#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxf s GLU 35 N 0.00 4.29 0.23 3.49 2.56 -1.26 -5.02 118.70 122.99 3jxf s GLU 35 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 54.97 55.50 3jxf s GLU 35 Cb 0.00 -3.25 -0.10 0.00 2.00 0.00 0.00 34.13 32.78 3jxf s GLU 35 CO 0.00 0.60 1.46 -1.50 -0.56 0.00 0.00 175.26 175.26 3jxf s ILE 36 N -1.02 2.68 0.40 -3.70 2.07 -1.26 -4.97 121.20 115.40 3jxf s ILE 36 Ca 0.31 0.55 -0.26 0.00 -1.41 0.00 0.00 60.65 59.83 3jxf s ILE 36 Cb -0.20 -3.35 -0.09 0.00 0.13 0.00 0.00 42.46 38.95 3jxf s ILE 36 CO 0.20 0.08 1.30 -0.83 -1.91 0.00 0.00 174.94 173.78 3jxf s GLY 37 N 0.56 2.93 0.15 1.50 0.00 -1.26 -5.05 107.32 106.16 3jxf s GLY 37 Ca 0.62 1.23 0.02 0.00 0.00 0.00 0.00 44.72 46.59 3jxf s GLY 37 CO 0.40 1.82 -0.01 0.66 0.00 0.00 0.00 173.10 175.97 3jxf s TRP 38 N -1.25 1.13 0.29 1.90 1.48 -1.26 -4.80 118.94 116.43 3jxf s TRP 38 Ca 0.56 -0.99 0.03 0.00 -1.06 0.00 0.00 56.10 54.64 3jxf s TRP 38 Cb -0.38 -0.64 -0.04 0.00 -1.16 0.00 0.00 33.47 31.25 3jxf s TRP 38 CO 0.49 -0.20 0.19 -1.12 -4.06 0.00 0.00 176.95 172.25 3jxf s SER 39 N -3.14 1.33 -0.11 -2.66 0.01 -0.73 -5.01 113.70 103.39 3jxf s SER 39 Ca 0.21 -1.58 -0.25 0.00 1.31 0.00 0.00 55.95 55.64 3jxf s SER 39 Cb 0.06 0.44 -0.27 0.00 0.21 0.00 0.00 66.02 66.45 3jxf s SER 39 CO 0.02 -0.93 0.75 1.88 0.41 0.00 0.00 173.24 175.37 3jxf h TYR 40 N 2.26 0.21 0.00 2.43 0.05 -1.88 -3.18 116.97 116.86 3jxf h TYR 40 Ca -0.32 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3jxf h TYR 40 Cb 1.25 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3jxf h TYR 40 CO 1.09 1.18 0.00 0.25 -1.05 0.00 0.00 178.16 179.64 3jxf n THR 41 N -4.39 0.00 0.00 -2.88 -2.24 -1.26 -1.25 114.28 102.26 3jxf n THR 41 Ca -0.14 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3jxf n THR 41 Cb 0.64 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 3jxf n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxf n GLY 42 N 0.20 0.56 3.74 3.38 0.00 -1.26 -4.83 105.19 106.98 3jxf n GLY 42 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3jxf n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxf s ALA 43 N -3.29 3.42 -0.79 4.61 0.00 -1.26 -3.16 121.76 121.29 3jxf s ALA 43 Ca 0.00 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 3jxf s ALA 43 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3jxf s ALA 43 CO 0.00 -0.34 0.62 -0.11 0.00 0.00 0.00 175.76 175.93 3jxf n LEU 44 N 2.60 -2.49 -4.88 0.00 7.94 -1.26 -2.55 117.00 116.36 3jxf n LEU 44 Ca 0.04 -0.80 -0.30 0.00 -1.11 0.00 0.00 56.01 53.84 3jxf n LEU 44 Cb 0.45 -1.81 0.18 0.00 0.53 0.00 0.00 43.42 42.77 3jxf n LEU 44 CO 0.55 0.18 0.83 0.54 -1.11 0.00 0.00 177.39 178.38 3jxf s ASN 45 N -2.87 3.00 0.44 1.96 2.20 -1.19 -1.77 114.94 116.72 3jxf s ASN 45 Ca 0.03 0.38 0.17 0.00 -0.94 0.00 0.00 52.86 52.51 3jxf s ASN 45 Cb -0.00 -0.51 1.01 0.00 -2.00 0.00 0.00 41.25 39.75 3jxf s ASN 45 CO 0.88 -2.81 1.95 0.06 -2.94 0.00 0.00 177.10 174.24 3jxf h GLN 46 N -1.69 0.00 0.00 3.55 3.07 -1.15 0.17 115.11 119.06 3jxf h GLN 46 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.26 3jxf h GLN 46 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.81 3jxf h GLN 46 CO 0.41 0.24 -0.13 0.87 0.09 0.00 0.00 178.83 180.31 3jxf h LYS 47 N 0.00 0.00 -0.32 0.06 1.79 -1.92 -3.12 116.57 113.06 3jxf h LYS 47 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3jxf h LYS 47 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3jxf h LYS 47 CO 0.03 0.13 0.00 0.09 -1.08 0.00 0.00 179.45 178.62 3jxf n ASN 48 N -3.80 2.87 -0.31 0.86 5.03 0.56 -4.57 115.26 115.91 3jxf n ASN 48 Ca -0.02 -1.89 0.02 0.00 0.87 0.00 0.00 54.58 53.56 3jxf n ASN 48 Cb 0.23 -0.21 0.15 0.00 -1.02 0.00 0.00 39.78 38.93 3jxf n ASN 48 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 3jxf h TRP 49 N 2.52 0.96 -0.18 3.10 6.55 -1.37 -1.86 115.95 125.66 3jxf h TRP 49 Ca 0.00 0.03 0.05 0.00 0.95 0.00 0.00 58.89 59.92 3jxf h TRP 49 Cb 0.73 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.72 3jxf h TRP 49 CO 0.21 0.46 0.29 0.78 -1.05 0.00 0.00 178.44 179.13 3jxf h GLY 50 N 0.92 0.00 1.78 1.49 0.00 -1.81 0.39 103.07 105.84 3jxf h GLY 50 Ca 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 3jxf h GLY 50 CO -0.20 0.00 -0.20 0.50 0.00 0.00 0.00 176.54 176.65 3jxf h LYS 51 N 0.00 0.26 0.00 4.80 1.57 -1.67 -3.18 116.57 118.35 3jxf h LYS 51 Ca 0.08 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 3jxf h LYS 51 Cb 0.67 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 3jxf h LYS 51 CO -0.00 0.46 -1.92 1.63 -0.57 0.00 0.00 179.45 179.05 3jxf n LYS 52 N -4.20 1.66 -3.81 3.15 4.76 -0.45 -4.81 118.16 114.45 3jxf n LYS 52 Ca -0.01 -0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 3jxf n LYS 52 Cb 0.33 -1.35 -0.13 0.00 -1.84 0.00 0.00 35.03 32.04 3jxf n LYS 52 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3jxf s TYR 53 N -2.39 2.75 0.43 2.13 2.02 0.12 -4.99 117.35 117.42 3jxf s TYR 53 Ca -0.07 -2.93 0.13 0.00 -0.37 0.00 0.00 57.07 53.83 3jxf s TYR 53 Cb 0.04 -2.32 1.00 0.00 -0.40 0.00 0.00 41.96 40.28 3jxf s TYR 53 CO 0.57 -0.70 1.98 -1.35 -1.57 0.00 0.00 175.55 174.48 3jxf h PRO 54 N 6.10 0.43 -0.00 -1.71 0.11 -1.79 -0.59 132.00 134.56 3jxf h PRO 54 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3jxf h PRO 54 Cb 0.86 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3jxf h PRO 54 CO 0.61 0.29 0.00 1.15 -0.21 0.00 0.00 178.00 179.84 3jxf h THR 55 N 0.45 0.52 0.00 -1.15 2.02 -1.88 -1.00 112.91 111.86 3jxf h THR 55 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 3jxf h THR 55 Cb 0.49 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3jxf h THR 55 CO -0.08 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.81 3jxf n ASN 57 N -2.30 3.92 -4.77 0.00 3.02 -0.38 -4.83 115.26 109.92 3jxf n ASN 57 Ca -0.01 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.25 3jxf n ASN 57 Cb 0.08 -0.48 0.12 0.00 -0.61 0.00 0.00 39.78 38.90 3jxf n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3jxf s SER 58 N -1.04 3.84 0.00 6.41 1.04 -0.48 -4.95 113.70 118.52 3jxf s SER 58 Ca 0.49 1.25 0.17 0.00 0.48 0.00 0.00 55.95 58.34 3jxf s SER 58 Cb 0.25 -1.93 0.76 0.00 0.10 0.00 0.00 66.02 65.21 3jxf s SER 58 CO 0.33 -2.37 1.53 -2.65 0.98 0.00 0.00 173.24 171.06 3jxf n PRO 59 N -3.69 1.41 -2.19 4.02 -0.02 -1.26 -4.11 135.00 129.16 3jxf n PRO 59 Ca 0.07 -0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 60.64 3jxf n PRO 59 Cb 0.57 -1.31 0.02 0.00 -0.02 0.00 0.00 33.50 32.76 3jxf n PRO 59 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3jxf n LYS 60 N -0.13 3.31 -3.35 -0.52 5.02 -1.26 -4.69 118.16 116.54 3jxf n LYS 60 Ca 0.13 -4.17 -0.31 0.00 -2.02 0.00 0.00 58.31 51.94 3jxf n LYS 60 Cb 0.20 -2.26 -0.05 0.00 -0.02 0.00 0.00 35.03 32.90 3jxf n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jxf s GLN 61 N -3.66 3.76 0.27 1.97 -1.52 -1.26 -3.39 119.66 115.82 3jxf s GLN 61 Ca 0.51 0.23 0.09 0.00 -1.95 0.00 0.00 55.36 54.24 3jxf s GLN 61 Cb 0.42 -2.62 -0.04 0.00 -0.22 0.00 0.00 33.01 30.54 3jxf s GLN 61 CO -0.16 0.26 0.01 -1.12 -0.25 0.00 0.00 175.29 174.04 3jxf s SER 62 N -2.60 4.59 0.67 5.90 0.01 -1.26 -4.71 113.70 116.29 3jxf s SER 62 Ca 0.47 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 3jxf s SER 62 Cb -0.11 -0.86 0.09 0.00 0.21 0.00 0.00 66.02 65.34 3jxf s SER 62 CO 0.24 -0.01 0.94 -2.16 0.41 0.00 0.00 173.24 172.66 3jxf s PRO 63 N -3.69 2.02 0.23 12.44 0.04 -1.26 -4.61 135.00 140.17 3jxf s PRO 63 Ca 0.32 -0.82 0.03 0.00 0.04 0.00 0.00 61.00 60.57 3jxf s PRO 63 Cb -0.06 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 3jxf s PRO 63 CO 0.20 -1.21 0.00 0.96 0.04 0.00 0.00 177.00 177.00 3jxf s ILE 64 N -3.06 1.00 0.16 0.56 -4.36 -1.26 -0.51 121.20 113.73 3jxf s ILE 64 Ca 0.62 -2.03 -0.26 0.00 -0.26 0.00 0.00 60.65 58.72 3jxf s ILE 64 Cb -0.08 -2.34 -0.08 0.00 1.25 0.00 0.00 42.46 41.21 3jxf s ILE 64 CO 0.43 -0.32 0.81 0.21 0.24 0.00 0.00 174.94 176.31 3jxf s ASN 65 N -3.30 7.42 -0.19 4.36 2.47 -1.26 -3.23 114.94 121.21 3jxf s ASN 65 Ca 0.28 1.68 -0.00 0.00 0.42 0.00 0.00 52.86 55.25 3jxf s ASN 65 Cb 0.06 -2.52 0.02 0.00 -1.45 0.00 0.00 41.25 37.35 3jxf s ASN 65 CO 0.09 0.16 -0.16 -0.63 -3.72 0.00 0.00 177.10 172.84 3jxf s ILE 66 N -0.95 2.35 -0.23 -5.21 1.01 -0.63 -4.97 121.20 112.58 3jxf s ILE 66 Ca 0.38 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 3jxf s ILE 66 Cb -0.23 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3jxf s ILE 66 CO 0.27 0.49 0.07 -1.81 0.00 0.00 0.00 174.94 173.96 3jxf s ASP 67 N 1.32 5.32 0.20 3.58 -0.00 -1.26 -0.77 116.67 125.07 3jxf s ASP 67 Ca 0.05 -0.11 -0.13 0.00 -0.00 0.00 0.00 52.55 52.36 3jxf s ASP 67 Cb -0.14 -1.94 0.23 0.00 -0.00 0.00 0.00 42.92 41.07 3jxf s ASP 67 CO -0.11 0.03 1.65 -0.08 -0.00 0.00 0.00 175.17 176.66 3jxf h GLU 68 N 7.75 0.04 0.00 8.23 4.57 -1.98 0.19 114.58 133.38 3jxf h GLU 68 Ca -0.37 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3jxf h GLU 68 Cb 1.18 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3jxf h GLU 68 CO 0.61 0.02 0.00 -0.40 -1.18 0.00 0.00 179.01 178.06 3jxf n ASP 69 N -5.36 0.29 -1.12 1.04 5.68 -1.26 -1.93 116.55 113.89 3jxf n ASP 69 Ca 0.07 0.58 0.12 0.00 -0.50 0.00 0.00 54.79 55.06 3jxf n ASP 69 Cb 0.32 -0.64 0.19 0.00 -1.14 0.00 0.00 41.12 39.85 3jxf n ASP 69 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3jxf n LEU 70 N -1.83 3.37 -4.98 -2.12 4.77 0.05 -4.95 117.00 111.30 3jxf n LEU 70 Ca 0.02 -1.37 -0.20 0.00 -0.03 0.00 0.00 56.01 54.43 3jxf n LEU 70 Cb 0.16 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3jxf n LEU 70 CO 0.14 0.69 0.28 0.42 -1.33 0.00 0.00 177.39 177.58 3jxf s THR 71 N -1.62 2.97 -0.32 -5.08 -4.23 -0.81 -4.72 115.64 101.83 3jxf s THR 71 Ca 0.36 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 3jxf s THR 71 Cb 0.22 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 71.03 3jxf s THR 71 CO 0.31 -0.04 0.08 -1.58 -0.54 0.00 0.00 174.62 172.85 3jxf s GLN 72 N -4.59 2.71 0.20 3.99 0.74 0.21 -4.94 119.66 117.99 3jxf s GLN 72 Ca 0.55 -1.11 -0.31 0.00 0.05 0.00 0.00 55.36 54.55 3jxf s GLN 72 Cb -0.10 -3.38 -0.10 0.00 1.10 0.00 0.00 33.01 30.53 3jxf s GLN 72 CO 0.36 -0.59 1.51 0.08 -0.55 0.00 0.00 175.29 176.10 3jxf s VAL 73 N 1.40 2.66 -0.26 1.34 1.01 -1.26 -1.30 120.40 123.99 3jxf s VAL 73 Ca -0.01 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3jxf s VAL 73 Cb -0.19 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 32.95 3jxf s VAL 73 CO 0.02 0.06 0.06 0.21 0.00 0.00 0.00 175.10 175.45 3jxf s ASN 74 N 0.83 3.63 0.48 3.32 3.04 -0.23 -4.87 114.94 121.13 3jxf s ASN 74 Ca 0.65 -1.31 0.23 0.00 0.04 0.00 0.00 52.86 52.47 3jxf s ASN 74 Cb -0.43 -0.78 1.22 0.00 -1.54 0.00 0.00 41.25 39.72 3jxf s ASN 74 CO 0.36 -0.36 2.00 -0.37 -3.04 0.00 0.00 177.10 175.69 3jxf h VAL 75 N 6.51 0.77 0.00 -5.21 -1.51 -1.94 -2.75 116.25 112.12 3jxf h VAL 75 Ca -0.15 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 3jxf h VAL 75 Cb 1.05 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3jxf h VAL 75 CO 0.42 0.18 0.00 0.59 -1.23 0.00 0.00 177.57 177.53 3jxf n ASN 76 N -3.80 0.41 -4.76 4.19 3.02 -1.26 -4.80 115.26 108.25 3jxf n ASN 76 Ca -0.02 0.63 -0.41 0.00 -0.03 0.00 0.00 54.58 54.75 3jxf n ASN 76 Cb 0.28 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 3jxf n ASN 76 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3jxf n LEU 77 N -1.98 4.62 -4.68 3.41 4.77 -1.04 -4.95 117.00 117.15 3jxf n LEU 77 Ca 0.01 1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 3jxf n LEU 77 Cb 0.14 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.58 3jxf n LEU 77 CO 0.13 0.19 0.77 -0.54 -1.33 0.00 0.00 177.39 176.62 3jxf s LYS 78 N -1.24 4.37 0.46 3.23 -0.14 0.27 -4.84 119.74 121.86 3jxf s LYS 78 Ca 0.59 1.31 -0.23 0.00 -1.36 0.00 0.00 55.97 56.29 3jxf s LYS 78 Cb -0.48 -3.56 -0.09 0.00 -1.68 0.00 0.00 37.83 32.01 3jxf s LYS 78 CO 0.56 -0.36 0.96 1.17 -0.76 0.00 0.00 175.35 176.91 3jxf n LYS 79 N 5.24 1.20 -2.28 1.68 4.81 -1.26 0.16 118.16 127.71 3jxf n LYS 79 Ca 0.08 0.44 -0.41 0.00 -0.87 0.00 0.00 58.31 57.55 3jxf n LYS 79 Cb 0.48 -2.03 -0.03 0.00 0.02 0.00 0.00 35.03 33.47 3jxf n LYS 79 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3jxf s LEU 80 N -0.65 4.41 -0.17 3.14 1.02 -1.26 -4.41 118.68 120.77 3jxf s LEU 80 Ca 0.66 2.30 0.01 0.00 0.02 0.00 0.00 54.13 57.12 3jxf s LEU 80 Cb -0.52 -3.60 0.02 0.00 0.02 0.00 0.00 46.19 42.11 3jxf s LEU 80 CO 0.55 -0.49 -0.16 -0.75 0.02 0.00 0.00 176.35 175.51 3jxf s LYS 81 N 0.14 2.58 -0.15 1.70 2.47 0.47 -5.00 119.74 121.96 3jxf s LYS 81 Ca 0.57 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 54.22 3jxf s LYS 81 Cb -0.35 -2.37 -0.03 0.00 -1.46 0.00 0.00 37.83 33.63 3jxf s LYS 81 CO 0.36 -0.25 -0.04 -0.06 0.16 0.00 0.00 175.35 175.52 3jxf s PHE 82 N 1.38 3.02 -0.20 4.03 0.08 -1.26 -1.80 117.98 123.23 3jxf s PHE 82 Ca 0.04 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 56.84 3jxf s PHE 82 Cb -0.13 -1.93 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3jxf s PHE 82 CO -0.11 0.01 -0.10 -1.14 -0.10 0.00 0.00 175.22 173.78 3jxf s GLN 83 N 0.22 2.04 0.00 0.44 0.74 -0.02 -4.70 119.66 118.38 3jxf s GLN 83 Ca -0.02 -0.88 0.00 0.00 0.05 0.00 0.00 55.36 54.51 3jxf s GLN 83 Cb -0.14 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.52 3jxf s GLN 83 CO 0.03 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 174.74 3jxf n GLY 84 N 4.67 0.71 0.15 2.59 0.00 -1.26 -1.06 105.19 110.99 3jxf n GLY 84 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.89 3jxf n GLY 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3jxf h TRP 85 N 0.00 0.00 -0.00 1.61 4.06 -1.88 -2.96 115.95 116.78 3jxf h TRP 85 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3jxf h TRP 85 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3jxf h TRP 85 CO 0.00 0.54 -0.01 -0.40 -3.56 0.00 0.00 178.44 175.00 3jxf n ASP 86 N -3.52 0.06 -4.85 -3.49 5.75 -1.26 -1.95 116.55 107.29 3jxf n ASP 86 Ca -0.00 -0.34 -0.32 0.00 -0.01 0.00 0.00 54.79 54.12 3jxf n ASP 86 Cb 0.63 -0.21 -0.05 0.00 -1.03 0.00 0.00 41.12 40.46 3jxf n ASP 86 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3jxf s LYS 87 N -2.46 3.96 0.38 0.11 -0.14 -1.12 -4.95 119.74 115.52 3jxf s LYS 87 Ca 0.32 0.74 -0.28 0.00 -1.36 0.00 0.00 55.97 55.39 3jxf s LYS 87 Cb 0.21 -2.32 -0.10 0.00 -1.68 0.00 0.00 37.83 33.93 3jxf s LYS 87 CO 0.45 -0.02 1.44 0.99 -0.76 0.00 0.00 175.35 177.46 3jxf s THR 88 N -2.26 2.18 0.34 2.17 2.01 -1.26 -4.47 115.64 114.35 3jxf s THR 88 Ca 0.56 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 3jxf s THR 88 Cb -0.10 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.19 3jxf s THR 88 CO 0.23 0.04 1.41 -0.94 -0.69 0.00 0.00 174.62 174.68 3jxf s SER 89 N -0.26 6.55 0.78 3.53 1.04 -0.49 -4.97 113.70 119.88 3jxf s SER 89 Ca 0.53 2.86 -0.12 0.00 0.48 0.00 0.00 55.95 59.71 3jxf s SER 89 Cb -0.45 -2.65 0.07 0.00 0.10 0.00 0.00 66.02 63.08 3jxf s SER 89 CO 0.60 -0.72 1.12 -0.76 0.98 0.00 0.00 173.24 174.46 3jxf s LEU 90 N -1.72 3.07 0.57 2.42 1.43 -1.26 -4.68 118.68 118.51 3jxf s LEU 90 Ca 0.52 1.98 0.35 0.00 -1.03 0.00 0.00 54.13 55.96 3jxf s LEU 90 Cb -0.43 -4.54 1.61 0.00 0.03 0.00 0.00 46.19 42.85 3jxf s LEU 90 CO 0.56 -2.23 2.08 -0.08 0.23 0.00 0.00 176.35 176.91 3jxf h GLU 91 N -1.03 0.00 -1.00 1.70 4.81 -1.94 -2.85 114.58 114.27 3jxf h GLU 91 Ca -0.44 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.31 3jxf h GLU 91 Cb 1.25 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.35 3jxf h GLU 91 CO 0.49 0.03 0.60 0.27 -0.73 0.00 0.00 179.01 179.68 3jxf n ASN 92 N -3.19 3.76 -4.59 1.04 6.94 -1.26 -4.79 115.26 113.17 3jxf n ASN 92 Ca -0.01 -3.47 -0.42 0.00 -0.02 0.00 0.00 54.58 50.66 3jxf n ASN 92 Cb 0.25 -0.81 -0.05 0.00 -2.36 0.00 0.00 39.78 36.80 3jxf n ASN 92 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3jxf s THR 93 N -3.03 4.78 0.01 5.53 2.01 -1.08 -4.88 115.64 118.98 3jxf s THR 93 Ca 0.52 0.91 0.02 0.00 0.31 0.00 0.00 61.69 63.45 3jxf s THR 93 Cb 0.44 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3jxf s THR 93 CO 0.10 -0.36 0.01 -0.36 -0.69 0.00 0.00 174.62 173.32 3jxf s PHE 94 N 2.98 3.08 0.10 4.92 0.40 -1.25 -0.86 117.98 127.36 3jxf s PHE 94 Ca 0.30 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 3jxf s PHE 94 Cb -0.14 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 3jxf s PHE 94 CO 0.15 0.47 0.17 -1.50 0.70 0.00 0.00 175.22 175.21 3jxf s ILE 95 N -1.12 4.98 -0.15 0.64 2.07 -0.30 -1.26 121.20 126.06 3jxf s ILE 95 Ca 0.20 -0.66 -0.07 0.00 -1.41 0.00 0.00 60.65 58.71 3jxf s ILE 95 Cb -0.12 -3.46 0.06 0.00 0.13 0.00 0.00 42.46 39.07 3jxf s ILE 95 CO 0.11 0.06 0.33 -2.28 -1.91 0.00 0.00 174.94 171.25 3jxf s HIS 96 N -1.55 -0.51 -0.54 3.50 5.65 0.57 -1.55 115.29 120.85 3jxf s HIS 96 Ca 0.33 1.10 -0.24 0.00 0.25 0.00 0.00 55.06 56.49 3jxf s HIS 96 Cb -0.12 0.14 0.04 0.00 -1.18 0.00 0.00 32.58 31.46 3jxf s HIS 96 CO 0.26 -0.33 0.93 1.21 -0.65 0.00 0.00 174.74 176.16 3jxf s ASN 97 N 1.73 6.35 0.00 9.88 3.84 -0.57 -0.16 114.94 136.00 3jxf s ASN 97 Ca -0.06 -0.34 0.27 0.00 0.21 0.00 0.00 52.86 52.94 3jxf s ASN 97 Cb -0.10 -2.43 0.84 0.00 -0.55 0.00 0.00 41.25 39.01 3jxf s ASN 97 CO -0.11 -1.21 1.63 0.35 -2.79 0.00 0.00 177.10 174.98 3jxf n THR 98 N 6.19 0.00 0.00 -5.21 -2.24 -0.56 -1.13 114.28 111.34 3jxf n THR 98 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3jxf n THR 98 Cb 0.47 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3jxf n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxf n GLY 99 N 1.40 2.80 0.00 3.38 0.00 -1.26 -4.75 105.19 106.76 3jxf n GLY 99 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 3jxf n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxf n LYS 100 N -2.00 0.83 -3.90 1.61 4.76 -1.26 -4.73 118.16 113.47 3jxf n LYS 100 Ca 0.00 -0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.37 3jxf n LYS 100 Cb 0.00 -1.08 0.02 0.00 -1.84 0.00 0.00 35.03 32.13 3jxf n LYS 100 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3jxf s THR 101 N -2.25 0.00 -0.23 -0.18 -1.32 -1.26 -4.90 115.64 105.50 3jxf s THR 101 Ca -0.01 -0.53 -0.05 0.00 -1.21 0.00 0.00 61.69 59.88 3jxf s THR 101 Cb 0.03 -2.93 -0.02 0.00 -1.51 0.00 0.00 72.50 68.08 3jxf s THR 101 CO 0.22 0.00 0.00 0.68 -2.21 0.00 0.00 174.62 173.31 3jxf s VAL 102 N -2.12 3.79 -0.10 5.08 -7.23 -1.26 -1.50 120.40 117.07 3jxf s VAL 102 Ca 0.23 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.04 3jxf s VAL 102 Cb -0.02 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3jxf s VAL 102 CO 0.05 0.39 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.48 3jxf s GLU 103 N 1.44 3.07 -0.23 4.82 2.12 0.77 -3.69 118.70 126.99 3jxf s GLU 103 Ca 0.05 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.79 3jxf s GLU 103 Cb -0.15 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 3jxf s GLU 103 CO 0.00 0.54 0.08 0.42 -0.54 0.00 0.00 175.26 175.76 3jxf s ILE 104 N -0.46 4.50 -0.54 -3.70 1.01 0.03 -0.32 121.20 121.72 3jxf s ILE 104 Ca 0.07 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.42 3jxf s ILE 104 Cb -0.12 -3.09 0.08 0.00 0.01 0.00 0.00 42.46 39.34 3jxf s ILE 104 CO 0.02 0.36 0.64 0.20 0.00 0.00 0.00 174.94 176.17 3jxf s ASN 105 N 1.30 6.20 0.52 3.58 0.01 -0.39 -1.30 114.94 124.85 3jxf s ASN 105 Ca 0.05 -1.19 -0.19 0.00 -0.71 0.00 0.00 52.86 50.82 3jxf s ASN 105 Cb -0.15 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.16 3jxf s ASN 105 CO 0.04 -0.97 1.07 -0.76 -1.51 0.00 0.00 177.10 174.96 3jxf s LEU 106 N 2.56 3.76 0.00 0.60 1.43 0.20 -3.74 118.68 123.49 3jxf s LEU 106 Ca 0.12 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 3jxf s LEU 106 Cb -0.22 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.44 3jxf s LEU 106 CO 0.09 -0.97 0.00 0.41 0.23 0.00 0.00 176.35 176.11 3jxf n THR 107 N -1.24 0.00 -0.63 5.49 -1.04 -1.26 -4.88 114.28 110.72 3jxf n THR 107 Ca 0.10 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.81 3jxf n THR 107 Cb 0.52 -0.73 0.20 0.00 -1.82 0.00 0.00 70.33 68.50 3jxf n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3jxf s ASN 108 N -3.00 2.24 -1.35 8.00 -0.87 -1.26 -4.89 114.94 113.81 3jxf s ASN 108 Ca 0.00 1.98 -0.14 0.00 -1.57 0.00 0.00 52.86 53.13 3jxf s ASN 108 Cb 0.00 -2.49 0.09 0.00 -0.02 0.00 0.00 41.25 38.83 3jxf s ASN 108 CO 0.00 -3.50 1.92 -0.67 -2.57 0.00 0.00 177.10 172.28 3jxf n ASP 109 N -4.48 4.58 -4.59 -1.22 2.03 -1.26 -4.94 116.55 106.67 3jxf n ASP 109 Ca 0.09 -2.93 -0.42 0.00 0.52 0.00 0.00 54.79 52.05 3jxf n ASP 109 Cb 0.53 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.23 3jxf n ASP 109 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3jxf s TYR 110 N 2.81 3.14 0.05 -0.67 2.02 -1.26 -4.56 117.35 118.87 3jxf s TYR 110 Ca 0.47 0.63 0.06 0.00 -0.37 0.00 0.00 57.07 57.86 3jxf s TYR 110 Cb 0.08 -3.33 -0.04 0.00 -0.40 0.00 0.00 41.96 38.27 3jxf s TYR 110 CO -0.01 -0.68 -0.12 1.03 -1.57 0.00 0.00 175.55 174.20 3jxf s ARG 111 N 3.04 2.24 -0.06 -0.62 0.52 -0.23 -1.05 118.95 122.79 3jxf s ARG 111 Ca 0.31 -0.92 -0.09 0.00 -0.52 0.00 0.00 55.73 54.52 3jxf s ARG 111 Cb -0.13 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.03 3jxf s ARG 111 CO 0.15 0.55 0.22 0.54 0.02 0.00 0.00 175.30 176.79 3jxf s VAL 112 N -1.04 0.03 0.20 3.52 0.11 -0.30 -0.84 120.40 122.09 3jxf s VAL 112 Ca 0.17 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 58.87 3jxf s VAL 112 Cb -0.11 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3jxf s VAL 112 CO 0.09 -0.12 0.43 -0.94 -3.33 0.00 0.00 175.10 171.22 3jxf s SER 113 N -0.42 -0.10 0.00 3.54 1.04 -0.74 -0.33 113.70 116.69 3jxf s SER 113 Ca -0.05 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3jxf s SER 113 Cb -0.04 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3jxf s SER 113 CO 0.01 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3jxf n GLY 114 N -0.31 0.78 6.74 7.32 0.00 -0.85 -0.39 105.19 118.47 3jxf n GLY 114 Ca -0.06 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.72 3jxf n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jxf n GLY 115 N -0.91 1.95 0.08 -0.02 0.00 0.41 -3.80 105.19 102.90 3jxf n GLY 115 Ca 0.00 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.76 3jxf n GLY 115 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jxf n VAL 116 N 0.00 0.00 -3.62 1.61 0.24 -1.26 -0.56 118.33 114.74 3jxf n VAL 116 Ca 0.00 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 3jxf n VAL 116 Cb 0.00 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.03 3jxf n VAL 116 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3jxf s SER 117 N -2.11 -0.24 0.00 -1.34 0.15 -1.25 -4.98 113.70 103.93 3jxf s SER 117 Ca 0.42 -0.16 0.20 0.00 0.70 0.00 0.00 55.95 57.12 3jxf s SER 117 Cb 0.21 0.37 0.47 0.00 -1.71 0.00 0.00 66.02 65.36 3jxf s SER 117 CO 0.39 -0.64 1.40 -0.62 1.20 0.00 0.00 173.24 174.96 3jxf n GLU 118 N -0.34 2.54 -1.87 5.44 1.02 -1.26 -2.01 120.64 124.16 3jxf n GLU 118 Ca -0.07 -2.33 -0.42 0.00 -0.02 0.00 0.00 57.16 54.33 3jxf n GLU 118 Cb 0.61 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 3jxf n GLU 118 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3jxf s MET 119 N -1.20 4.19 -0.10 3.49 1.75 -1.26 -4.78 119.30 121.39 3jxf s MET 119 Ca 0.39 2.45 -0.22 0.00 -1.25 0.00 0.00 55.69 57.06 3jxf s MET 119 Cb 0.21 -3.10 -0.04 0.00 2.84 0.00 0.00 34.83 34.75 3jxf s MET 119 CO 0.29 -0.61 0.64 0.08 -0.65 0.00 0.00 175.02 174.77 3jxf s VAL 120 N 0.69 5.07 0.29 10.11 1.01 -1.26 -4.47 120.40 131.84 3jxf s VAL 120 Ca 0.68 1.30 0.08 0.00 0.00 0.00 0.00 61.98 64.04 3jxf s VAL 120 Cb -0.46 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3jxf s VAL 120 CO 0.37 0.25 0.15 -0.36 0.00 0.00 0.00 175.10 175.51 3jxf s PHE 121 N 0.92 2.90 -0.21 5.22 0.40 0.55 -4.67 117.98 123.09 3jxf s PHE 121 Ca 0.34 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.39 3jxf s PHE 121 Cb -0.17 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3jxf s PHE 121 CO 0.15 0.45 0.02 0.21 0.70 0.00 0.00 175.22 176.75 3jxf s LYS 122 N -3.83 3.64 -0.11 0.44 2.20 0.65 -1.15 119.74 121.58 3jxf s LYS 122 Ca 0.35 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 3jxf s LYS 122 Cb -0.06 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 3jxf s LYS 122 CO 0.24 -0.03 1.08 0.00 -0.36 0.00 0.00 175.35 176.28 3jxf s ALA 123 N 1.14 3.49 0.00 3.13 0.00 -0.21 -2.01 121.76 127.29 3jxf s ALA 123 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3jxf s ALA 123 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3jxf s ALA 123 CO 0.02 -0.75 0.00 -1.13 0.00 0.00 0.00 175.76 173.90 3jxf n SER 124 N 5.35 3.05 -3.94 0.00 3.41 0.07 -4.59 113.62 116.97 3jxf n SER 124 Ca 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 3jxf n SER 124 Cb 0.47 0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 64.90 3jxf n SER 124 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jxf s LYS 125 N -1.25 0.21 -0.06 4.33 1.02 -1.16 -0.63 119.74 122.21 3jxf s LYS 125 Ca 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.64 3jxf s LYS 125 Cb 0.00 0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.39 3jxf s LYS 125 CO 0.00 -0.04 -0.15 0.42 -0.92 0.00 0.00 175.35 174.67 3jxf s ILE 126 N -0.94 1.29 0.22 2.17 1.01 -0.42 -0.32 121.20 124.21 3jxf s ILE 126 Ca -0.10 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.03 3jxf s ILE 126 Cb -0.06 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 3jxf s ILE 126 CO -0.01 0.39 -0.12 0.42 0.00 0.00 0.00 174.94 175.62 3jxf s THR 127 N 0.44 1.67 0.03 2.92 -4.23 0.22 -0.79 115.64 115.91 3jxf s THR 127 Ca -0.12 -2.18 0.06 0.00 -1.18 0.00 0.00 61.69 58.27 3jxf s THR 127 Cb -0.15 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 3jxf s THR 127 CO 0.04 -0.53 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.04 3jxf s PHE 128 N -3.01 1.63 -0.05 3.99 0.40 -1.24 -0.67 117.98 119.03 3jxf s PHE 128 Ca 0.24 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3jxf s PHE 128 Cb 0.01 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.57 3jxf s PHE 128 CO 0.08 0.05 -0.07 -1.01 0.70 0.00 0.00 175.22 174.97 3jxf s HIS 129 N -0.73 1.00 0.24 0.36 3.76 -0.26 -4.54 115.29 115.12 3jxf s HIS 129 Ca 0.06 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.62 3jxf s HIS 129 Cb -0.08 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.78 3jxf s HIS 129 CO 0.01 -0.22 0.26 1.67 -0.85 0.00 0.00 174.74 175.61 3jxf s TRP 130 N 0.80 1.02 0.00 1.40 -2.14 -1.16 -0.95 118.94 117.91 3jxf s TRP 130 Ca -0.13 -1.24 0.00 0.00 2.66 0.00 0.00 56.10 57.39 3jxf s TRP 130 Cb -0.15 -0.35 0.00 0.00 -3.10 0.00 0.00 33.47 29.87 3jxf s TRP 130 CO 0.02 -0.79 0.00 0.41 -2.66 0.00 0.00 176.95 173.92 3jxf n GLY 131 N -0.36 0.80 0.99 3.67 0.00 -1.24 -2.18 105.19 106.88 3jxf n GLY 131 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3jxf n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxf n LYS 132 N 0.00 2.39 -2.92 1.61 5.02 -1.26 -1.71 118.16 121.29 3jxf n LYS 132 Ca 0.00 -2.17 -0.12 0.00 -2.02 0.00 0.00 58.31 54.00 3jxf n LYS 132 Cb 0.00 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3jxf n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jxf s ASN 134 N -3.06 3.26 0.57 0.00 2.20 -1.26 -4.44 114.94 112.22 3jxf s ASN 134 Ca 0.25 -1.35 0.27 0.00 -0.94 0.00 0.00 52.86 51.09 3jxf s ASN 134 Cb -0.11 -0.27 1.66 0.00 -2.00 0.00 0.00 41.25 40.53 3jxf s ASN 134 CO 0.31 -0.49 2.19 0.00 -2.94 0.00 0.00 177.10 176.17 3jxf h MET 135 N 1.94 0.00 -0.37 3.55 -0.00 -1.96 -0.50 114.93 117.58 3jxf h MET 135 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 3jxf h MET 135 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 3jxf h MET 135 CO 0.76 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 178.10 3jxf n SER 136 N -3.99 3.32 -4.83 -0.10 7.64 -1.26 -4.76 113.62 109.65 3jxf n SER 136 Ca -0.01 -1.98 -0.34 0.00 1.01 0.00 0.00 58.87 57.55 3jxf n SER 136 Cb 0.17 -0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 3jxf n SER 136 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3jxf s SER 137 N -1.50 6.92 -0.27 6.43 0.01 -0.20 -5.04 113.70 120.04 3jxf s SER 137 Ca 0.38 1.40 -0.12 0.00 1.31 0.00 0.00 55.95 58.93 3jxf s SER 137 Cb 0.22 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 3jxf s SER 137 CO 0.31 -0.14 0.21 -1.81 0.41 0.00 0.00 173.24 172.23 3jxf s ASP 138 N -2.02 6.08 0.00 2.44 1.01 -1.26 -3.17 116.67 119.75 3jxf s ASP 138 Ca 0.51 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.84 3jxf s ASP 138 Cb -0.13 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.67 3jxf s ASP 138 CO 0.18 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.13 3jxf n GLY 139 N 4.81 0.88 3.81 0.21 0.00 0.32 -4.17 105.19 111.05 3jxf n GLY 139 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3jxf n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jxf s SER 140 N -0.26 4.96 -0.22 1.61 1.04 0.53 -2.98 113.70 118.38 3jxf s SER 140 Ca 0.00 1.48 -0.18 0.00 0.48 0.00 0.00 55.95 57.73 3jxf s SER 140 Cb 0.00 -2.29 -0.15 0.00 0.10 0.00 0.00 66.02 63.67 3jxf s SER 140 CO 0.00 -1.69 -0.02 -0.62 0.98 0.00 0.00 173.24 171.89 3jxf n GLU 141 N -3.28 0.56 -1.95 4.02 1.02 -1.26 -4.82 120.64 114.93 3jxf n GLU 141 Ca 0.07 0.46 -0.31 0.00 -0.02 0.00 0.00 57.16 57.36 3jxf n GLU 141 Cb 0.55 -1.65 0.01 0.00 -0.02 0.00 0.00 31.44 30.32 3jxf n GLU 141 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3jxf s HIS 142 N -2.42 3.44 0.09 -0.32 3.76 -1.26 -4.60 115.29 113.97 3jxf s HIS 142 Ca -0.31 1.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.99 3jxf s HIS 142 Cb 0.08 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 3jxf s HIS 142 CO 0.52 -0.75 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.07 3jxf s SER 143 N -3.72 1.03 -0.09 1.40 1.04 -1.20 -4.61 113.70 107.55 3jxf s SER 143 Ca 0.57 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3jxf s SER 143 Cb -0.12 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3jxf s SER 143 CO 0.47 -0.49 -0.17 -0.76 0.98 0.00 0.00 173.24 173.27 3jxf s LEU 144 N -3.03 1.80 -1.56 2.42 1.43 -0.77 -1.61 118.68 117.37 3jxf s LEU 144 Ca 0.11 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3jxf s LEU 144 Cb 0.06 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.19 3jxf s LEU 144 CO -0.05 0.06 0.15 -0.62 0.23 0.00 0.00 176.35 176.12 3jxf n GLU 145 N 3.89 -2.55 -0.64 1.70 -0.58 0.05 -0.43 120.64 122.08 3jxf n GLU 145 Ca -0.20 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 3jxf n GLU 145 Cb 0.52 -5.57 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 3jxf n GLU 145 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jxf n GLY 146 N -1.08 1.38 3.64 0.62 0.00 -1.26 -5.00 105.19 103.49 3jxf n GLY 146 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3jxf n GLY 146 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jxf s GLN 147 N -0.10 4.15 0.59 1.61 -1.52 0.43 -5.04 119.66 119.78 3jxf s GLN 147 Ca 0.00 0.52 -0.05 0.00 -1.95 0.00 0.00 55.36 53.88 3jxf s GLN 147 Cb 0.00 -3.61 0.01 0.00 -0.22 0.00 0.00 33.01 29.19 3jxf s GLN 147 CO 0.00 -0.30 0.89 0.15 -0.25 0.00 0.00 175.29 175.78 3jxf s LYS 148 N 2.12 2.84 0.18 2.91 1.02 -1.26 -1.86 119.74 125.69 3jxf s LYS 148 Ca 0.26 -0.10 0.08 0.00 0.02 0.00 0.00 55.97 56.24 3jxf s LYS 148 Cb -0.16 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3jxf s LYS 148 CO 0.09 -0.73 -0.17 -0.06 -0.92 0.00 0.00 175.35 173.56 3jxf s PHE 149 N -2.98 1.82 0.51 3.18 0.40 -1.26 -4.92 117.98 114.73 3jxf s PHE 149 Ca 0.54 -0.49 0.35 0.00 -0.60 0.00 0.00 56.93 56.74 3jxf s PHE 149 Cb -0.10 -0.88 1.89 0.00 0.51 0.00 0.00 43.02 44.43 3jxf s PHE 149 CO 0.44 0.36 2.22 -1.35 0.70 0.00 0.00 175.22 177.59 3jxf h PRO 150 N 3.04 0.00 -2.51 0.24 0.11 -1.65 0.23 132.00 131.46 3jxf h PRO 150 Ca -0.41 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 3jxf h PRO 150 Cb 1.21 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 3jxf h PRO 150 CO 0.54 0.03 -0.07 -1.17 -0.21 0.00 0.00 178.00 177.12 3jxf s LEU 151 N -6.84 0.07 -0.02 2.35 2.96 -1.26 -3.66 118.68 112.27 3jxf s LEU 151 Ca -0.04 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 3jxf s LEU 151 Cb 0.13 1.84 0.00 0.00 0.50 0.00 0.00 46.19 48.66 3jxf s LEU 151 CO 0.51 -0.37 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.38 3jxf s GLU 152 N -0.56 0.85 -0.06 1.98 2.12 -0.13 -1.77 118.70 121.14 3jxf s GLU 152 Ca -0.07 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.00 3jxf s GLU 152 Cb -0.03 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.52 3jxf s GLU 152 CO 0.04 0.12 -0.10 1.41 -0.54 0.00 0.00 175.26 176.19 3jxf s MET 153 N 0.13 2.62 -0.04 4.30 -2.45 -0.01 -1.10 119.30 122.75 3jxf s MET 153 Ca -0.02 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 53.82 3jxf s MET 153 Cb -0.07 -2.49 0.01 0.00 1.25 0.00 0.00 34.83 33.53 3jxf s MET 153 CO 0.00 0.64 -0.11 -0.65 1.05 0.00 0.00 175.02 175.96 3jxf s GLN 154 N -0.81 1.34 -0.19 4.11 -0.21 0.16 -0.48 119.66 123.57 3jxf s GLN 154 Ca 0.12 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 3jxf s GLN 154 Cb -0.11 -1.18 0.00 0.00 1.00 0.00 0.00 33.01 32.73 3jxf s GLN 154 CO 0.01 0.08 -0.11 0.42 -2.12 0.00 0.00 175.29 173.58 3jxf s ILE 155 N 0.42 2.87 -0.11 1.08 1.01 -0.15 -0.61 121.20 125.71 3jxf s ILE 155 Ca -0.08 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3jxf s ILE 155 Cb -0.12 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3jxf s ILE 155 CO 0.02 0.48 0.16 -0.31 0.00 0.00 0.00 174.94 175.29 3jxf s TYR 156 N 1.25 3.61 0.04 3.97 1.51 0.56 -1.31 117.35 126.98 3jxf s TYR 156 Ca 0.03 0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.65 3jxf s TYR 156 Cb -0.14 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 3jxf s TYR 156 CO -0.05 0.73 -0.05 0.00 -1.11 0.00 0.00 175.55 175.07 3jxf s PHE 158 N -1.79 1.02 -0.64 0.00 -0.12 -0.85 -1.47 117.98 114.13 3jxf s PHE 158 Ca -0.10 -1.26 -0.25 0.00 -0.05 0.00 0.00 56.93 55.27 3jxf s PHE 158 Cb -0.07 -0.41 0.05 0.00 -0.63 0.00 0.00 43.02 41.95 3jxf s PHE 158 CO -0.02 -0.72 1.07 0.34 -0.05 0.00 0.00 175.22 175.85 3jxf s ASP 159 N -3.14 6.25 0.58 1.98 2.15 -1.26 -0.25 116.67 122.98 3jxf s ASP 159 Ca 0.36 -0.52 0.35 0.00 0.43 0.00 0.00 52.55 53.17 3jxf s ASP 159 Cb 0.05 -2.48 1.73 0.00 -0.30 0.00 0.00 42.92 41.92 3jxf s ASP 159 CO 0.12 -1.50 2.14 0.00 -0.17 0.00 0.00 175.17 175.76 3jxf h ALA 160 N 9.62 1.09 -0.20 3.66 0.00 -1.83 -1.78 119.26 129.83 3jxf h ALA 160 Ca -0.27 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3jxf h ALA 160 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3jxf h ALA 160 CO 1.18 0.05 -0.14 -0.44 0.00 0.00 0.00 179.25 179.91 3jxf h ASP 161 N 0.00 0.46 0.39 0.00 3.32 -1.92 -3.29 116.42 115.38 3jxf h ASP 161 Ca -0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 57.03 56.43 3jxf h ASP 161 Cb 0.29 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3jxf h ASP 161 CO 0.01 0.80 -0.74 0.03 -1.72 0.00 0.00 179.24 177.62 3jxf h ARG 162 N 0.12 0.29 -5.02 3.56 2.47 -1.78 -3.47 114.38 110.56 3jxf h ARG 162 Ca 0.04 -0.25 -0.32 0.00 -1.26 0.00 0.00 59.98 58.19 3jxf h ARG 162 Cb 0.65 0.06 -0.16 0.00 -1.65 0.00 0.00 29.97 28.86 3jxf h ARG 162 CO 0.04 0.91 -0.72 -0.06 0.56 0.00 0.00 179.97 180.69 3jxf s PHE 163 N -3.53 1.17 -0.13 3.04 0.08 -0.75 -5.05 117.98 112.81 3jxf s PHE 163 Ca -0.04 -0.73 0.16 0.00 0.12 0.00 0.00 56.93 56.45 3jxf s PHE 163 Cb 0.11 -0.62 -0.09 0.00 -0.57 0.00 0.00 43.02 41.86 3jxf s PHE 163 CO 0.82 0.04 0.98 0.66 -0.10 0.00 0.00 175.22 177.63 3jxf h SER 164 N 3.11 0.00 -5.12 1.36 4.64 -1.88 -3.40 113.55 112.26 3jxf h SER 164 Ca -0.37 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 3jxf h SER 164 Cb 1.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.16 3jxf h SER 164 CO 0.59 0.55 -0.09 -0.94 -0.87 0.00 0.00 176.83 176.07 3jxf s SER 165 N -5.94 -0.17 0.21 4.97 1.04 -1.26 -5.04 113.70 107.51 3jxf s SER 165 Ca -0.01 -0.52 -0.10 0.00 0.48 0.00 0.00 55.95 55.80 3jxf s SER 165 Cb 0.08 0.51 0.18 0.00 0.10 0.00 0.00 66.02 66.89 3jxf s SER 165 CO 0.80 -0.94 1.87 0.15 0.98 0.00 0.00 173.24 176.09 3jxf h PHE 166 N 2.35 0.91 -0.75 5.02 3.57 -1.96 -1.36 116.94 124.72 3jxf h PHE 166 Ca -0.31 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.23 3jxf h PHE 166 Cb 1.25 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 3jxf h PHE 166 CO 0.36 0.55 0.49 0.93 -2.23 0.00 0.00 178.31 178.40 3jxf h GLU 167 N 0.96 0.95 -0.60 1.11 3.07 -1.99 0.43 114.58 118.52 3jxf h GLU 167 Ca 0.29 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 3jxf h GLU 167 Cb -0.05 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.62 3jxf h GLU 167 CO -0.09 0.63 0.28 0.93 -1.40 0.00 0.00 179.01 179.36 3jxf h GLU 168 N 0.98 0.88 -0.55 2.33 4.39 -1.86 -0.34 114.58 120.40 3jxf h GLU 168 Ca 0.28 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.89 3jxf h GLU 168 Cb -0.08 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 3jxf h GLU 168 CO -0.08 0.72 0.30 0.00 -1.16 0.00 0.00 179.01 178.80 3jxf h ALA 169 N 1.11 0.71 -0.17 3.43 0.00 -0.43 0.44 119.26 124.35 3jxf h ALA 169 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3jxf h ALA 169 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3jxf h ALA 169 CO -0.02 -0.02 0.08 0.28 0.00 0.00 0.00 179.25 179.56 3jxf h VAL 170 N 0.59 1.15 -0.57 0.00 2.07 -0.62 -0.66 116.25 118.20 3jxf h VAL 170 Ca 0.24 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3jxf h VAL 170 Cb 0.11 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3jxf h VAL 170 CO -0.14 0.14 0.38 0.50 0.02 0.00 0.00 177.57 178.47 3jxf h LYS 171 N 0.14 0.57 -0.38 1.57 3.64 -0.75 -1.85 116.57 119.51 3jxf h LYS 171 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3jxf h LYS 171 Cb 0.15 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3jxf h LYS 171 CO -0.01 0.37 0.00 0.41 -2.27 0.00 0.00 179.45 177.96 3jxf n GLY 172 N -1.48 1.15 3.66 5.01 0.00 0.12 -4.95 105.19 108.71 3jxf n GLY 172 Ca 0.08 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 3jxf n GLY 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxf n LYS 173 N 0.93 -6.13 -1.63 1.61 4.01 -0.60 -4.98 118.16 111.38 3jxf n LYS 173 Ca 0.17 0.70 -0.30 0.00 -0.51 0.00 0.00 58.31 58.38 3jxf n LYS 173 Cb 0.45 -5.64 0.22 0.00 -0.51 0.00 0.00 35.03 29.55 3jxf n LYS 173 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3jxf s GLY 174 N -3.19 1.73 0.06 0.72 0.00 -0.36 -4.98 107.32 101.30 3jxf s GLY 174 Ca 0.58 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 3jxf s GLY 174 CO 0.72 -0.35 1.14 0.54 0.00 0.00 0.00 173.10 175.15 3jxf s LYS 175 N -5.78 4.48 0.14 2.90 3.01 -1.26 -4.83 119.74 118.40 3jxf s LYS 175 Ca 0.74 1.69 0.10 0.00 -1.01 0.00 0.00 55.97 57.50 3jxf s LYS 175 Cb -0.05 -3.36 -0.04 0.00 -1.01 0.00 0.00 37.83 33.37 3jxf s LYS 175 CO 0.54 -0.18 -0.25 -0.51 0.51 0.00 0.00 175.35 175.47 3jxf s LEU 176 N 0.89 2.34 -0.01 3.17 1.43 -0.68 -4.00 118.68 121.82 3jxf s LEU 176 Ca 0.56 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3jxf s LEU 176 Cb -0.28 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.81 3jxf s LEU 176 CO 0.30 0.14 -0.09 -0.60 0.23 0.00 0.00 176.35 176.33 3jxf s ARG 177 N -2.19 0.77 0.02 1.70 3.52 -0.54 -1.28 118.95 120.96 3jxf s ARG 177 Ca 0.14 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 3jxf s ARG 177 Cb -0.09 -0.74 -0.01 0.00 -1.56 0.00 0.00 34.95 32.54 3jxf s ARG 177 CO 0.06 0.15 -0.06 0.00 -0.81 0.00 0.00 175.30 174.65 3jxf s ALA 178 N -0.05 0.44 -0.08 6.12 0.00 -0.83 -0.14 121.76 127.22 3jxf s ALA 178 Ca 0.01 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3jxf s ALA 178 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3jxf s ALA 178 CO -0.00 0.02 -0.14 -0.51 0.00 0.00 0.00 175.76 175.13 3jxf s LEU 179 N -0.91 2.74 -0.18 0.00 1.02 -0.42 -0.53 118.68 120.39 3jxf s LEU 179 Ca -0.05 -0.24 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 3jxf s LEU 179 Cb -0.06 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.55 3jxf s LEU 179 CO 0.00 0.27 -0.07 -0.55 0.02 0.00 0.00 176.35 176.02 3jxf s SER 180 N -0.28 4.30 -0.16 2.29 0.15 0.41 -0.98 113.70 119.43 3jxf s SER 180 Ca 0.02 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.35 3jxf s SER 180 Cb -0.13 -1.71 -0.00 0.00 -1.71 0.00 0.00 66.02 62.47 3jxf s SER 180 CO 0.03 0.07 -0.15 -0.63 1.20 0.00 0.00 173.24 173.76 3jxf s ILE 181 N 0.92 2.71 0.00 6.45 1.09 0.37 -2.46 121.20 130.29 3jxf s ILE 181 Ca -0.01 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 3jxf s ILE 181 Cb -0.15 -2.15 -0.04 0.00 -1.06 0.00 0.00 42.46 39.07 3jxf s ILE 181 CO 0.00 0.51 0.06 -0.76 -0.10 0.00 0.00 174.94 174.66 3jxf s LEU 182 N 0.82 3.79 0.05 2.97 1.43 -1.26 -0.83 118.68 125.65 3jxf s LEU 182 Ca -0.05 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3jxf s LEU 182 Cb -0.15 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 3jxf s LEU 182 CO -0.00 0.26 -0.22 -0.36 0.23 0.00 0.00 176.35 176.26 3jxf s PHE 183 N -1.18 2.43 0.16 0.29 0.40 -0.73 -1.10 117.98 118.25 3jxf s PHE 183 Ca 0.23 -0.34 0.10 0.00 -0.60 0.00 0.00 56.93 56.32 3jxf s PHE 183 Cb -0.12 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 3jxf s PHE 183 CO 0.14 0.20 -0.23 -1.21 0.70 0.00 0.00 175.22 174.82 3jxf s GLU 184 N -1.40 1.37 -0.17 0.44 2.02 0.10 -3.86 118.70 117.21 3jxf s GLU 184 Ca 0.13 -1.39 -0.24 0.00 0.02 0.00 0.00 54.97 53.49 3jxf s GLU 184 Cb -0.10 -1.69 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 3jxf s GLU 184 CO 0.04 0.38 0.79 0.08 0.02 0.00 0.00 175.26 176.56 3jxf s VAL 185 N -1.48 4.91 0.13 2.63 1.01 -1.26 -1.36 120.40 124.98 3jxf s VAL 185 Ca 0.15 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3jxf s VAL 185 Cb -0.08 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3jxf s VAL 185 CO 0.07 0.05 0.10 0.61 0.00 0.00 0.00 175.10 175.93 3jxf n GLY 186 N 3.51 2.94 0.07 4.51 0.00 0.14 -4.89 105.19 111.47 3jxf n GLY 186 Ca 0.03 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 3jxf n GLY 186 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jxf h THR 187 N 0.52 1.59 -2.28 2.61 2.02 -1.97 -3.38 112.91 112.03 3jxf h THR 187 Ca -0.08 -3.30 -0.57 0.00 0.77 0.00 0.00 66.41 63.22 3jxf h THR 187 Cb 0.31 2.82 -0.11 0.00 -1.74 0.00 0.00 68.15 69.43 3jxf h THR 187 CO 0.13 0.92 -0.68 -1.83 0.37 0.00 0.00 175.52 174.43 3jxf s GLU 188 N -2.69 2.14 -0.02 6.66 -1.05 -1.26 -4.88 118.70 117.60 3jxf s GLU 188 Ca -0.00 -1.48 -0.30 0.00 -0.15 0.00 0.00 54.97 53.04 3jxf s GLU 188 Cb 0.09 -2.08 -0.06 0.00 -0.44 0.00 0.00 34.13 31.65 3jxf s GLU 188 CO 0.83 0.36 1.54 -2.00 0.95 0.00 0.00 175.26 176.95 3jxf s GLU 189 N -3.56 4.22 -0.61 -4.83 2.12 -1.26 -3.35 118.70 111.43 3jxf s GLU 189 Ca 0.30 2.11 -0.28 0.00 0.36 0.00 0.00 54.97 57.47 3jxf s GLU 189 Cb -0.06 -3.75 0.03 0.00 0.26 0.00 0.00 34.13 30.60 3jxf s GLU 189 CO 0.18 -0.73 1.20 1.21 -0.54 0.00 0.00 175.26 176.59 3jxf s ASN 190 N 2.57 6.40 0.47 -1.70 3.84 -1.26 -4.88 114.94 120.37 3jxf s ASN 190 Ca 0.69 0.00 0.25 0.00 0.21 0.00 0.00 52.86 54.01 3jxf s ASN 190 Cb -0.33 -2.55 1.15 0.00 -0.55 0.00 0.00 41.25 38.96 3jxf s ASN 190 CO 0.28 -1.54 1.94 -0.07 -2.79 0.00 0.00 177.10 174.92 3jxf h LEU 191 N 12.09 0.00 -2.61 3.21 3.38 -1.95 -2.07 115.31 127.36 3jxf h LEU 191 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3jxf h LEU 191 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3jxf h LEU 191 CO 1.20 0.20 -0.01 0.44 0.09 0.00 0.00 178.44 180.35 3jxf h ASP 192 N 0.00 0.00 -0.10 -0.43 3.32 -1.90 -2.62 116.42 114.69 3jxf h ASP 192 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jxf h ASP 192 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3jxf h ASP 192 CO 0.03 0.01 0.00 0.49 -1.72 0.00 0.00 179.24 178.05 3jxf n PHE 193 N -3.35 0.10 -0.22 4.55 3.72 -0.78 -4.63 117.46 116.86 3jxf n PHE 193 Ca -0.03 -0.06 -0.01 0.00 -0.05 0.00 0.00 57.45 57.31 3jxf n PHE 193 Cb 0.11 -0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.76 3jxf n PHE 193 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3jxf h LYS 194 N 4.17 0.56 -0.74 -1.08 3.64 -1.53 0.89 116.57 122.48 3jxf h LYS 194 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3jxf h LYS 194 Cb 0.90 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3jxf h LYS 194 CO 0.00 0.37 0.28 0.00 -2.27 0.00 0.00 179.45 177.82 3jxf h ALA 195 N 1.38 0.97 -0.08 5.00 0.00 -1.82 -1.35 119.26 123.35 3jxf h ALA 195 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3jxf h ALA 195 Cb 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3jxf h ALA 195 CO -0.23 0.61 0.01 0.82 0.00 0.00 0.00 179.25 180.46 3jxf h ILE 196 N 1.08 1.23 -0.76 0.00 1.08 -1.50 -1.80 117.51 116.85 3jxf h ILE 196 Ca 0.25 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3jxf h ILE 196 Cb 0.24 1.56 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 3jxf h ILE 196 CO -0.02 0.20 0.50 0.40 -0.69 0.00 0.00 178.15 178.54 3jxf h ILE 197 N -0.12 1.17 -1.00 -0.67 1.08 -0.80 -0.62 117.51 116.55 3jxf h ILE 197 Ca 0.02 -0.34 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 3jxf h ILE 197 Cb 0.31 0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.08 3jxf h ILE 197 CO 0.00 0.18 0.66 0.44 -0.69 0.00 0.00 178.15 178.75 3jxf h ASP 198 N 1.00 1.12 -0.48 1.72 3.32 -1.20 -2.16 116.42 119.74 3jxf h ASP 198 Ca 0.29 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3jxf h ASP 198 Cb -0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3jxf h ASP 198 CO -0.08 0.78 0.12 1.23 -1.72 0.00 0.00 179.24 179.57 3jxf h GLY 199 N 1.30 0.83 1.01 2.75 0.00 -0.33 -2.01 103.07 106.63 3jxf h GLY 199 Ca 0.39 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.20 3jxf h GLY 199 CO -0.11 0.49 0.57 -2.08 0.00 0.00 0.00 176.54 175.41 3jxf h VAL 200 N 0.66 1.23 -0.86 4.60 2.07 -0.89 -0.14 116.25 122.92 3jxf h VAL 200 Ca 0.15 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.33 3jxf h VAL 200 Cb 0.33 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 3jxf h VAL 200 CO 0.00 0.22 0.56 -0.33 0.02 0.00 0.00 177.57 178.04 3jxf h GLU 201 N 1.19 0.83 0.00 1.57 5.08 -1.20 -2.63 114.58 119.42 3jxf h GLU 201 Ca 0.32 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3jxf h GLU 201 Cb -0.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 28.94 3jxf h GLU 201 CO -0.07 0.55 0.00 0.77 -1.00 0.00 0.00 179.01 179.26 3jxf h SER 202 N 0.86 0.00 -0.44 1.42 0.02 -0.27 -3.24 113.55 111.89 3jxf h SER 202 Ca 0.39 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.02 3jxf h SER 202 Cb 0.37 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.65 3jxf h SER 202 CO -0.16 0.00 -0.70 1.33 -1.14 0.00 0.00 176.83 176.16 3jxf n VAL 203 N -2.63 2.36 -0.04 2.27 0.24 -0.97 -4.72 118.33 114.85 3jxf n VAL 203 Ca 0.03 -3.79 0.05 0.00 -2.04 0.00 0.00 64.34 58.60 3jxf n VAL 203 Cb 0.36 -0.73 0.42 0.00 -1.47 0.00 0.00 33.84 32.42 3jxf n VAL 203 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3jxf h SER 204 N 1.70 0.49 -3.34 -1.34 0.02 -1.58 -3.41 113.55 106.09 3jxf h SER 204 Ca 0.21 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.63 3jxf h SER 204 Cb 1.32 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.76 3jxf h SER 204 CO 0.44 0.34 0.57 -0.60 -1.14 0.00 0.00 176.83 176.44 3jxf s ARG 205 N -5.51 4.46 -0.01 3.45 3.52 -1.26 -0.25 118.95 123.35 3jxf s ARG 205 Ca -0.08 1.84 -0.35 0.00 -0.13 0.00 0.00 55.73 57.01 3jxf s ARG 205 Cb 0.18 -3.28 -0.13 0.00 -1.56 0.00 0.00 34.95 30.15 3jxf s ARG 205 CO 0.74 -0.17 1.72 0.34 -0.81 0.00 0.00 175.30 177.12 3jxf n PHE 206 N 3.15 2.21 -0.20 5.12 -0.00 -1.26 -1.40 117.46 125.08 3jxf n PHE 206 Ca 0.07 0.20 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 3jxf n PHE 206 Cb 0.45 -2.57 0.00 0.00 -0.00 0.00 0.00 39.48 37.36 3jxf n PHE 206 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3jxf n GLY 207 N 3.89 1.30 3.77 7.13 0.00 -0.28 -5.02 105.19 115.99 3jxf n GLY 207 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3jxf n GLY 207 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jxf s LYS 208 N -0.46 3.94 0.02 1.61 2.47 -0.50 -4.66 119.74 122.17 3jxf s LYS 208 Ca 0.00 1.75 0.08 0.00 -1.56 0.00 0.00 55.97 56.23 3jxf s LYS 208 Cb 0.00 -2.53 -0.02 0.00 -1.46 0.00 0.00 37.83 33.82 3jxf s LYS 208 CO 0.00 -0.39 -0.23 -0.65 0.16 0.00 0.00 175.35 174.24 3jxf s GLN 209 N -2.52 1.62 -0.04 4.03 -0.21 -1.26 -1.51 119.66 119.77 3jxf s GLN 209 Ca 0.60 -0.93 -0.08 0.00 0.02 0.00 0.00 55.36 54.97 3jxf s GLN 209 Cb -0.28 -1.69 0.01 0.00 1.00 0.00 0.00 33.01 32.05 3jxf s GLN 209 CO 0.35 0.45 0.20 0.00 -2.12 0.00 0.00 175.29 174.16 3jxf s ALA 210 N -0.70 -0.49 0.30 6.09 0.00 -0.60 -4.99 121.76 121.37 3jxf s ALA 210 Ca 0.09 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 3jxf s ALA 210 Cb -0.09 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 3jxf s ALA 210 CO 0.01 -0.16 1.16 0.00 0.00 0.00 0.00 175.76 176.77 3jxf s ALA 211 N -0.61 3.43 0.04 0.00 0.00 -1.26 -1.15 121.76 122.20 3jxf s ALA 211 Ca -0.07 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 3jxf s ALA 211 Cb -0.04 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3jxf s ALA 211 CO 0.01 -0.29 0.57 -0.51 0.00 0.00 0.00 175.76 175.53 3jxf s LEU 212 N -1.56 4.48 0.83 0.00 1.43 -0.04 -4.88 118.68 118.93 3jxf s LEU 212 Ca 0.46 1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 54.62 3jxf s LEU 212 Cb -0.34 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.06 3jxf s LEU 212 CO 0.44 0.21 0.96 0.47 0.23 0.00 0.00 176.35 178.66 3jxf n ASP 213 N 2.14 0.11 -4.58 2.29 8.00 -1.26 -4.82 116.55 118.43 3jxf n ASP 213 Ca -0.09 0.53 -0.47 0.00 0.71 0.00 0.00 54.79 55.47 3jxf n ASP 213 Cb 0.51 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.17 3jxf n ASP 213 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3jxf n PRO 214 N -2.69 1.25 -3.98 -0.24 -0.02 -1.26 -4.88 135.00 123.18 3jxf n PRO 214 Ca 0.12 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 3jxf n PRO 214 Cb 0.51 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 3jxf n PRO 214 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3jxf s PHE 215 N -0.57 0.43 -0.26 6.00 -0.12 -1.26 -4.78 117.98 117.43 3jxf s PHE 215 Ca 0.67 -0.79 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 3jxf s PHE 215 Cb -0.78 -0.05 0.04 0.00 -0.63 0.00 0.00 43.02 41.60 3jxf s PHE 215 CO 0.55 -0.75 -0.08 0.42 -0.05 0.00 0.00 175.22 175.31 3jxf s ILE 216 N -3.99 2.56 0.30 -4.49 1.01 -1.26 -1.39 121.20 113.94 3jxf s ILE 216 Ca 0.19 -1.32 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 3jxf s ILE 216 Cb 0.03 -2.39 0.26 0.00 0.01 0.00 0.00 42.46 40.37 3jxf s ILE 216 CO 0.02 0.08 1.96 0.25 0.00 0.00 0.00 174.94 177.25 3jxf h LEU 217 N 7.91 0.94 -1.47 2.97 5.85 -1.75 -1.04 115.31 128.73 3jxf h LEU 217 Ca -0.27 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3jxf h LEU 217 Cb 1.08 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3jxf h LEU 217 CO 0.53 0.67 -0.05 0.25 -0.34 0.00 0.00 178.44 179.50 3jxf h LEU 218 N 1.10 0.27 0.00 2.25 5.85 -1.75 -2.15 115.31 120.88 3jxf h LEU 218 Ca 0.31 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3jxf h LEU 218 Cb -0.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3jxf h LEU 218 CO -0.08 0.36 0.00 0.59 -0.34 0.00 0.00 178.44 178.97 3jxf n ASN 219 N -4.33 0.00 0.03 1.25 5.03 -0.40 -2.23 115.26 114.61 3jxf n ASN 219 Ca -0.00 0.49 0.13 0.00 0.87 0.00 0.00 54.58 56.07 3jxf n ASN 219 Cb 0.22 -0.49 0.43 0.00 -1.02 0.00 0.00 39.78 38.92 3jxf n ASN 219 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3jxf n LEU 220 N -1.49 0.37 -4.91 3.41 4.32 -0.81 -4.89 117.00 113.00 3jxf n LEU 220 Ca 0.04 0.37 -0.27 0.00 -0.02 0.00 0.00 56.01 56.13 3jxf n LEU 220 Cb 0.21 -0.36 0.02 0.00 -1.62 0.00 0.00 43.42 41.66 3jxf n LEU 220 CO 0.17 -0.02 0.50 -0.76 -1.22 0.00 0.00 177.39 176.06 3jxf s LEU 221 N -3.47 3.40 0.83 2.23 1.02 -0.95 -5.00 118.68 116.75 3jxf s LEU 221 Ca 0.12 0.83 -0.13 0.00 0.02 0.00 0.00 54.13 54.97 3jxf s LEU 221 Cb 0.17 -3.72 0.10 0.00 0.02 0.00 0.00 46.19 42.75 3jxf s LEU 221 CO 0.61 -0.85 1.18 -2.65 0.02 0.00 0.00 176.35 174.66 3jxf n PRO 222 N -2.45 0.04 -0.30 1.29 -0.02 -1.26 -4.89 135.00 127.40 3jxf n PRO 222 Ca 0.03 0.09 0.07 0.00 -2.02 0.00 0.00 63.50 61.67 3jxf n PRO 222 Cb 0.56 -2.42 0.18 0.00 -0.02 0.00 0.00 33.50 31.80 3jxf n PRO 222 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3jxf h ASN 223 N -1.13 -0.56 -4.00 2.55 -1.24 -1.92 -3.39 115.58 105.89 3jxf h ASN 223 Ca -0.46 0.24 -0.50 0.00 0.71 0.00 0.00 56.30 56.30 3jxf h ASN 223 Cb 1.29 0.46 -0.30 0.00 0.73 0.00 0.00 38.32 40.50 3jxf h ASN 223 CO 0.45 -0.27 -0.82 -0.94 -1.29 0.00 0.00 177.43 174.56 3jxf s SER 224 N -5.17 1.75 0.00 1.15 1.04 -1.26 -5.04 113.70 106.17 3jxf s SER 224 Ca -0.14 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.08 3jxf s SER 224 Cb 0.25 -0.37 0.14 0.00 0.10 0.00 0.00 66.02 66.14 3jxf s SER 224 CO 0.76 0.14 1.00 0.35 0.98 0.00 0.00 173.24 176.48 3jxf n THR 225 N 3.02 0.64 0.27 2.02 -2.24 -1.26 -4.56 114.28 112.17 3jxf n THR 225 Ca -0.17 -0.82 0.14 0.00 -2.27 0.00 0.00 64.05 60.93 3jxf n THR 225 Cb 0.54 0.73 0.41 0.00 -2.10 0.00 0.00 70.33 69.91 3jxf n THR 225 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3jxf h ASP 226 N 1.31 0.00 -3.30 3.42 3.04 -1.97 -3.41 116.42 115.51 3jxf h ASP 226 Ca 0.00 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 53.10 3jxf h ASP 226 Cb 0.52 0.00 -0.19 0.00 -1.04 0.00 0.00 39.33 38.62 3jxf h ASP 226 CO 0.00 0.00 -0.03 -0.54 -2.04 0.00 0.00 179.24 176.63 3jxf s LYS 227 N -3.41 3.10 0.16 4.15 -0.14 -1.26 -4.66 119.74 117.68 3jxf s LYS 227 Ca 0.05 -0.93 -0.12 0.00 -1.36 0.00 0.00 55.97 53.61 3jxf s LYS 227 Cb 0.07 -4.08 0.01 0.00 -1.68 0.00 0.00 37.83 32.14 3jxf s LYS 227 CO 0.60 -1.14 0.34 1.52 -0.76 0.00 0.00 175.35 175.91 3jxf s TYR 228 N 2.43 0.18 0.20 3.18 1.13 -1.26 -1.96 117.35 121.25 3jxf s TYR 228 Ca 0.13 -0.54 0.09 0.00 -1.41 0.00 0.00 57.07 55.33 3jxf s TYR 228 Cb -0.20 0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 3jxf s TYR 228 CO 0.12 -0.74 -0.04 0.71 -2.51 0.00 0.00 175.55 173.09 3jxf s TYR 229 N -3.91 2.72 -0.05 -3.49 2.02 0.10 -1.16 117.35 113.57 3jxf s TYR 229 Ca 0.12 -0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 56.58 3jxf s TYR 229 Cb 0.02 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3jxf s TYR 229 CO -0.04 0.54 0.14 -1.50 -1.57 0.00 0.00 175.55 173.13 3jxf s ILE 230 N -1.89 -0.00 0.18 2.71 2.07 -0.03 -1.00 121.20 123.24 3jxf s ILE 230 Ca 0.28 0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.40 3jxf s ILE 230 Cb -0.08 -0.20 0.01 0.00 0.13 0.00 0.00 42.46 42.32 3jxf s ILE 230 CO 0.18 0.01 0.41 -0.72 -1.91 0.00 0.00 174.94 172.91 3jxf s TYR 231 N 0.16 0.13 -0.23 3.50 1.13 -0.90 -1.03 117.35 120.11 3jxf s TYR 231 Ca -0.01 -0.49 -0.22 0.00 -1.41 0.00 0.00 57.07 54.95 3jxf s TYR 231 Cb -0.02 0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 41.01 3jxf s TYR 231 CO -0.00 -0.83 0.71 -0.80 -2.51 0.00 0.00 175.55 172.11 3jxf s ASN 232 N -2.92 6.70 0.00 -0.18 -0.87 -1.26 -1.22 114.94 115.19 3jxf s ASN 232 Ca 0.13 0.87 0.00 0.00 -1.57 0.00 0.00 52.86 52.29 3jxf s ASN 232 Cb 0.01 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 3jxf s ASN 232 CO -0.01 -0.40 0.00 0.61 -2.57 0.00 0.00 177.10 174.73 3jxf n GLY 233 N 3.91 4.78 3.60 0.66 0.00 0.13 -4.82 105.19 113.46 3jxf n GLY 233 Ca 0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3jxf n GLY 233 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jxf s SER 234 N 1.42 0.15 0.53 1.61 1.04 -1.22 -1.90 113.70 115.33 3jxf s SER 234 Ca 0.00 -1.07 -0.21 0.00 0.48 0.00 0.00 55.95 55.14 3jxf s SER 234 Cb 0.00 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 3jxf s SER 234 CO 0.00 -1.25 1.28 -0.76 0.98 0.00 0.00 173.24 173.49 3jxf s LEU 235 N -3.07 3.86 -0.04 2.42 1.43 -0.59 -4.39 118.68 118.30 3jxf s LEU 235 Ca 0.23 2.57 0.16 0.00 -1.03 0.00 0.00 54.13 56.06 3jxf s LEU 235 Cb -0.01 -4.33 0.53 0.00 0.03 0.00 0.00 46.19 42.40 3jxf s LEU 235 CO 0.12 -1.41 1.42 0.35 0.23 0.00 0.00 176.35 177.06 3jxf n THR 236 N -1.00 1.05 -3.77 5.49 -2.24 -1.26 -4.46 114.28 108.08 3jxf n THR 236 Ca 0.10 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.96 3jxf n THR 236 Cb 0.47 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 3jxf n THR 236 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3jxf s SER 237 N -0.91 -0.05 0.35 3.42 1.04 -1.26 -4.59 113.70 111.70 3jxf s SER 237 Ca 0.39 -0.54 -0.26 0.00 0.48 0.00 0.00 55.95 56.02 3jxf s SER 237 Cb 0.22 0.42 -0.13 0.00 0.10 0.00 0.00 66.02 66.63 3jxf s SER 237 CO 0.23 -0.82 0.86 -2.65 0.98 0.00 0.00 173.24 171.84 3jxf n PRO 238 N -0.16 1.06 0.00 4.02 -0.02 -1.26 -0.82 135.00 137.81 3jxf n PRO 238 Ca -0.14 0.38 0.02 0.00 -2.02 0.00 0.00 63.50 61.74 3jxf n PRO 238 Cb 0.63 -1.75 0.13 0.00 -0.02 0.00 0.00 33.50 32.49 3jxf n PRO 238 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jxf n PRO 239 N 0.56 1.00 -2.01 0.52 -0.05 -1.26 -4.97 135.00 128.79 3jxf n PRO 239 Ca 0.11 0.00 -0.15 0.00 -0.05 0.00 0.00 63.50 63.41 3jxf n PRO 239 Cb 0.35 -1.07 -0.03 0.00 -0.05 0.00 0.00 33.50 32.71 3jxf n PRO 239 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3jxf n THR 241 N -3.54 0.00 0.02 0.00 -1.04 -1.26 -4.31 114.28 104.15 3jxf n THR 241 Ca -0.17 -0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.82 3jxf n THR 241 Cb 0.59 -0.63 0.16 0.00 -1.82 0.00 0.00 70.33 68.62 3jxf n THR 241 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3jxf n ASP 242 N 2.30 3.33 -1.20 8.00 9.92 -1.26 -1.54 116.55 136.10 3jxf n ASP 242 Ca 0.19 -2.57 0.03 0.00 -0.53 0.00 0.00 54.79 51.91 3jxf n ASP 242 Cb 0.16 -0.62 0.11 0.00 -0.64 0.00 0.00 41.12 40.14 3jxf n ASP 242 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3jxf n THR 243 N 0.09 1.22 -3.80 -3.53 -2.24 -1.20 -4.78 114.28 100.05 3jxf n THR 243 Ca 0.19 -2.32 -0.36 0.00 -2.27 0.00 0.00 64.05 59.29 3jxf n THR 243 Cb 0.84 0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 69.28 3jxf n THR 243 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jxf s VAL 244 N -1.96 4.64 -0.30 2.28 1.01 -0.80 -1.69 120.40 123.58 3jxf s VAL 244 Ca 0.36 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 3jxf s VAL 244 Cb 0.38 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3jxf s VAL 244 CO -0.10 0.35 0.82 -1.81 0.00 0.00 0.00 175.10 174.36 3jxf s ASP 245 N 1.31 6.71 -0.07 3.32 1.01 -0.40 0.22 116.67 128.77 3jxf s ASP 245 Ca 0.05 0.74 -0.15 0.00 0.71 0.00 0.00 52.55 53.90 3jxf s ASP 245 Cb -0.15 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3jxf s ASP 245 CO 0.04 -0.62 0.39 0.26 0.21 0.00 0.00 175.17 175.45 3jxf s TRP 246 N 3.00 3.61 -0.22 4.23 0.52 -0.36 -1.96 118.94 127.76 3jxf s TRP 246 Ca 0.34 0.86 -0.04 0.00 0.02 0.00 0.00 56.10 57.28 3jxf s TRP 246 Cb -0.14 -2.36 -0.01 0.00 -1.15 0.00 0.00 33.47 29.81 3jxf s TRP 246 CO 0.12 0.43 -0.04 0.42 0.02 0.00 0.00 176.95 177.90 3jxf s ILE 247 N -0.27 3.34 -0.22 2.03 1.01 0.31 -2.12 121.20 125.28 3jxf s ILE 247 Ca 0.22 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3jxf s ILE 247 Cb -0.15 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.80 3jxf s ILE 247 CO 0.10 0.41 -0.09 -0.69 0.00 0.00 0.00 174.94 174.67 3jxf s VAL 248 N 1.47 2.87 0.24 2.92 1.01 -0.17 -0.45 120.40 128.29 3jxf s VAL 248 Ca 0.05 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 3jxf s VAL 248 Cb -0.14 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 3jxf s VAL 248 CO -0.03 0.38 1.03 -0.36 0.00 0.00 0.00 175.10 176.12 3jxf s PHE 249 N 1.38 3.74 0.07 5.22 0.40 -1.03 -0.72 117.98 127.05 3jxf s PHE 249 Ca 0.04 1.77 -0.18 0.00 -0.60 0.00 0.00 56.93 57.96 3jxf s PHE 249 Cb -0.15 -3.16 -0.12 0.00 0.51 0.00 0.00 43.02 40.11 3jxf s PHE 249 CO -0.06 -0.15 1.38 -0.22 0.70 0.00 0.00 175.22 176.87 3jxf h LYS 250 N 4.24 0.52 -6.89 0.44 3.64 -1.75 -3.45 116.57 113.31 3jxf h LYS 250 Ca -0.45 -0.27 -0.48 0.00 -1.27 0.00 0.00 60.65 58.17 3jxf h LYS 250 Cb 1.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3jxf h LYS 250 CO 0.68 0.85 0.40 -0.51 -2.27 0.00 0.00 179.45 178.60 3jxf s ASP 251 N -6.31 7.10 0.34 4.20 1.01 -1.26 -5.05 116.67 116.70 3jxf s ASP 251 Ca -0.13 2.01 0.02 0.00 0.71 0.00 0.00 52.55 55.16 3jxf s ASP 251 Cb 0.07 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 3jxf s ASP 251 CO 0.79 -0.24 0.52 0.42 0.21 0.00 0.00 175.17 176.86 3jxf s THR 252 N -1.52 4.81 -0.12 -1.27 -4.23 -1.26 -4.67 115.64 107.38 3jxf s THR 252 Ca 0.52 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 3jxf s THR 252 Cb -0.23 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 3jxf s THR 252 CO 0.29 -0.42 0.02 -0.69 -0.54 0.00 0.00 174.62 173.28 3jxf s VAL 253 N -2.27 4.41 -0.12 2.29 1.01 -0.26 -4.68 120.40 120.78 3jxf s VAL 253 Ca 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 3jxf s VAL 253 Cb -0.10 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3jxf s VAL 253 CO 0.34 0.56 0.02 -0.94 0.00 0.00 0.00 175.10 175.08 3jxf s SER 254 N -0.40 5.38 0.29 3.32 1.04 -1.26 -0.72 113.70 121.35 3jxf s SER 254 Ca 0.08 0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.70 3jxf s SER 254 Cb -0.12 -1.68 -0.06 0.00 0.10 0.00 0.00 66.02 64.26 3jxf s SER 254 CO 0.02 0.31 -0.03 0.27 0.98 0.00 0.00 173.24 174.79 3jxf s ILE 255 N -0.47 1.56 0.72 -1.02 -4.36 -0.47 -4.60 121.20 112.56 3jxf s ILE 255 Ca 0.09 -2.09 -0.08 0.00 -0.26 0.00 0.00 60.65 58.31 3jxf s ILE 255 Cb -0.12 -2.54 0.06 0.00 1.25 0.00 0.00 42.46 41.11 3jxf s ILE 255 CO 0.02 -0.23 1.04 -0.94 0.24 0.00 0.00 174.94 175.07 3jxf s SER 256 N -3.46 4.84 0.32 4.36 1.04 -1.21 0.27 113.70 119.85 3jxf s SER 256 Ca 0.31 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.34 3jxf s SER 256 Cb 0.05 -1.22 0.55 0.00 0.10 0.00 0.00 66.02 65.50 3jxf s SER 256 CO 0.13 -1.60 1.84 -0.08 0.98 0.00 0.00 173.24 174.50 3jxf h GLU 257 N -0.66 0.54 0.00 4.02 4.81 -1.90 -2.26 114.58 119.13 3jxf h GLU 257 Ca -0.45 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.51 3jxf h GLU 257 Cb 1.31 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 3jxf h GLU 257 CO 0.62 0.60 -0.65 0.66 -0.73 0.00 0.00 179.01 179.50 3jxf h SER 258 N 0.51 0.00 -0.18 1.04 4.64 -1.95 -2.13 113.55 115.48 3jxf h SER 258 Ca 0.10 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3jxf h SER 258 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3jxf h SER 258 CO 0.02 0.65 -0.24 1.56 -0.87 0.00 0.00 176.83 177.95 3jxf h GLN 259 N 0.00 0.47 -0.28 4.77 4.20 -1.86 -3.16 115.11 119.25 3jxf h GLN 259 Ca -0.01 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3jxf h GLN 259 Cb 1.23 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 3jxf h GLN 259 CO 0.08 0.86 0.13 1.25 -0.67 0.00 0.00 178.83 180.49 3jxf h LEU 260 N 0.12 0.34 -1.53 1.46 5.85 -1.31 -3.03 115.31 117.21 3jxf h LEU 260 Ca 0.02 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3jxf h LEU 260 Cb 0.81 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3jxf h LEU 260 CO 0.06 0.31 0.34 0.00 -0.34 0.00 0.00 178.44 178.80 3jxf h ALA 261 N 1.75 1.69 -0.11 1.25 0.00 -1.34 -2.79 119.26 119.71 3jxf h ALA 261 Ca 0.10 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3jxf h ALA 261 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3jxf h ALA 261 CO -0.01 0.27 0.10 -0.39 0.00 0.00 0.00 179.25 179.21 3jxf h VAL 262 N 0.64 0.72 -0.28 0.00 -1.51 -1.62 -2.26 116.25 111.93 3jxf h VAL 262 Ca 0.20 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.58 3jxf h VAL 262 Cb 0.01 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 3jxf h VAL 262 CO -0.05 0.00 -0.21 -0.26 -1.23 0.00 0.00 177.57 175.83 3jxf h PHE 263 N 0.00 0.58 0.00 5.19 -1.00 -1.70 -2.57 116.94 117.44 3jxf h PHE 263 Ca 0.05 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.72 3jxf h PHE 263 Cb 0.24 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.66 3jxf h PHE 263 CO 0.00 0.70 0.00 0.00 -1.61 0.00 0.00 178.31 177.40 3jxf n GLU 265 N -0.89 1.14 -2.56 0.00 -0.58 -0.97 -4.66 120.64 112.12 3jxf n GLU 265 Ca 0.19 -0.77 -0.40 0.00 -0.42 0.00 0.00 57.16 55.76 3jxf n GLU 265 Cb 0.09 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.42 3jxf n GLU 265 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3jxf s VAL 266 N -2.39 3.67 0.10 2.62 1.01 -0.94 -4.78 120.40 119.69 3jxf s VAL 266 Ca 0.25 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.94 3jxf s VAL 266 Cb 0.19 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3jxf s VAL 266 CO 0.49 0.39 0.08 -0.76 0.00 0.00 0.00 175.10 175.30 3jxf s LEU 267 N -1.40 3.75 0.29 3.92 2.01 0.65 0.02 118.68 127.91 3jxf s LEU 267 Ca 0.44 -0.07 -0.04 0.00 0.01 0.00 0.00 54.13 54.47 3jxf s LEU 267 Cb -0.30 -2.42 -0.01 0.00 0.01 0.00 0.00 46.19 43.47 3jxf s LEU 267 CO 0.38 0.15 0.38 0.28 1.01 0.00 0.00 176.35 178.54 3jxf s THR 268 N -1.48 0.00 -0.03 5.49 -1.32 0.85 -4.08 115.64 115.09 3jxf s THR 268 Ca 0.29 -1.69 0.07 0.00 -1.21 0.00 0.00 61.69 59.15 3jxf s THR 268 Cb -0.12 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 3jxf s THR 268 CO 0.22 0.00 -0.22 -0.04 -2.21 0.00 0.00 174.62 172.37 3jxf s MET 269 N -3.59 2.23 -0.02 7.08 -1.94 -1.26 -0.82 119.30 120.98 3jxf s MET 269 Ca 0.32 -0.86 -0.04 0.00 -1.71 0.00 0.00 55.69 53.40 3jxf s MET 269 Cb 0.02 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.71 3jxf s MET 269 CO 0.16 0.58 0.09 1.14 -0.01 0.00 0.00 175.02 176.99 3jxf s GLN 270 N -0.67 0.24 -0.29 2.03 -2.07 0.08 -4.97 119.66 114.02 3jxf s GLN 270 Ca 0.11 -0.10 -0.25 0.00 -1.82 0.00 0.00 55.36 53.30 3jxf s GLN 270 Cb -0.10 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 31.92 3jxf s GLN 270 CO -0.00 -0.05 0.85 -1.14 -1.32 0.00 0.00 175.29 173.63 3jxf s GLN 271 N -0.53 4.04 -0.35 9.60 2.00 -1.26 -1.37 119.66 131.79 3jxf s GLN 271 Ca -0.06 0.76 0.02 0.00 -2.00 0.00 0.00 55.36 54.09 3jxf s GLN 271 Cb -0.04 -3.71 0.10 0.00 0.80 0.00 0.00 33.01 30.17 3jxf s GLN 271 CO 0.00 -0.67 0.08 0.45 -0.50 0.00 0.00 175.29 174.65 3jxf s SER 272 N 1.55 4.88 1.25 6.67 0.15 0.60 -4.47 113.70 124.32 3jxf s SER 272 Ca 0.35 -2.10 0.00 0.00 0.70 0.00 0.00 55.95 54.91 3jxf s SER 272 Cb -0.14 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3jxf s SER 272 CO 0.11 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3jxf n GLY 273 N 4.34 2.63 0.94 9.45 0.00 -1.26 -2.39 105.19 118.90 3jxf n GLY 273 Ca 0.02 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.70 3jxf n GLY 273 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3jxf n TYR 274 N 13.55 0.74 -4.66 1.61 4.01 -1.26 -4.88 117.16 126.27 3jxf n TYR 274 Ca 0.00 -0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.24 3jxf n TYR 274 Cb 0.00 -0.21 -0.15 0.00 -0.31 0.00 0.00 39.34 38.67 3jxf n TYR 274 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3jxf s VAL 275 N -1.69 1.13 -0.27 -0.72 1.01 -1.01 -5.12 120.40 113.75 3jxf s VAL 275 Ca 0.22 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3jxf s VAL 275 Cb 0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 3jxf s VAL 275 CO 0.08 0.33 0.17 -0.32 0.00 0.00 0.00 175.10 175.35 3jxf s MET 276 N -0.21 3.94 0.16 2.72 1.75 -1.26 -0.29 119.30 126.11 3jxf s MET 276 Ca 0.03 -0.33 0.07 0.00 -1.25 0.00 0.00 55.69 54.21 3jxf s MET 276 Cb -0.07 -3.59 -0.04 0.00 2.84 0.00 0.00 34.83 33.97 3jxf s MET 276 CO -0.00 -0.12 -0.15 -0.51 -0.65 0.00 0.00 175.02 173.58 3jxf s LEU 277 N 1.57 2.47 -0.04 4.11 1.43 -0.47 -4.96 118.68 122.79 3jxf s LEU 277 Ca 0.07 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 3jxf s LEU 277 Cb -0.15 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 3jxf s LEU 277 CO 0.09 -0.13 0.35 -0.32 0.23 0.00 0.00 176.35 176.57 3jxf s MET 278 N -3.05 3.86 0.24 1.70 -2.45 -1.26 -0.74 119.30 117.60 3jxf s MET 278 Ca 0.15 0.29 -0.08 0.00 -1.25 0.00 0.00 55.69 54.81 3jxf s MET 278 Cb -0.04 -3.24 -0.02 0.00 1.25 0.00 0.00 34.83 32.79 3jxf s MET 278 CO 0.05 0.66 0.37 0.34 1.05 0.00 0.00 175.02 177.49 3jxf s ASP 279 N -0.91 0.10 0.38 1.11 -1.08 0.00 -4.97 116.67 111.30 3jxf s ASP 279 Ca 0.22 -1.14 -0.26 0.00 -0.52 0.00 0.00 52.55 50.85 3jxf s ASP 279 Cb -0.16 0.53 -0.09 0.00 -1.46 0.00 0.00 42.92 41.75 3jxf s ASP 279 CO 0.11 -1.06 1.18 -0.31 0.52 0.00 0.00 175.17 175.61 3jxf s TYR 280 N -3.96 3.10 -0.36 -5.34 2.02 -1.26 -0.10 117.35 111.45 3jxf s TYR 280 Ca 0.29 1.55 -0.26 0.00 -0.37 0.00 0.00 57.07 58.27 3jxf s TYR 280 Cb 0.02 -3.43 0.01 0.00 -0.40 0.00 0.00 41.96 38.17 3jxf s TYR 280 CO 0.11 -1.34 0.95 -1.17 -1.57 0.00 0.00 175.55 172.53 3jxf s LEU 281 N -2.32 3.98 0.04 -1.29 2.96 0.10 -4.74 118.68 117.41 3jxf s LEU 281 Ca 0.55 0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 55.08 3jxf s LEU 281 Cb -0.32 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 3jxf s LEU 281 CO 0.41 -0.86 0.02 -1.10 -1.32 0.00 0.00 176.35 173.50 3jxf s GLN 282 N 3.50 0.53 -1.36 1.98 -0.21 -1.26 -4.62 119.66 118.23 3jxf s GLN 282 Ca 0.39 -0.89 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 3jxf s GLN 282 Cb -0.12 0.20 0.01 0.00 1.00 0.00 0.00 33.01 34.09 3jxf s GLN 282 CO 0.18 -0.11 0.63 0.09 -2.12 0.00 0.00 175.29 173.96 3jxf n ASN 283 N 0.71 -1.15 -3.59 5.90 3.02 -0.69 -4.88 115.26 114.58 3jxf n ASN 283 Ca -0.18 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 3jxf n ASN 283 Cb 0.59 -3.73 0.01 0.00 -0.61 0.00 0.00 39.78 36.03 3jxf n ASN 283 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3jxf n ASN 284 N -3.02 7.55 -4.06 6.41 6.94 -0.92 -4.91 115.26 123.25 3jxf n ASN 284 Ca -0.28 -3.39 -0.15 0.00 -0.02 0.00 0.00 54.58 50.74 3jxf n ASN 284 Cb 0.67 -1.28 -0.12 0.00 -2.36 0.00 0.00 39.78 36.69 3jxf n ASN 284 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3jxf s PHE 285 N -2.55 0.73 0.23 -2.53 -0.12 -1.26 -4.50 117.98 107.98 3jxf s PHE 285 Ca 0.46 -0.41 -0.24 0.00 -0.05 0.00 0.00 56.93 56.69 3jxf s PHE 285 Cb 0.18 -0.44 -0.09 0.00 -0.63 0.00 0.00 43.02 42.04 3jxf s PHE 285 CO -0.10 -0.05 0.81 0.50 -0.05 0.00 0.00 175.22 176.34 3jxf s ARG 286 N -1.30 4.47 0.85 1.99 3.52 -1.26 -5.01 118.95 122.20 3jxf s ARG 286 Ca -0.06 1.11 -0.10 0.00 -0.13 0.00 0.00 55.73 56.55 3jxf s ARG 286 Cb -0.08 -3.00 0.10 0.00 -1.56 0.00 0.00 34.95 30.41 3jxf s ARG 286 CO 0.01 0.43 1.12 -1.21 -0.81 0.00 0.00 175.30 174.83 3jxf s GLU 287 N -1.70 1.61 0.56 5.12 0.41 -1.26 -4.75 118.70 118.70 3jxf s GLU 287 Ca 0.42 1.36 -0.17 0.00 -0.41 0.00 0.00 54.97 56.18 3jxf s GLU 287 Cb -0.20 -1.81 -0.05 0.00 -1.78 0.00 0.00 34.13 30.29 3jxf s GLU 287 CO 0.24 -2.16 1.05 -0.65 -0.49 0.00 0.00 175.26 173.25 3jxf s GLN 288 N -4.78 3.48 0.15 1.61 -0.21 -1.26 -4.45 119.66 114.20 3jxf s GLN 288 Ca 0.64 1.21 0.08 0.00 0.02 0.00 0.00 55.36 57.31 3jxf s GLN 288 Cb -0.20 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 3jxf s GLN 288 CO 0.57 -0.68 -0.07 -0.65 -2.12 0.00 0.00 175.29 172.34 3jxf s GLN 289 N -3.90 2.18 0.36 2.91 -1.52 0.34 -4.97 119.66 115.05 3jxf s GLN 289 Ca 0.64 -1.12 -0.28 0.00 -1.95 0.00 0.00 55.36 52.64 3jxf s GLN 289 Cb -0.15 -2.27 -0.10 0.00 -0.22 0.00 0.00 33.01 30.26 3jxf s GLN 289 CO 0.33 0.47 1.37 0.71 -0.25 0.00 0.00 175.29 177.92 3jxf s TYR 290 N -1.51 2.85 0.29 0.91 2.02 -1.26 -4.67 117.35 115.98 3jxf s TYR 290 Ca 0.24 1.33 0.07 0.00 -0.37 0.00 0.00 57.07 58.35 3jxf s TYR 290 Cb -0.10 -3.80 0.45 0.00 -0.40 0.00 0.00 41.96 38.11 3jxf s TYR 290 CO 0.16 -2.29 1.69 0.87 -1.57 0.00 0.00 175.55 174.40 3jxf h LYS 291 N 3.14 0.18 -6.39 -0.62 1.57 -1.92 -3.44 116.57 109.08 3jxf h LYS 291 Ca -0.50 -0.09 -0.48 0.00 -1.87 0.00 0.00 60.65 57.71 3jxf h LYS 291 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3jxf h LYS 291 CO 0.64 0.61 -0.90 1.19 -0.57 0.00 0.00 179.45 180.42 3jxf n PHE 292 N -3.99 -1.73 -0.59 -1.35 3.72 -1.26 -1.62 117.46 110.64 3jxf n PHE 292 Ca -0.02 0.67 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 3jxf n PHE 292 Cb 0.50 -3.72 0.00 0.00 -0.94 0.00 0.00 39.48 35.33 3jxf n PHE 292 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3jxf n SER 293 N -2.90 0.00 -4.76 4.37 7.64 -1.26 -5.00 113.62 111.71 3jxf n SER 293 Ca -0.25 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.24 3jxf n SER 293 Cb 0.66 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.88 3jxf n SER 293 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3jxf s ARG 294 N -0.04 3.50 0.01 1.43 0.52 -0.64 -5.02 118.95 118.72 3jxf s ARG 294 Ca 0.00 2.21 -0.01 0.00 -0.52 0.00 0.00 55.73 57.41 3jxf s ARG 294 Cb 0.00 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 3jxf s ARG 294 CO 0.00 -0.89 0.17 -0.65 0.02 0.00 0.00 175.30 173.95 3jxf s GLN 295 N -2.65 3.36 -0.16 3.54 -1.52 -1.26 -4.99 119.66 115.98 3jxf s GLN 295 Ca 0.65 -0.39 -0.05 0.00 -1.95 0.00 0.00 55.36 53.62 3jxf s GLN 295 Cb -0.39 -3.03 -0.03 0.00 -0.22 0.00 0.00 33.01 29.33 3jxf s GLN 295 CO 0.49 0.65 -0.01 0.08 -0.25 0.00 0.00 175.29 176.25 3jxf s VAL 296 N -1.36 4.17 0.09 1.09 1.01 -1.26 -4.60 120.40 119.54 3jxf s VAL 296 Ca 0.29 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3jxf s VAL 296 Cb -0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3jxf s VAL 296 CO 0.21 0.48 0.14 -0.36 0.00 0.00 0.00 175.10 175.57 3jxf s PHE 297 N 0.35 3.30 -0.01 5.22 0.08 -0.19 -0.62 117.98 126.11 3jxf s PHE 297 Ca -0.02 0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.19 3jxf s PHE 297 Cb -0.14 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 3jxf s PHE 297 CO 0.02 0.54 -0.13 0.45 -0.10 0.00 0.00 175.22 176.01 3jxf s SER 298 N -2.56 1.47 0.85 1.36 0.15 -0.42 -0.85 113.70 113.70 3jxf s SER 298 Ca 0.31 -0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.61 3jxf s SER 298 Cb -0.12 -0.16 0.10 0.00 -1.71 0.00 0.00 66.02 64.13 3jxf s SER 298 CO 0.24 0.14 1.09 -0.94 1.20 0.00 0.00 173.24 174.98 3jxf s SER 299 N -0.36 3.89 -0.18 5.45 1.04 -0.31 -1.07 113.70 122.15 3jxf s SER 299 Ca 0.04 1.64 -0.01 0.00 0.48 0.00 0.00 55.95 58.11 3jxf s SER 299 Cb -0.05 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3jxf s SER 299 CO -0.00 -2.40 -0.13 -0.47 0.98 0.00 0.00 173.24 171.21 3jxf s TYR 300 N -2.92 2.84 0.00 5.02 6.14 -1.26 -4.73 117.35 122.44 3jxf s TYR 300 Ca 0.63 -1.19 0.00 0.00 0.64 0.00 0.00 57.07 57.14 3jxf s TYR 300 Cb -0.18 -1.97 0.00 0.00 0.42 0.00 0.00 41.96 40.24 3jxf s TYR 300 CO 0.57 -0.60 0.11 0.25 0.64 0.00 0.00 175.55 176.52