327 Cb 0.62 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 3ek7 n ASP 327 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek7 n GLY 328 N 1.33 0.62 2.93 6.12 0.00 -1.26 -4.91 105.19 110.01 3ek7 n GLY 328 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3ek7 n GLY 328 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ek7 s THR 329 N -2.28 0.01 -0.25 2.61 -1.32 -1.26 -3.57 115.64 109.58 3ek7 s THR 329 Ca 0.00 -0.12 -0.15 0.00 -1.21 0.00 0.00 61.69 60.21 3ek7 s THR 329 Cb 0.00 -0.10 -0.04 0.00 -1.51 0.00 0.00 72.50 70.85 3ek7 s THR 329 CO 0.00 -0.07 0.39 -0.63 -2.21 0.00 0.00 174.62 172.11 3ek7 s ILE 330 N -0.18 5.17 0.49 5.08 1.01 0.12 -4.78 121.20 128.10 3ek7 s ILE 330 Ca -0.02 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.28 3ek7 s ILE 330 Cb -0.02 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3ek7 s ILE 330 CO 0.00 0.17 0.70 0.42 0.00 0.00 0.00 174.94 176.23 3ek7 s THR 331 N 1.90 3.32 0.34 2.92 -4.23 -1.26 -0.88 115.64 117.75 3ek7 s THR 331 Ca 0.17 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3ek7 s THR 331 Cb -0.15 -3.22 0.25 0.00 1.34 0.00 0.00 72.50 70.72 3ek7 s THR 331 CO 0.09 -0.14 1.99 0.71 -0.54 0.00 0.00 174.62 176.73 3ek7 h THR 332 N 0.30 1.17 -0.29 3.99 1.35 -1.92 -1.22 112.91 116.29 3ek7 h THR 332 Ca -0.44 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3ek7 h THR 332 Cb 1.28 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 3ek7 h THR 332 CO 0.54 0.18 0.19 0.50 -0.25 0.00 0.00 175.52 176.67 3ek7 h LYS 333 N 0.84 0.38 -0.26 4.72 1.63 -1.99 0.16 116.57 122.05 3ek7 h LYS 333 Ca 0.22 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 3ek7 h LYS 333 Cb -0.05 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 3ek7 h LYS 333 CO -0.04 0.25 0.11 0.93 -3.45 0.00 0.00 179.45 177.25 3ek7 h GLU 334 N 0.39 0.38 -0.65 1.90 5.08 -1.79 0.41 114.58 120.30 3ek7 h GLU 334 Ca 0.11 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3ek7 h GLU 334 Cb -0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3ek7 h GLU 334 CO -0.02 0.40 0.35 1.25 -1.00 0.00 0.00 179.01 179.98 3ek7 h LEU 335 N 0.28 0.81 -0.54 1.33 5.85 -1.08 -1.97 115.31 119.99 3ek7 h LEU 335 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ek7 h LEU 335 Cb 0.15 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3ek7 h LEU 335 CO -0.01 0.68 0.36 1.23 -0.34 0.00 0.00 178.44 180.35 3ek7 h GLY 336 N 0.88 0.77 0.51 3.75 0.00 -0.75 0.14 103.07 108.37 3ek7 h GLY 336 Ca 0.23 -0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.33 3ek7 h GLY 336 CO -0.04 0.28 0.13 -0.84 0.00 0.00 0.00 176.54 176.08 3ek7 h THR 337 N 0.74 0.81 -0.32 4.70 2.02 -0.60 0.21 112.91 120.46 3ek7 h THR 337 Ca 0.20 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 3ek7 h THR 337 Cb -0.08 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3ek7 h THR 337 CO -0.04 0.05 -0.07 0.58 0.37 0.00 0.00 175.52 176.41 3ek7 h VAL 338 N 0.29 1.28 -0.54 3.16 2.07 -0.90 -1.86 116.25 119.74 3ek7 h VAL 338 Ca 0.22 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3ek7 h VAL 338 Cb 0.25 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3ek7 h VAL 338 CO -0.25 0.36 0.19 0.24 0.02 0.00 0.00 177.57 178.13 3ek7 h MET 339 N 0.38 0.82 -0.89 1.57 2.86 -0.64 -2.17 114.93 116.86 3ek7 h MET 339 Ca 0.08 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3ek7 h MET 339 Cb 0.56 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 3ek7 h MET 339 CO 0.03 0.73 0.58 0.00 1.06 0.00 0.00 176.91 179.31 3ek7 h ARG 340 N 0.74 1.07 -0.02 1.72 3.08 0.67 0.48 114.38 122.11 3ek7 h ARG 340 Ca 0.18 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3ek7 h ARG 340 Cb 0.23 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3ek7 h ARG 340 CO -0.01 0.71 -0.25 0.66 -1.07 0.00 0.00 179.97 180.00 3ek7 h SER 341 N 1.10 0.03 -0.49 7.04 4.64 -0.70 -0.93 113.55 124.24 3ek7 h SER 341 Ca 0.35 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3ek7 h SER 341 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3ek7 h SER 341 CO -0.11 0.28 0.00 0.18 -0.87 0.00 0.00 176.83 176.32 3ek7 n LEU 342 N -4.23 2.60 0.00 5.97 4.77 -0.93 -4.90 117.00 120.28 3ek7 n LEU 342 Ca -0.02 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 3ek7 n LEU 342 Cb 0.31 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3ek7 n LEU 342 CO 0.38 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3ek7 n GLY 343 N 1.27 0.72 3.62 -0.72 0.00 -0.35 -5.07 105.19 104.66 3ek7 n GLY 343 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3ek7 n GLY 343 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek7 s GLN 344 N -0.73 3.08 -0.50 1.61 -0.21 0.11 -4.95 119.66 118.07 3ek7 s GLN 344 Ca 0.00 -0.47 0.08 0.00 0.02 0.00 0.00 55.36 54.99 3ek7 s GLN 344 Cb 0.00 -2.77 0.29 0.00 1.00 0.00 0.00 33.01 31.53 3ek7 s GLN 344 CO 0.00 0.59 0.73 0.09 -2.12 0.00 0.00 175.29 174.58 3ek7 n ASN 345 N 2.47 2.38 -4.74 5.90 4.13 -1.26 -1.37 115.26 122.78 3ek7 n ASN 345 Ca -0.18 -3.21 -0.34 0.00 1.68 0.00 0.00 54.58 52.52 3ek7 n ASN 345 Cb 0.53 -0.63 0.08 0.00 -1.54 0.00 0.00 39.78 38.22 3ek7 n ASN 345 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3ek7 s PRO 346 N -2.37 2.36 0.78 3.52 0.04 -1.26 -5.02 135.00 133.06 3ek7 s PRO 346 Ca 0.41 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 3ek7 s PRO 346 Cb 0.23 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.96 3ek7 s PRO 346 CO -0.08 -1.65 1.14 0.95 0.04 0.00 0.00 177.00 177.41 3ek7 s THR 347 N -2.02 2.57 0.18 1.26 -4.23 -1.26 -4.81 115.64 107.32 3ek7 s THR 347 Ca 0.73 0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 61.29 3ek7 s THR 347 Cb -0.27 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.49 3ek7 s THR 347 CO 0.43 -0.24 1.81 -0.08 -0.54 0.00 0.00 174.62 176.00 3ek7 h GLU 348 N -0.97 0.60 -0.84 3.99 4.57 -1.98 0.11 114.58 120.05 3ek7 h GLU 348 Ca -0.46 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 57.71 3ek7 h GLU 348 Cb 1.30 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 3ek7 h GLU 348 CO 0.64 0.40 0.54 0.00 -1.18 0.00 0.00 179.01 179.41 3ek7 h ALA 349 N 1.23 1.09 -0.63 2.92 0.00 -1.99 0.63 119.26 122.51 3ek7 h ALA 349 Ca 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3ek7 h ALA 349 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ek7 h ALA 349 CO -0.09 0.41 0.10 0.93 0.00 0.00 0.00 179.25 180.59 3ek7 h GLU 350 N 1.08 1.04 -0.58 0.00 5.08 -1.67 -1.09 114.58 118.44 3ek7 h GLU 350 Ca 0.32 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3ek7 h GLU 350 Cb -0.05 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3ek7 h GLU 350 CO -0.10 0.97 0.21 -0.07 -1.00 0.00 0.00 179.01 179.03 3ek7 h LEU 351 N 0.95 0.82 -0.84 1.33 3.38 -0.28 -1.54 115.31 119.11 3ek7 h LEU 351 Ca 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3ek7 h LEU 351 Cb 0.44 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3ek7 h LEU 351 CO 0.01 0.78 0.34 -0.61 0.09 0.00 0.00 178.44 179.06 3ek7 h GLN 352 N 0.80 1.19 -0.88 1.13 5.75 -0.67 -1.65 115.11 120.79 3ek7 h GLN 352 Ca 0.19 -0.20 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3ek7 h GLN 352 Cb 0.23 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 3ek7 h GLN 352 CO -0.01 0.95 0.56 -0.44 -2.65 0.00 0.00 178.83 177.23 3ek7 h ASP 353 N 1.17 0.90 0.00 -0.69 3.32 -0.83 0.11 116.42 120.40 3ek7 h ASP 353 Ca 0.27 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 3ek7 h ASP 353 Cb 0.18 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ek7 h ASP 353 CO -0.03 0.59 -0.00 0.24 -1.72 0.00 0.00 179.24 178.32 3ek7 h MET 354 N 1.04 -0.00 -0.81 3.56 2.86 -0.89 -2.94 114.93 117.75 3ek7 h MET 354 Ca 0.37 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.99 3ek7 h MET 354 Cb 0.11 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3ek7 h MET 354 CO -0.15 0.26 0.44 0.82 1.06 0.00 0.00 176.91 179.34 3ek7 h ILE 355 N -0.26 1.24 -0.83 -1.22 2.04 -1.08 -3.12 117.51 114.28 3ek7 h ILE 355 Ca -0.00 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.34 3ek7 h ILE 355 Cb 0.26 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 3ek7 h ILE 355 CO 0.00 0.27 0.47 0.78 0.00 0.00 0.00 178.15 179.68 3ek7 h ASN 356 N 1.13 0.68 -0.42 1.72 2.35 -0.62 -1.71 115.58 118.71 3ek7 h ASN 356 Ca 0.29 0.05 0.11 0.00 -0.55 0.00 0.00 56.30 56.19 3ek7 h ASN 356 Cb 0.04 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3ek7 h ASN 356 CO -0.04 0.39 0.30 -0.08 -1.65 0.00 0.00 177.43 176.35 3ek7 h GLU 357 N 0.80 0.08 -0.11 0.81 4.57 -1.45 -2.71 114.58 116.57 3ek7 h GLU 357 Ca 0.40 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 3ek7 h GLU 357 Cb 0.35 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3ek7 h GLU 357 CO -0.24 0.05 0.00 1.33 -1.18 0.00 0.00 179.01 178.97 3ek7 n VAL 358 N -4.43 0.27 -3.03 0.32 0.24 -0.73 -4.86 118.33 106.10 3ek7 n VAL 358 Ca 0.07 -0.63 -0.44 0.00 -2.04 0.00 0.00 64.34 61.29 3ek7 n VAL 358 Cb 0.44 1.04 -0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3ek7 n VAL 358 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ek7 s ASP 359 N -0.96 7.12 0.29 -1.34 3.68 -0.72 -4.85 116.67 119.89 3ek7 s ASP 359 Ca 0.16 -3.12 -0.02 0.00 2.13 0.00 0.00 52.55 51.71 3ek7 s ASP 359 Cb 0.10 -2.36 0.41 0.00 -1.45 0.00 0.00 42.92 39.62 3ek7 s ASP 359 CO 0.15 -0.65 1.88 0.00 0.13 0.00 0.00 175.17 176.68 3ek7 h ALA 360 N 7.07 1.28 -0.00 3.66 0.00 -1.89 -1.89 119.26 127.49 3ek7 h ALA 360 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ek7 h ALA 360 Cb 0.88 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ek7 h ALA 360 CO 1.19 0.54 -0.08 -0.40 0.00 0.00 0.00 179.25 180.50 3ek7 n ASP 361 N -4.33 0.39 -1.13 0.00 5.75 -1.26 -4.95 116.55 111.02 3ek7 n ASP 361 Ca 0.06 -0.54 -0.14 0.00 -0.01 0.00 0.00 54.79 54.16 3ek7 n ASP 361 Cb 0.15 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 3ek7 n ASP 361 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek7 n GLY 362 N 1.26 1.35 0.33 6.12 0.00 -0.71 -4.78 105.19 108.77 3ek7 n GLY 362 Ca 0.15 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3ek7 n GLY 362 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ek7 n ASN 363 N -0.32 1.03 0.00 1.61 6.94 -1.26 -4.63 115.26 118.62 3ek7 n ASN 363 Ca -0.14 -1.40 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 3ek7 n ASN 363 Cb 0.48 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 3ek7 n ASN 363 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ek7 n GLY 364 N 1.09 0.78 3.22 4.83 0.00 -1.26 -5.04 105.19 108.81 3ek7 n GLY 364 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3ek7 n GLY 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek7 s THR 365 N -3.06 0.95 -0.31 2.61 -4.23 -1.26 -4.63 115.64 105.71 3ek7 s THR 365 Ca 0.00 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 3ek7 s THR 365 Cb 0.00 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.02 3ek7 s THR 365 CO 0.00 -0.77 0.15 -0.63 -0.54 0.00 0.00 174.62 172.83 3ek7 s ILE 366 N -3.46 4.58 0.68 2.99 1.01 -0.06 -4.86 121.20 122.08 3ek7 s ILE 366 Ca 0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 3ek7 s ILE 366 Cb 0.04 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 39.23 3ek7 s ILE 366 CO -0.01 0.05 0.98 1.51 0.00 0.00 0.00 174.94 177.47 3ek7 s ASP 367 N 1.61 4.83 0.11 3.58 1.47 -1.26 0.13 116.67 127.12 3ek7 s ASP 367 Ca 0.04 0.32 -0.21 0.00 1.18 0.00 0.00 52.55 53.88 3ek7 s ASP 367 Cb -0.17 -0.98 -0.11 0.00 -0.34 0.00 0.00 42.92 41.32 3ek7 s ASP 367 CO 0.06 -1.56 1.75 0.15 0.68 0.00 0.00 175.17 176.26 3ek7 h PHE 368 N -0.50 0.10 -0.95 2.11 3.57 -1.93 -0.89 116.94 118.45 3ek7 h PHE 368 Ca -0.44 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.27 3ek7 h PHE 368 Cb 1.31 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.93 3ek7 h PHE 368 CO 0.27 0.06 0.61 -1.35 -2.23 0.00 0.00 178.31 175.67 3ek7 h PRO 369 N 0.11 0.53 -0.34 6.41 0.11 -1.93 0.29 132.00 137.18 3ek7 h PRO 369 Ca 0.04 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 3ek7 h PRO 369 Cb -0.01 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3ek7 h PRO 369 CO -0.02 0.35 -0.30 0.93 -0.21 0.00 0.00 178.00 178.76 3ek7 h GLU 370 N 0.55 0.80 -0.10 1.05 5.08 -1.78 -0.97 114.58 119.22 3ek7 h GLU 370 Ca 0.52 -0.41 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ek7 h GLU 370 Cb 1.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3ek7 h GLU 370 CO -0.25 1.04 -0.06 0.35 -1.00 0.00 0.00 179.01 179.09 3ek7 h PHE 371 N 0.59 -0.14 -0.50 4.33 3.57 -0.54 -1.78 116.94 122.46 3ek7 h PHE 371 Ca 0.06 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.67 3ek7 h PHE 371 Cb 0.87 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.61 3ek7 h PHE 371 CO 0.07 -0.10 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.92 3ek7 h LEU 372 N -0.06 -0.33 -0.67 0.59 3.38 -0.35 -0.64 115.31 117.22 3ek7 h LEU 372 Ca 0.06 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3ek7 h LEU 372 Cb 0.15 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3ek7 h LEU 372 CO -0.14 -0.12 0.32 0.74 0.09 0.00 0.00 178.44 179.33 3ek7 h THR 373 N 0.06 1.23 -0.45 0.22 2.02 -0.96 0.10 112.91 115.12 3ek7 h THR 373 Ca 0.25 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.80 3ek7 h THR 373 Cb 0.38 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3ek7 h THR 373 CO -0.47 0.27 0.26 -0.03 0.37 0.00 0.00 175.52 175.92 3ek7 h MET 374 N 0.94 0.50 0.00 6.66 1.85 -0.82 0.03 114.93 124.09 3ek7 h MET 374 Ca 0.23 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.29 3ek7 h MET 374 Cb 0.13 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.04 3ek7 h MET 374 CO -0.03 0.33 0.00 -1.33 -0.40 0.00 0.00 176.91 175.48 3ek7 n MET 375 N -4.85 0.17 0.00 0.39 2.81 -0.29 -2.74 117.12 112.61 3ek7 n MET 375 Ca 0.02 0.14 0.10 0.00 -1.81 0.00 0.00 57.70 56.16 3ek7 n MET 375 Cb 0.08 -1.70 -0.08 0.00 -0.71 0.00 0.00 33.22 30.81 3ek7 n MET 375 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ek7 n ALA 376 N -1.69 4.41 -1.58 3.04 0.00 0.30 -4.82 120.51 120.16 3ek7 n ALA 376 Ca 0.06 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 3ek7 n ALA 376 Cb 0.40 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 3ek7 n ALA 376 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3ek7 n ARG 377 N -1.59 0.61 -1.25 0.00 1.85 -0.04 -4.89 116.66 111.36 3ek7 n ARG 377 Ca 0.03 -1.87 -0.41 0.00 -1.00 0.00 0.00 57.85 54.60 3ek7 n ARG 377 Cb 0.36 -3.68 -0.01 0.00 -1.05 0.00 0.00 32.46 28.08 3ek7 n ARG 377 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3ek7 n LYS 378 N 8.10 0.00 -4.39 2.89 4.81 -1.26 -5.00 118.16 123.31 3ek7 n LYS 378 Ca 0.43 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.68 3ek7 n LYS 378 Cb 0.46 -0.93 -0.10 0.00 0.02 0.00 0.00 35.03 34.48 3ek7 n LYS 378 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3ek7 s MET 379 N -0.93 1.47 0.24 1.64 -1.94 -1.26 -5.10 119.30 113.41 3ek7 s MET 379 Ca 0.57 -1.74 -0.31 0.00 -1.71 0.00 0.00 55.69 52.50 3ek7 s MET 379 Cb -0.71 -0.98 -0.11 0.00 2.01 0.00 0.00 34.83 35.04 3ek7 s MET 379 CO 0.56 0.00 1.55 0.21 -0.01 0.00 0.00 175.02 177.34 3ek7 s LYS 380 N -3.77 4.19 0.44 2.03 2.47 -1.26 -4.82 119.74 119.02 3ek7 s LYS 380 Ca 0.29 2.44 0.27 0.00 -1.56 0.00 0.00 55.97 57.41 3ek7 s LYS 380 Cb 0.04 -3.09 1.34 0.00 -1.46 0.00 0.00 37.83 34.66 3ek7 s LYS 380 CO 0.11 -0.57 1.68 -0.44 0.16 0.00 0.00 175.35 176.29 3ek7 h ASP 381 N 5.63 0.29 0.30 1.43 3.45 -1.99 0.30 116.42 125.83 3ek7 h ASP 381 Ca -0.45 0.10 -0.18 0.00 0.43 0.00 0.00 57.03 56.94 3ek7 h ASP 381 Cb 1.21 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 40.05 3ek7 h ASP 381 CO 0.84 -0.07 -0.71 0.71 -1.57 0.00 0.00 179.24 178.44 3ek7 h THR 382 N 0.18 1.39 -0.35 0.35 1.35 -1.99 0.16 112.91 114.00 3ek7 h THR 382 Ca 0.73 -2.13 -0.12 0.00 -0.55 0.00 0.00 66.41 64.34 3ek7 h THR 382 Cb 2.23 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 70.74 3ek7 h THR 382 CO -0.34 0.64 -0.26 0.44 -0.25 0.00 0.00 175.52 175.75 3ek7 h ASP 383 N 0.24 0.73 -0.37 5.36 5.19 -0.85 -2.10 116.42 124.62 3ek7 h ASP 383 Ca -0.02 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.09 3ek7 h ASP 383 Cb 1.27 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 3ek7 h ASP 383 CO 0.12 0.96 0.16 0.28 -3.12 0.00 0.00 179.24 177.64 3ek7 h SER 384 N 0.62 0.51 -0.81 6.45 0.02 -0.65 -0.71 113.55 118.98 3ek7 h SER 384 Ca 0.08 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3ek7 h SER 384 Cb 0.76 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 3ek7 h SER 384 CO 0.06 0.52 0.46 -0.08 -1.14 0.00 0.00 176.83 176.65 3ek7 h GLU 385 N 0.46 1.12 -0.01 3.45 4.81 -0.62 -2.30 114.58 121.49 3ek7 h GLU 385 Ca 0.13 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 3ek7 h GLU 385 Cb 0.17 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3ek7 h GLU 385 CO -0.01 0.81 -0.73 1.49 -0.73 0.00 0.00 179.01 179.83 3ek7 h GLU 386 N 1.13 0.10 -0.59 1.92 4.57 -1.06 -1.44 114.58 119.21 3ek7 h GLU 386 Ca 0.29 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.31 3ek7 h GLU 386 Cb 0.00 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3ek7 h GLU 386 CO -0.05 0.79 0.10 1.49 -1.18 0.00 0.00 179.01 180.15 3ek7 h GLU 387 N 0.06 0.95 -0.47 1.92 4.81 -0.84 0.72 114.58 121.73 3ek7 h GLU 387 Ca -0.02 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.84 3ek7 h GLU 387 Cb 1.30 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3ek7 h GLU 387 CO 0.10 0.88 -0.25 0.82 -0.73 0.00 0.00 179.01 179.83 3ek7 h ILE 388 N 0.90 1.27 -0.47 2.32 2.04 -1.26 -0.54 117.51 121.77 3ek7 h ILE 388 Ca 0.18 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.65 3ek7 h ILE 388 Cb 0.39 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3ek7 h ILE 388 CO 0.01 0.49 0.26 0.03 0.00 0.00 0.00 178.15 178.93 3ek7 h ARG 389 N 0.85 0.50 -0.75 2.37 3.08 -0.93 -0.69 114.38 118.80 3ek7 h ARG 389 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3ek7 h ARG 389 Cb 0.84 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 3ek7 h ARG 389 CO 0.07 0.33 0.43 1.49 -1.07 0.00 0.00 179.97 181.23 3ek7 h GLU 390 N 0.51 1.03 -0.73 0.04 4.57 -0.73 -2.44 114.58 116.83 3ek7 h GLU 390 Ca 0.19 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3ek7 h GLU 390 Cb 0.06 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 3ek7 h GLU 390 CO -0.11 0.75 0.20 0.00 -1.18 0.00 0.00 179.01 178.67 3ek7 h ALA 391 N 1.23 0.97 -0.52 2.92 0.00 -0.83 -2.38 119.26 120.66 3ek7 h ALA 391 Ca 0.27 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3ek7 h ALA 391 Cb -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 3ek7 h ALA 391 CO -0.05 0.67 0.20 0.35 0.00 0.00 0.00 179.25 180.42 3ek7 h PHE 392 N 1.10 0.35 -0.12 0.00 3.57 -0.89 -1.88 116.94 119.08 3ek7 h PHE 392 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3ek7 h PHE 392 Cb 0.35 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3ek7 h PHE 392 CO 0.03 0.12 0.03 0.00 -2.23 0.00 0.00 178.31 176.26 3ek7 h ARG 393 N 0.39 0.16 -0.41 1.11 3.08 -1.10 0.16 114.38 117.76 3ek7 h ARG 393 Ca 0.25 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 3ek7 h ARG 393 Cb 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3ek7 h ARG 393 CO -0.24 0.15 -0.07 0.28 -1.07 0.00 0.00 179.97 179.02 3ek7 h VAL 394 N 0.16 1.27 -0.20 2.04 2.07 -0.85 -3.21 116.25 117.52 3ek7 h VAL 394 Ca 0.04 -1.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.28 3ek7 h VAL 394 Cb 0.06 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3ek7 h VAL 394 CO -0.00 0.39 -0.43 -0.26 0.02 0.00 0.00 177.57 177.28 3ek7 h PHE 395 N 0.60 0.83 -0.60 1.57 0.04 -0.93 -3.36 116.94 115.09 3ek7 h PHE 395 Ca 0.11 -0.31 -0.60 0.00 2.80 0.00 0.00 57.97 59.98 3ek7 h PHE 395 Cb 0.58 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.52 3ek7 h PHE 395 CO 0.05 1.08 2.05 -3.47 -0.60 0.00 0.00 178.31 177.41 3ek7 n ASP 396 N -4.20 4.20 -0.38 2.17 4.64 0.51 -4.64 116.55 118.85 3ek7 n ASP 396 Ca -0.06 -2.84 -0.01 0.00 -1.38 0.00 0.00 54.79 50.50 3ek7 n ASP 396 Cb 0.56 -1.70 0.13 0.00 -1.04 0.00 0.00 41.12 39.06 3ek7 n ASP 396 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 3ek7 h LYS 397 N 7.92 1.28 -0.14 -0.67 3.64 -1.75 -2.28 116.57 124.57 3ek7 h LYS 397 Ca 0.41 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3ek7 h LYS 397 Cb 0.85 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3ek7 h LYS 397 CO 1.49 0.85 0.00 -0.40 -2.27 0.00 0.00 179.45 179.11 3ek7 n ASP 398 N -4.41 1.80 -1.05 4.20 3.85 -1.26 -4.95 116.55 114.72 3ek7 n ASP 398 Ca 0.13 -1.69 -0.12 0.00 -0.71 0.00 0.00 54.79 52.40 3ek7 n ASP 398 Cb 0.05 -0.08 -0.04 0.00 -1.35 0.00 0.00 41.12 39.70 3ek7 n ASP 398 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ek7 n GLY 399 N 1.18 1.03 0.54 6.12 0.00 -0.86 -4.91 105.19 108.28 3ek7 n GLY 399 Ca 0.17 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.87 3ek7 n GLY 399 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ek7 n ASN 400 N -0.09 1.63 0.00 1.61 6.94 -1.26 -4.90 115.26 119.19 3ek7 n ASN 400 Ca -0.13 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 3ek7 n ASN 400 Cb 0.45 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 3ek7 n ASN 400 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ek7 n GLY 401 N 1.14 0.76 2.90 4.83 0.00 -1.26 -5.04 105.19 108.51 3ek7 n GLY 401 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3ek7 n GLY 401 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ek7 s TYR 402 N -2.85 0.71 -0.26 1.61 1.51 -1.26 -3.95 117.35 112.85 3ek7 s TYR 402 Ca 0.00 -0.18 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 3ek7 s TYR 402 Cb 0.00 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.21 3ek7 s TYR 402 CO 0.00 -0.17 0.62 0.42 -1.11 0.00 0.00 175.55 175.31 3ek7 s ILE 403 N 0.81 4.98 0.54 2.71 1.01 0.90 -4.79 121.20 127.36 3ek7 s ILE 403 Ca -0.11 1.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 3ek7 s ILE 403 Cb -0.14 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3ek7 s ILE 403 CO 0.00 0.01 0.80 -0.94 0.00 0.00 0.00 174.94 174.81 3ek7 s SER 404 N 1.51 5.61 0.22 3.58 1.04 -1.26 -1.19 113.70 123.21 3ek7 s SER 404 Ca 0.25 0.45 -0.08 0.00 0.48 0.00 0.00 55.95 57.05 3ek7 s SER 404 Cb -0.15 -1.52 0.22 0.00 0.10 0.00 0.00 66.02 64.66 3ek7 s SER 404 CO 0.09 -0.96 1.88 0.00 0.98 0.00 0.00 173.24 175.23 3ek7 h ALA 405 N 0.05 1.05 -0.89 5.32 0.00 -1.95 0.08 119.26 122.93 3ek7 h ALA 405 Ca -0.45 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.44 3ek7 h ALA 405 Cb 1.26 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3ek7 h ALA 405 CO 0.58 0.38 0.58 0.00 0.00 0.00 0.00 179.25 180.79 3ek7 h ALA 406 N 1.32 1.16 -0.34 0.00 0.00 -1.98 0.24 119.26 119.66 3ek7 h ALA 406 Ca 0.31 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3ek7 h ALA 406 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3ek7 h ALA 406 CO -0.09 0.45 -0.13 0.93 0.00 0.00 0.00 179.25 180.41 3ek7 h GLU 407 N 1.14 0.70 -0.36 0.00 5.08 -1.73 -1.89 114.58 117.52 3ek7 h GLU 407 Ca 0.35 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3ek7 h GLU 407 Cb -0.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3ek7 h GLU 407 CO -0.10 0.88 0.23 1.25 -1.00 0.00 0.00 179.01 180.27 3ek7 h LEU 408 N 0.48 0.41 -0.50 1.33 5.85 -0.71 -1.78 115.31 120.39 3ek7 h LEU 408 Ca 0.08 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3ek7 h LEU 408 Cb 0.66 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3ek7 h LEU 408 CO 0.04 0.31 0.11 0.03 -0.34 0.00 0.00 178.44 178.59 3ek7 h ARG 409 N 0.48 0.24 -0.26 1.25 3.08 -0.91 -1.55 114.38 116.69 3ek7 h ARG 409 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3ek7 h ARG 409 Cb -0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3ek7 h ARG 409 CO -0.03 0.16 0.17 1.25 -1.07 0.00 0.00 179.97 180.45 3ek7 h HIS 410 N 0.24 0.32 -0.47 3.04 2.76 -0.98 0.66 115.15 120.72 3ek7 h HIS 410 Ca 0.25 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3ek7 h HIS 410 Cb 0.33 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 3ek7 h HIS 410 CO -0.22 0.20 0.23 0.28 -1.30 0.00 0.00 177.93 177.11 3ek7 h VAL 411 N 0.35 1.19 -0.12 5.26 2.07 -1.12 -1.34 116.25 122.54 3ek7 h VAL 411 Ca 0.10 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3ek7 h VAL 411 Cb -0.03 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3ek7 h VAL 411 CO -0.03 0.21 -0.07 0.24 0.02 0.00 0.00 177.57 177.94 3ek7 h MET 412 N 0.62 0.26 -0.87 1.57 2.07 -1.08 -1.70 114.93 115.80 3ek7 h MET 412 Ca 0.16 -0.12 0.06 0.00 -2.07 0.00 0.00 59.70 57.73 3ek7 h MET 412 Cb 0.12 -0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.78 3ek7 h MET 412 CO -0.02 0.61 0.55 1.15 1.07 0.00 0.00 176.91 180.27 3ek7 h THR 413 N -0.10 1.06 -0.27 2.22 2.02 -0.89 -0.07 112.91 116.88 3ek7 h THR 413 Ca 0.03 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 3ek7 h THR 413 Cb 0.54 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3ek7 h THR 413 CO 0.02 0.18 -0.45 0.78 0.37 0.00 0.00 175.52 176.42 3ek7 h ASN 414 N 1.00 0.74 0.42 4.18 4.21 -1.13 -2.55 115.58 122.45 3ek7 h ASN 414 Ca 0.38 -0.36 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 3ek7 h ASN 414 Cb 0.15 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.14 3ek7 h ASN 414 CO -0.17 1.08 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.97 3ek7 h LEU 415 N 0.55 0.00 0.00 1.61 3.38 -0.99 -3.46 115.31 116.40 3ek7 h LEU 415 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ek7 h LEU 415 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ek7 h LEU 415 CO 0.09 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3ek7 n GLY 416 N -0.63 1.02 3.75 0.83 0.00 -0.84 -4.79 105.19 104.53 3ek7 n GLY 416 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3ek7 n GLY 416 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ek7 s GLU 417 N -0.37 2.53 -0.19 1.61 0.41 -0.10 -4.97 118.70 117.63 3ek7 s GLU 417 Ca 0.00 1.53 0.01 0.00 -0.41 0.00 0.00 54.97 56.10 3ek7 s GLU 417 Cb 0.00 -1.90 0.02 0.00 -1.78 0.00 0.00 34.13 30.47 3ek7 s GLU 417 CO 0.00 -1.48 -0.19 0.15 -0.49 0.00 0.00 175.26 173.24 3ek7 s LYS 418 N -4.03 2.94 0.01 1.61 1.02 -1.26 -4.13 119.74 115.90 3ek7 s LYS 418 Ca 0.70 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 3ek7 s LYS 418 Cb -0.24 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3ek7 s LYS 418 CO 0.43 -0.23 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.11 3ek7 s LEU 419 N 1.28 2.12 0.71 3.17 1.43 -1.26 -5.11 118.68 121.03 3ek7 s LEU 419 Ca 0.04 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 3ek7 s LEU 419 Cb -0.13 0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.23 3ek7 s LEU 419 CO -0.12 -0.23 1.09 0.42 0.23 0.00 0.00 176.35 177.73 3ek7 s THR 420 N -1.08 3.60 0.36 5.49 -4.23 -1.26 -4.91 115.64 113.61 3ek7 s THR 420 Ca -0.12 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 3ek7 s THR 420 Cb -0.07 -3.44 0.25 0.00 1.34 0.00 0.00 72.50 70.58 3ek7 s THR 420 CO -0.01 -0.68 2.01 0.44 -0.54 0.00 0.00 174.62 175.84 3ek7 h ASP 421 N -0.71 0.66 -0.45 3.99 3.45 -2.01 -1.49 116.42 119.85 3ek7 h ASP 421 Ca -0.45 -0.03 -0.08 0.00 0.43 0.00 0.00 57.03 56.90 3ek7 h ASP 421 Cb 1.25 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.83 3ek7 h ASP 421 CO 0.62 0.50 0.01 -0.33 -1.57 0.00 0.00 179.24 178.47 3ek7 h GLU 422 N 0.77 0.86 -0.31 3.56 3.07 -1.99 -0.75 114.58 119.79 3ek7 h GLU 422 Ca 0.20 -0.24 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 3ek7 h GLU 422 Cb -0.05 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3ek7 h GLU 422 CO -0.04 0.86 -0.50 0.93 -1.40 0.00 0.00 179.01 178.86 3ek7 h GLU 423 N 0.80 0.88 -0.89 2.33 5.08 -1.72 -1.80 114.58 119.26 3ek7 h GLU 423 Ca 0.15 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3ek7 h GLU 423 Cb 0.47 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3ek7 h GLU 423 CO 0.02 1.17 0.59 0.28 -1.00 0.00 0.00 179.01 180.07 3ek7 h VAL 424 N 0.69 1.23 -0.88 3.13 2.07 -1.05 -2.12 116.25 119.32 3ek7 h VAL 424 Ca 0.03 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3ek7 h VAL 424 Cb 1.10 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3ek7 h VAL 424 CO 0.11 0.22 0.47 0.44 0.02 0.00 0.00 177.57 178.83 3ek7 h ASP 425 N 1.20 1.10 -0.33 0.57 3.45 -0.93 -1.42 116.42 120.06 3ek7 h ASP 425 Ca 0.33 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 3ek7 h ASP 425 Cb -0.13 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.33 3ek7 h ASP 425 CO -0.07 0.89 0.04 -0.33 -1.57 0.00 0.00 179.24 178.20 3ek7 h GLU 426 N 1.23 0.66 -0.31 3.56 4.39 -1.06 0.43 114.58 123.49 3ek7 h GLU 426 Ca 0.31 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 3ek7 h GLU 426 Cb 0.04 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3ek7 h GLU 426 CO -0.05 0.66 0.15 0.52 -1.16 0.00 0.00 179.01 179.13 3ek7 h MET 427 N 0.63 0.44 -0.49 2.33 2.86 -0.76 -2.16 114.93 117.78 3ek7 h MET 427 Ca 0.13 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3ek7 h MET 427 Cb 0.34 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3ek7 h MET 427 CO 0.01 0.42 0.30 0.82 1.06 0.00 0.00 176.91 179.51 3ek7 h ILE 428 N 0.36 1.15 -0.62 -1.22 1.08 -0.96 -2.81 117.51 114.49 3ek7 h ILE 428 Ca 0.11 -0.34 0.12 0.00 -0.39 0.00 0.00 64.86 64.35 3ek7 h ILE 428 Cb 0.12 0.49 -0.09 0.00 -3.07 0.00 0.00 36.82 34.27 3ek7 h ILE 428 CO -0.01 0.15 0.16 -0.09 -0.69 0.00 0.00 178.15 177.67 3ek7 h ARG 429 N 0.66 0.28 -0.55 2.37 2.43 -0.70 0.32 114.38 119.19 3ek7 h ARG 429 Ca 0.18 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3ek7 h ARG 429 Cb -0.01 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3ek7 h ARG 429 CO -0.03 0.19 0.21 0.93 -1.51 0.00 0.00 179.97 179.75 3ek7 h GLU 430 N 0.29 0.80 0.07 0.20 4.39 -1.22 -3.21 114.58 115.90 3ek7 h GLU 430 Ca 0.33 -0.13 -0.29 0.00 0.34 0.00 0.00 59.36 59.61 3ek7 h GLU 430 Cb 0.49 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3ek7 h GLU 430 CO -0.40 0.67 -1.54 0.00 -1.16 0.00 0.00 179.01 176.59 3ek7 h ALA 431 N 1.44 0.43 -1.21 3.43 0.00 -1.10 -3.44 119.26 118.81 3ek7 h ALA 431 Ca 0.19 -1.20 -0.50 0.00 0.00 0.00 0.00 54.91 53.39 3ek7 h ALA 431 Cb 0.18 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3ek7 h ALA 431 CO -0.02 1.29 1.18 0.34 0.00 0.00 0.00 179.25 182.05 3ek7 s ASP 432 N -6.70 5.87 0.13 0.00 2.15 0.10 -4.79 116.67 113.43 3ek7 s ASP 432 Ca -0.07 -0.57 -0.07 0.00 0.43 0.00 0.00 52.55 52.26 3ek7 s ASP 432 Cb 0.08 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 40.05 3ek7 s ASP 432 CO 0.83 -2.04 1.31 0.40 -0.17 0.00 0.00 175.17 175.51 3ek7 h ILE 433 N 6.65 1.35 -0.51 4.11 2.04 -1.86 -3.33 117.51 125.95 3ek7 h ILE 433 Ca -0.08 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.52 3ek7 h ILE 433 Cb 1.06 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3ek7 h ILE 433 CO 1.29 0.69 0.00 -0.90 0.00 0.00 0.00 178.15 179.23 3ek7 n ASP 434 N -3.82 3.52 -1.15 1.72 3.85 -1.26 -4.97 116.55 114.44 3ek7 n ASP 434 Ca -0.07 -1.99 -0.11 0.00 -0.71 0.00 0.00 54.79 51.91 3ek7 n ASP 434 Cb 0.80 -0.33 -0.02 0.00 -1.35 0.00 0.00 41.12 40.21 3ek7 n ASP 434 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ek7 n GLY 435 N 1.54 0.41 0.45 6.12 0.00 -1.25 -4.90 105.19 107.56 3ek7 n GLY 435 Ca 0.21 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3ek7 n GLY 435 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek7 n ASP 436 N -0.06 1.41 0.00 1.61 5.75 -1.26 -4.94 116.55 119.06 3ek7 n ASP 436 Ca -0.13 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3ek7 n ASP 436 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3ek7 n ASP 436 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek7 n GLY 437 N 1.16 0.81 3.26 6.12 0.00 -1.26 -5.04 105.19 110.23 3ek7 n GLY 437 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 3ek7 n GLY 437 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek7 s GLN 438 N -0.26 1.29 -0.24 1.61 -0.21 -1.26 -4.53 119.66 116.06 3ek7 s GLN 438 Ca 0.00 -1.69 -0.03 0.00 0.02 0.00 0.00 55.36 53.66 3ek7 s GLN 438 Cb 0.00 -0.01 0.01 0.00 1.00 0.00 0.00 33.01 34.01 3ek7 s GLN 438 CO 0.00 -0.33 -0.04 0.08 -2.12 0.00 0.00 175.29 172.88 3ek7 s VAL 439 N -3.94 3.19 0.58 1.09 1.01 -0.33 -4.67 120.40 117.34 3ek7 s VAL 439 Ca 0.37 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3ek7 s VAL 439 Cb 0.07 -2.53 0.11 0.00 0.00 0.00 0.00 36.38 34.04 3ek7 s VAL 439 CO 0.12 0.31 0.79 -0.46 0.00 0.00 0.00 175.10 175.86 3ek7 n ASN 440 N 4.75 1.08 -0.13 3.32 0.23 -1.26 -0.07 115.26 123.18 3ek7 n ASN 440 Ca -0.17 -1.91 -0.10 0.00 -0.53 0.00 0.00 54.58 51.87 3ek7 n ASN 440 Cb 0.49 -0.51 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 3ek7 n ASN 440 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3ek7 h TYR 441 N -0.56 0.70 -0.65 -2.53 3.20 -2.00 -0.97 116.97 114.16 3ek7 h TYR 441 Ca -0.26 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.53 3ek7 h TYR 441 Cb 0.97 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 3ek7 h TYR 441 CO 0.00 0.73 0.39 0.93 -1.64 0.00 0.00 178.16 178.57 3ek7 h GLU 442 N 0.47 0.73 -0.60 1.82 3.07 -1.95 -0.85 114.58 117.28 3ek7 h GLU 442 Ca 0.11 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 3ek7 h GLU 442 Cb 0.44 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3ek7 h GLU 442 CO 0.02 0.48 0.01 0.93 -1.40 0.00 0.00 179.01 179.05 3ek7 h GLU 443 N 0.75 1.03 -0.26 2.33 5.08 -1.82 -2.71 114.58 118.98 3ek7 h GLU 443 Ca 0.27 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3ek7 h GLU 443 Cb 0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3ek7 h GLU 443 CO -0.13 1.00 0.11 0.35 -1.00 0.00 0.00 179.01 179.34 3ek7 h PHE 444 N 0.95 0.21 -0.92 4.33 3.04 -0.28 -2.03 116.94 122.24 3ek7 h PHE 444 Ca 0.17 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.16 3ek7 h PHE 444 Cb 0.53 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.94 3ek7 h PHE 444 CO 0.04 0.11 0.60 0.28 -2.02 0.00 0.00 178.31 177.32 3ek7 h VAL 445 N 0.24 1.19 -0.64 1.41 2.07 -1.12 -0.56 116.25 118.83 3ek7 h VAL 445 Ca 0.11 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3ek7 h VAL 445 Cb 0.05 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.68 3ek7 h VAL 445 CO -0.09 0.22 0.25 1.56 0.02 0.00 0.00 177.57 179.53 3ek7 h GLN 446 N 1.20 0.94 -0.44 1.57 4.20 -1.30 0.87 115.11 122.14 3ek7 h GLN 446 Ca 0.35 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 3ek7 h GLN 446 Cb -0.06 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3ek7 h GLN 446 CO -0.10 0.77 -0.18 1.98 -0.67 0.00 0.00 178.83 180.63 3ek7 h MET 447 N 0.93 0.86 0.00 1.46 4.05 -0.67 -3.29 114.93 118.27 3ek7 h MET 447 Ca 0.22 -0.33 -0.12 0.00 -0.28 0.00 0.00 59.70 59.18 3ek7 h MET 447 Cb 0.18 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 3ek7 h MET 447 CO -0.02 0.97 -1.41 -1.33 0.23 0.00 0.00 176.91 175.35 3ek7 n MET 448 N -4.13 0.62 0.00 0.39 2.81 -0.28 -5.11 117.12 111.42 3ek7 n MET 448 Ca 0.01 0.15 0.07 0.00 -1.81 0.00 0.00 57.70 56.12 3ek7 n MET 448 Cb 0.42 -1.77 0.06 0.00 -0.71 0.00 0.00 33.22 31.22 3ek7 n MET 448 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73