#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xju n THR 30 N 0.00 0.03 -1.82 5.15 -1.04 -1.26 -4.94 114.28 110.40 1xju n THR 30 Ca 0.00 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.71 1xju n THR 30 Cb 0.00 -0.86 0.15 0.00 -1.82 0.00 0.00 70.33 67.80 1xju n THR 30 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xju s ASN 31 N 0.81 3.45 0.28 8.00 2.20 -1.26 -4.80 114.94 123.62 1xju s ASN 31 Ca 0.86 0.53 -0.03 0.00 -0.94 0.00 0.00 52.86 53.28 1xju s ASN 31 Cb -0.97 -0.79 0.38 0.00 -2.00 0.00 0.00 41.25 37.87 1xju s ASN 31 CO 0.49 -2.55 1.91 1.56 -2.94 0.00 0.00 177.10 175.57 1xju h GLN 32 N -1.51 1.08 -0.61 3.55 1.08 -1.99 -0.67 115.11 116.05 1xju h GLN 32 Ca -0.46 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 56.59 1xju h GLN 32 Cb 1.28 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.46 1xju h GLN 32 CO 0.49 0.78 0.20 0.00 -0.95 0.00 0.00 178.83 179.35 1xju h ALA 33 N 1.40 0.79 -0.57 3.87 0.00 -1.99 -0.56 119.26 122.20 1xju h ALA 33 Ca 0.28 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1xju h ALA 33 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xju h ALA 33 CO -0.05 0.45 -0.04 0.78 0.00 0.00 0.00 179.25 180.39 1xju h GLY 34 N 0.86 1.12 1.29 0.00 0.00 -1.71 -2.30 103.07 102.33 1xju h GLY 34 Ca 0.20 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1xju h GLY 34 CO -0.01 0.79 0.33 1.41 0.00 0.00 0.00 176.54 179.06 1xju h LEU 35 N 0.92 0.83 -0.98 3.11 3.38 -0.87 -1.92 115.31 119.78 1xju h LEU 35 Ca 0.16 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1xju h LEU 35 Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1xju h LEU 35 CO 0.04 0.69 -0.48 -0.33 0.09 0.00 0.00 178.44 178.45 1xju h GLU 36 N 0.92 0.07 -0.14 1.13 5.08 -0.92 -0.37 114.58 120.36 1xju h GLU 36 Ca 0.23 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1xju h GLU 36 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xju h GLU 36 CO -0.03 0.54 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.94 1xju h LEU 37 N 0.06 0.42 -0.29 1.33 3.38 -0.89 -3.05 115.31 116.26 1xju h LEU 37 Ca -0.00 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1xju h LEU 37 Cb 0.87 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1xju h LEU 37 CO 0.07 0.85 -0.56 0.40 0.09 0.00 0.00 178.44 179.29 1xju h ILE 38 N 0.30 1.27 -0.49 1.22 2.04 -1.08 -3.49 117.51 117.28 1xju h ILE 38 Ca 0.01 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1xju h ILE 38 Cb 1.00 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1xju h ILE 38 CO 0.09 0.57 0.00 0.61 0.00 0.00 0.00 178.15 179.41 1xju n GLY 39 N 0.38 0.16 3.76 5.37 0.00 -0.17 -4.94 105.19 109.75 1xju n GLY 39 Ca -0.04 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 1xju n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xju s ASN 40 N -4.00 4.40 0.35 1.61 2.20 -1.26 -4.96 114.94 113.28 1xju s ASN 40 Ca 0.00 -1.16 0.06 0.00 -0.94 0.00 0.00 52.86 50.82 1xju s ASN 40 Cb 0.00 -0.27 0.65 0.00 -2.00 0.00 0.00 41.25 39.62 1xju s ASN 40 CO 0.00 -0.64 1.87 0.00 -2.94 0.00 0.00 177.10 175.39 1xju h ALA 41 N 1.35 1.39 -0.81 3.54 0.00 -1.93 -1.19 119.26 121.61 1xju h ALA 41 Ca -0.42 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.38 1xju h ALA 41 Cb 1.26 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1xju h ALA 41 CO 0.69 0.42 0.53 1.49 0.00 0.00 0.00 179.25 182.38 1xju h GLU 42 N 0.40 0.66 -0.72 0.00 4.81 -1.98 -1.16 114.58 116.59 1xju h GLU 42 Ca 0.08 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1xju h GLU 42 Cb 0.38 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1xju h GLU 42 CO 0.02 0.43 0.47 0.78 -0.73 0.00 0.00 179.01 179.99 1xju h GLY 43 N 0.68 0.96 1.51 1.92 0.00 -1.60 -0.08 103.07 106.45 1xju h GLY 43 Ca 0.38 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1xju h GLY 43 CO -0.15 0.24 -0.40 0.00 0.00 0.00 0.00 176.54 176.23 1xju h ARG 45 N 0.45 1.09 0.08 0.00 3.08 -0.88 -3.23 114.38 114.96 1xju h ARG 45 Ca 0.04 -0.26 -0.26 0.00 0.07 0.00 0.00 59.98 59.57 1xju h ARG 45 Cb 0.89 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.82 1xju h ARG 45 CO 0.08 0.97 -1.07 0.00 -1.07 0.00 0.00 179.97 178.88 1xju h ARG 46 N 1.04 0.59 -3.00 0.04 2.47 -0.93 -3.42 114.38 111.16 1xju h ARG 46 Ca 0.22 -0.73 -0.55 0.00 -1.26 0.00 0.00 59.98 57.65 1xju h ARG 46 Cb 0.37 0.23 -0.40 0.00 -1.65 0.00 0.00 29.97 28.53 1xju h ARG 46 CO 0.00 1.32 -0.77 -0.51 0.56 0.00 0.00 179.97 180.57 1xju s ASP 47 N -7.26 3.67 0.61 7.04 1.01 -0.05 -5.03 116.67 116.66 1xju s ASP 47 Ca -0.10 -1.41 0.29 0.00 0.71 0.00 0.00 52.55 52.03 1xju s ASP 47 Cb 0.05 -0.50 1.56 0.00 1.01 0.00 0.00 42.92 45.04 1xju s ASP 47 CO 0.91 -0.43 1.95 -0.65 0.21 0.00 0.00 175.17 177.16 1xju h PRO 48 N 8.29 0.00 0.00 8.23 0.11 -1.79 0.18 132.00 147.01 1xju h PRO 48 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1xju h PRO 48 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1xju h PRO 48 CO 0.45 0.00 0.00 0.10 -0.21 0.00 0.00 178.00 178.34 1xju h TYR 49 N 0.00 0.00 -0.00 0.65 -0.00 -1.91 -1.77 116.97 113.94 1xju h TYR 49 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.87 1xju h TYR 49 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.62 1xju h TYR 49 CO 0.00 0.00 -0.07 -1.33 -0.00 0.00 0.00 178.16 176.76 1xju n MET 50 N -2.76 0.92 -1.97 0.10 2.81 0.05 -4.94 117.12 111.34 1xju n MET 50 Ca -0.02 -0.32 -0.32 0.00 -1.81 0.00 0.00 57.70 55.24 1xju n MET 50 Cb 0.11 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.14 1xju n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xju s PRO 52 N -4.51 3.09 0.32 0.00 0.04 -1.26 -4.64 135.00 128.04 1xju s PRO 52 Ca 0.60 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.63 1xju s PRO 52 Cb -0.13 -2.06 0.74 0.00 0.04 0.00 0.00 34.50 33.08 1xju s PRO 52 CO 0.43 -1.14 1.82 0.00 0.04 0.00 0.00 177.00 178.15 1xju h ALA 53 N 1.16 1.72 0.00 8.56 0.00 -1.22 -2.38 119.26 127.10 1xju h ALA 53 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xju h ALA 53 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xju h ALA 53 CO 0.56 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1xju n GLY 54 N -1.38 -1.07 0.74 0.00 0.00 -1.26 -2.03 105.19 100.19 1xju n GLY 54 Ca 0.20 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1xju n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xju n VAL 55 N -1.95 0.36 -1.58 1.61 0.24 -0.89 -4.68 118.33 111.44 1xju n VAL 55 Ca 0.02 -0.68 -0.33 0.00 -2.04 0.00 0.00 64.34 61.31 1xju n VAL 55 Cb 0.17 1.03 0.06 0.00 -1.47 0.00 0.00 33.84 33.63 1xju n VAL 55 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1xju s TRP 56 N -1.21 2.55 0.10 6.34 0.52 -0.86 -4.94 118.94 121.44 1xju s TRP 56 Ca 0.24 1.56 -0.31 0.00 0.02 0.00 0.00 56.10 57.61 1xju s TRP 56 Cb 0.15 -3.16 -0.10 0.00 -1.15 0.00 0.00 33.47 29.21 1xju s TRP 56 CO 0.21 -1.79 1.82 0.99 0.02 0.00 0.00 176.95 178.19 1xju s THR 57 N -2.47 2.70 -1.54 2.01 2.01 -1.26 -1.28 115.64 115.80 1xju s THR 57 Ca 0.66 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1xju s THR 57 Cb -0.20 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1xju s THR 57 CO 0.46 -0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.86 1xju n ASP 58 N 5.93 -5.21 -4.83 3.53 9.92 -1.26 -4.96 116.55 119.68 1xju n ASP 58 Ca 0.18 0.06 -0.30 0.00 -0.53 0.00 0.00 54.79 54.20 1xju n ASP 58 Cb 0.39 -4.37 0.07 0.00 -0.64 0.00 0.00 41.12 36.57 1xju n ASP 58 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xju s GLY 59 N -2.05 1.63 -0.31 0.44 0.00 -0.41 -5.04 107.32 101.59 1xju s GLY 59 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 1xju s GLY 59 CO 0.00 0.19 0.11 -0.42 0.00 0.00 0.00 173.10 172.98 1xju s ILE 60 N -3.20 0.69 -0.19 0.90 1.01 -1.26 -4.92 121.20 114.24 1xju s ILE 60 Ca 0.60 -1.32 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1xju s ILE 60 Cb -0.13 -1.53 -0.22 0.00 0.01 0.00 0.00 42.46 40.59 1xju s ILE 60 CO 0.54 -0.70 0.08 0.61 0.00 0.00 0.00 174.94 175.46 1xju n GLY 61 N 4.87 -0.56 0.93 6.18 0.00 -1.26 -4.63 105.19 110.71 1xju n GLY 61 Ca -0.02 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1xju n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xju n GLY 65 N 2.05 -0.96 3.76 -0.02 0.00 -1.26 -4.89 105.19 103.86 1xju n GLY 65 Ca -0.37 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1xju n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xju s VAL 66 N -4.63 2.69 -0.13 1.61 -7.23 -1.26 -5.04 120.40 106.41 1xju s VAL 66 Ca 0.00 0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.60 1xju s VAL 66 Cb 0.00 -3.16 0.02 0.00 0.56 0.00 0.00 36.38 33.80 1xju s VAL 66 CO 0.00 -0.10 -0.13 0.42 -0.31 0.00 0.00 175.10 174.98 1xju s THR 67 N -1.63 1.42 0.44 5.32 -4.23 -1.26 -5.05 115.64 110.64 1xju s THR 67 Ca 0.77 -0.55 0.14 0.00 -1.18 0.00 0.00 61.69 60.87 1xju s THR 67 Cb -0.29 -1.34 0.17 0.00 1.34 0.00 0.00 72.50 72.38 1xju s THR 67 CO 0.33 0.43 1.98 1.55 -0.54 0.00 0.00 174.62 178.36 1xju h PRO 68 N 7.87 0.00 0.00 3.99 0.13 -2.05 -3.47 132.00 138.47 1xju h PRO 68 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xju h PRO 68 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xju h PRO 68 CO 0.49 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 1xju n GLY 69 N -0.95 0.75 3.67 1.56 0.00 -1.26 -5.03 105.19 103.93 1xju n GLY 69 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1xju n GLY 69 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xju n VAL 70 N -2.00 1.52 -1.72 1.61 3.14 -1.26 -4.84 118.33 114.79 1xju n VAL 70 Ca 0.00 -0.38 -0.43 0.00 -2.96 0.00 0.00 64.34 60.57 1xju n VAL 70 Cb 0.00 -1.45 -0.02 0.00 -1.06 0.00 0.00 33.84 31.31 1xju n VAL 70 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1xju n ARG 71 N 1.23 2.53 -2.65 1.45 0.63 -1.26 -4.95 116.66 113.64 1xju n ARG 71 Ca 0.08 0.90 -0.41 0.00 -0.92 0.00 0.00 57.85 57.51 1xju n ARG 71 Cb 0.33 -2.68 -0.04 0.00 0.45 0.00 0.00 32.46 30.53 1xju n ARG 71 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1xju s LYS 72 N 0.08 4.65 0.70 -0.14 1.02 -1.26 -5.00 119.74 119.79 1xju s LYS 72 Ca 0.69 1.54 -0.12 0.00 0.02 0.00 0.00 55.97 58.10 1xju s LYS 72 Cb -0.55 -3.35 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 1xju s LYS 72 CO 0.44 0.13 1.08 0.95 -0.92 0.00 0.00 175.35 177.03 1xju s THR 73 N 0.05 3.55 0.25 2.17 -4.23 -1.26 -4.84 115.64 111.34 1xju s THR 73 Ca 0.49 0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 61.54 1xju s THR 73 Cb -0.25 -3.14 0.23 0.00 1.34 0.00 0.00 72.50 70.68 1xju s THR 73 CO 0.31 -0.59 1.83 0.44 -0.54 0.00 0.00 174.62 176.08 1xju h ASP 74 N -0.57 0.80 -0.80 3.99 3.32 -1.99 -0.55 116.42 120.62 1xju h ASP 74 Ca -0.45 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1xju h ASP 74 Cb 1.23 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1xju h ASP 74 CO 0.54 0.48 0.49 -0.61 -1.72 0.00 0.00 179.24 178.42 1xju h GLN 75 N 0.92 1.08 -0.37 3.56 -0.00 -1.99 -1.17 115.11 117.14 1xju h GLN 75 Ca 0.41 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.65 58.87 1xju h GLN 75 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 1xju h GLN 75 CO -0.22 0.76 -0.13 1.96 0.00 0.00 0.00 178.83 181.20 1xju h GLN 76 N 1.10 0.74 -0.83 1.69 4.20 -1.73 -0.45 115.11 119.83 1xju h GLN 76 Ca 0.29 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1xju h GLN 76 Cb -0.05 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1xju h GLN 76 CO -0.06 0.91 0.46 0.82 -0.67 0.00 0.00 178.83 180.30 1xju h ILE 77 N 0.54 1.24 -0.49 2.54 2.04 -0.91 -0.05 117.51 122.41 1xju h ILE 77 Ca 0.09 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 1xju h ILE 77 Cb 0.66 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1xju h ILE 77 CO 0.05 0.27 -0.08 0.00 0.00 0.00 0.00 178.15 178.38 1xju h ALA 78 N 1.25 0.67 -0.26 1.87 0.00 -1.06 -1.99 119.26 119.74 1xju h ALA 78 Ca 0.29 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xju h ALA 78 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xju h ALA 78 CO -0.05 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.66 1xju h ALA 79 N 0.90 1.38 -0.08 0.00 0.00 -0.70 -2.90 119.26 117.85 1xju h ALA 79 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xju h ALA 79 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xju h ALA 79 CO 0.04 0.43 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 1xju n ASP 80 N -4.25 2.10 0.05 0.00 10.43 -0.07 -4.49 116.55 120.32 1xju n ASP 80 Ca 0.00 -1.71 -0.12 0.00 2.57 0.00 0.00 54.79 55.53 1xju n ASP 80 Cb 0.28 -0.04 -0.06 0.00 1.84 0.00 0.00 41.12 43.13 1xju n ASP 80 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 1xju h TRP 81 N 3.13 -0.10 -0.59 1.24 2.91 -1.14 -0.42 115.95 120.97 1xju h TRP 81 Ca 0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 1xju h TRP 81 Cb 0.67 0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.34 1xju h TRP 81 CO 0.04 -0.07 0.21 1.49 -1.03 0.00 0.00 178.44 179.09 1xju h GLU 82 N -0.07 0.90 -0.84 2.65 4.57 -1.81 -1.50 114.58 118.46 1xju h GLU 82 Ca 0.02 -0.18 0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1xju h GLU 82 Cb 0.09 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.48 1xju h GLU 82 CO -0.04 0.78 0.50 -0.22 -1.18 0.00 0.00 179.01 178.86 1xju h LYS 83 N 0.82 0.85 -0.14 1.92 3.64 -1.75 -1.14 116.57 120.77 1xju h LYS 83 Ca 0.19 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1xju h LYS 83 Cb 0.24 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1xju h LYS 83 CO -0.01 0.56 -0.44 -0.91 -2.27 0.00 0.00 179.45 176.38 1xju h ASN 84 N 0.88 0.35 -0.50 4.20 2.35 -0.50 -0.64 115.58 121.72 1xju h ASN 84 Ca 0.39 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1xju h ASN 84 Cb 0.28 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1xju h ASN 84 CO -0.21 0.75 0.24 0.40 -1.65 0.00 0.00 177.43 176.96 1xju h ILE 85 N 0.27 1.19 -0.75 2.81 2.04 -0.44 -1.16 117.51 121.47 1xju h ILE 85 Ca 0.02 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1xju h ILE 85 Cb 0.89 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1xju h ILE 85 CO 0.07 0.22 0.39 -0.07 0.00 0.00 0.00 178.15 178.76 1xju h LEU 86 N 0.66 0.96 -1.06 1.44 3.38 -0.93 -0.50 115.31 119.27 1xju h LEU 86 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xju h LEU 86 Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1xju h LEU 86 CO -0.02 0.80 0.37 0.40 0.09 0.00 0.00 178.44 180.08 1xju h ILE 87 N 1.05 1.23 -0.42 1.22 2.04 -0.95 -0.07 117.51 121.61 1xju h ILE 87 Ca 0.26 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1xju h ILE 87 Cb 0.07 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1xju h ILE 87 CO -0.04 0.26 0.03 0.00 0.00 0.00 0.00 178.15 178.40 1xju h ALA 88 N 1.37 0.56 -0.64 1.87 0.00 -0.60 0.43 119.26 122.26 1xju h ALA 88 Ca 0.26 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xju h ALA 88 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xju h ALA 88 CO -0.04 0.32 0.42 0.93 0.00 0.00 0.00 179.25 180.88 1xju h GLU 89 N 0.56 0.83 -0.64 0.00 5.08 -0.76 -1.72 114.58 117.93 1xju h GLU 89 Ca 0.12 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1xju h GLU 89 Cb 0.44 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1xju h GLU 89 CO 0.02 0.55 0.39 -0.09 -1.00 0.00 0.00 179.01 178.87 1xju h ARG 90 N 0.86 0.73 -0.22 2.33 2.43 -0.77 -0.43 114.38 119.31 1xju h ARG 90 Ca 0.23 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1xju h ARG 90 Cb -0.09 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.24 1xju h ARG 90 CO -0.05 0.48 -0.09 0.00 -1.51 0.00 0.00 179.97 178.80 1xju h ILE 92 N -0.06 1.23 -0.17 0.00 1.08 -0.81 0.11 117.51 118.88 1xju h ILE 92 Ca 0.11 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1xju h ILE 92 Cb 0.23 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1xju h ILE 92 CO -0.26 0.28 0.08 0.78 -0.69 0.00 0.00 178.15 178.34 1xju h ASN 93 N 0.72 0.23 0.45 1.72 2.35 -0.86 -0.40 115.58 119.78 1xju h ASN 93 Ca 0.17 -0.13 -0.23 0.00 -0.55 0.00 0.00 56.30 55.57 1xju h ASN 93 Cb 0.25 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1xju h ASN 93 CO -0.01 0.29 -0.97 1.56 -1.65 0.00 0.00 177.43 176.66 1xju h GLN 94 N 0.15 0.33 -0.00 0.81 4.20 -0.59 -3.33 115.11 116.68 1xju h GLN 94 Ca 0.06 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1xju h GLN 94 Cb 0.13 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1xju h GLN 94 CO -0.01 1.08 -0.16 0.72 -0.67 0.00 0.00 178.83 179.80 1xju n HIS 95 N -3.69 0.00 -1.73 2.96 8.25 0.36 -4.72 115.22 116.65 1xju n HIS 95 Ca -0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1xju n HIS 95 Cb 0.86 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.01 1xju n HIS 95 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xju n PHE 96 N -0.96 0.00 -3.55 4.41 3.01 -0.43 -4.86 117.46 115.08 1xju n PHE 96 Ca 0.01 -0.31 -0.25 0.00 1.01 0.00 0.00 57.45 57.90 1xju n PHE 96 Cb 0.06 -0.08 0.06 0.00 -0.01 0.00 0.00 39.48 39.51 1xju n PHE 96 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xju n ARG 97 N -0.43 -6.88 -0.34 -1.08 1.74 -1.07 -4.68 116.66 103.91 1xju n ARG 97 Ca 0.05 0.79 0.12 0.00 -0.77 0.00 0.00 57.85 58.04 1xju n ARG 97 Cb 0.69 -5.78 0.32 0.00 -1.02 0.00 0.00 32.46 26.67 1xju n ARG 97 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1xju h GLY 98 N -2.32 1.65 2.00 -0.13 0.00 -1.23 -0.67 103.07 102.36 1xju h GLY 98 Ca -0.56 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.38 1xju h GLY 98 CO 0.58 0.00 -0.12 1.70 0.00 0.00 0.00 176.54 178.70 1xju h LYS 99 N 0.79 0.00 0.00 4.80 1.63 -1.84 -2.71 116.57 119.23 1xju h LYS 99 Ca 0.55 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.35 1xju h LYS 99 Cb 0.81 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1xju h LYS 99 CO -0.33 0.12 -0.49 -0.25 -3.45 0.00 0.00 179.45 175.05 1xju n ASP 100 N -4.30 0.55 -4.84 4.20 8.00 -0.27 -4.91 116.55 114.99 1xju n ASP 100 Ca -0.03 0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1xju n ASP 100 Cb 0.20 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 1xju n ASP 100 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1xju s MET 101 N -3.08 4.02 0.92 -1.24 -1.94 -1.03 -5.07 119.30 111.89 1xju s MET 101 Ca 0.09 1.00 -0.11 0.00 -1.71 0.00 0.00 55.69 54.96 1xju s MET 101 Cb 0.16 -2.15 0.15 0.00 2.01 0.00 0.00 34.83 35.00 1xju s MET 101 CO 0.69 -0.21 1.09 -2.14 -0.01 0.00 0.00 175.02 174.44 1xju s PRO 102 N -3.82 1.01 0.28 2.03 0.02 -1.26 -4.77 135.00 128.49 1xju s PRO 102 Ca 0.60 1.00 -0.03 0.00 0.02 0.00 0.00 61.00 62.59 1xju s PRO 102 Cb -0.10 -1.77 0.39 0.00 0.02 0.00 0.00 34.50 33.05 1xju s PRO 102 CO 0.26 -2.46 1.95 -0.44 -0.33 0.00 0.00 177.00 175.98 1xju h ASP 103 N -1.72 1.00 -0.14 2.53 3.32 -1.97 -0.83 116.42 118.60 1xju h ASP 103 Ca -0.49 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 1xju h ASP 103 Cb 1.28 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1xju h ASP 103 CO 0.51 0.73 0.02 0.78 -1.72 0.00 0.00 179.24 179.56 1xju h ASN 104 N 1.17 0.23 -0.56 6.45 2.35 -1.88 -0.62 115.58 122.71 1xju h ASN 104 Ca 0.31 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1xju h ASN 104 Cb -0.12 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1xju h ASN 104 CO -0.07 0.44 0.32 0.00 -1.65 0.00 0.00 177.43 176.47 1xju h ALA 105 N 0.80 0.72 -0.57 -0.83 0.00 -1.59 -0.78 119.26 117.00 1xju h ALA 105 Ca 0.04 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xju h ALA 105 Cb 0.31 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1xju h ALA 105 CO 0.00 0.22 0.27 0.35 0.00 0.00 0.00 179.25 180.09 1xju h PHE 106 N 0.76 0.48 -0.33 0.00 3.57 -1.02 -0.71 116.94 119.68 1xju h PHE 106 Ca 0.20 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 1xju h PHE 106 Cb 0.02 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1xju h PHE 106 CO -0.02 0.19 -0.39 0.77 -2.23 0.00 0.00 178.31 176.64 1xju h SER 107 N 0.49 0.92 -0.42 0.41 0.02 -0.74 -0.26 113.55 113.97 1xju h SER 107 Ca 0.27 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1xju h SER 107 Cb 0.24 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1xju h SER 107 CO -0.22 1.22 0.18 0.00 -1.14 0.00 0.00 176.83 176.86 1xju h ALA 108 N 0.73 0.55 -0.66 3.77 0.00 -0.98 -2.13 119.26 120.54 1xju h ALA 108 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1xju h ALA 108 Cb 0.98 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1xju h ALA 108 CO 0.09 0.14 0.19 0.52 0.00 0.00 0.00 179.25 180.19 1xju h MET 109 N 0.54 1.03 -0.53 0.00 2.07 -1.01 -1.83 114.93 115.20 1xju h MET 109 Ca 0.14 -0.22 -0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1xju h MET 109 Cb 0.17 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 1xju h MET 109 CO -0.01 0.89 0.32 1.15 1.07 0.00 0.00 176.91 180.34 1xju h THR 110 N 0.99 1.16 -0.29 2.22 2.02 -0.87 0.39 112.91 118.52 1xju h THR 110 Ca 0.21 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1xju h THR 110 Cb 0.31 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1xju h THR 110 CO -0.00 0.16 0.02 -1.28 0.37 0.00 0.00 175.52 174.79 1xju h SER 111 N 0.72 -0.07 -0.73 4.18 0.87 -1.04 0.14 113.55 117.62 1xju h SER 111 Ca 0.19 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1xju h SER 111 Cb -0.02 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1xju h SER 111 CO -0.04 -0.00 0.37 0.00 -0.53 0.00 0.00 176.83 176.63 1xju h ALA 112 N 1.24 0.93 -0.50 6.23 0.00 -0.98 -2.04 119.26 124.14 1xju h ALA 112 Ca 0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xju h ALA 112 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xju h ALA 112 CO -0.22 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.44 1xju h ALA 113 N 1.18 0.94 -0.40 0.00 0.00 -0.52 0.77 119.26 121.23 1xju h ALA 113 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xju h ALA 113 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xju h ALA 113 CO -0.04 0.63 0.26 0.35 0.00 0.00 0.00 179.25 180.45 1xju h PHE 114 N 0.81 0.51 -0.02 0.00 3.04 -0.67 -0.31 116.94 120.30 1xju h PHE 114 Ca 0.14 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.97 1xju h PHE 114 Cb 0.58 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.93 1xju h PHE 114 CO 0.03 0.33 -0.49 -0.97 -2.02 0.00 0.00 178.31 175.20 1xju h ASN 115 N 0.54 0.46 0.00 0.41 -0.00 -1.08 -2.41 115.58 113.51 1xju h ASN 115 Ca 0.15 -0.74 0.00 0.00 -0.00 0.00 0.00 56.30 55.71 1xju h ASN 115 Cb -0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.13 1xju h ASN 115 CO -0.03 1.13 -1.64 0.23 -0.00 0.00 0.00 177.43 177.12 1xju n MET 116 N -4.30 0.65 0.00 6.67 2.81 0.24 -2.71 117.12 120.47 1xju n MET 116 Ca -0.10 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1xju n MET 116 Cb 0.61 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1xju n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xju n GLY 117 N 1.43 -0.25 0.29 3.03 0.00 -0.13 -4.37 105.19 105.19 1xju n GLY 117 Ca -0.02 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 1xju n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xju h ASN 119 N 0.97 0.75 -0.36 0.00 -0.26 -1.87 -1.17 115.58 113.62 1xju h ASN 119 Ca 0.24 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 1xju h ASN 119 Cb 0.11 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1xju h ASN 119 CO -0.03 0.89 0.05 0.28 -1.06 0.00 0.00 177.43 177.56 1xju h SER 120 N 0.69 0.66 1.19 5.81 0.02 -1.72 -2.29 113.55 117.90 1xju h SER 120 Ca 0.12 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1xju h SER 120 Cb 0.59 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1xju h SER 120 CO 0.04 0.69 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.10 1xju h LEU 121 N 0.67 0.00 0.03 5.07 3.38 -1.08 -3.35 115.31 120.03 1xju h LEU 121 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1xju h LEU 121 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xju h LEU 121 CO 0.01 0.25 -0.33 0.03 0.09 0.00 0.00 178.44 178.49 1xju h ARG 122 N 0.00 0.06 -4.02 1.13 3.08 -0.69 -3.37 114.38 110.56 1xju h ARG 122 Ca -0.00 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1xju h ARG 122 Cb 0.91 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 30.86 1xju h ARG 122 CO 0.03 1.05 -0.45 0.95 -1.07 0.00 0.00 179.97 180.48 1xju s THR 123 N -2.28 0.12 0.16 2.04 -4.23 -0.94 -1.94 115.64 108.58 1xju s THR 123 Ca -0.19 -1.49 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1xju s THR 123 Cb -0.01 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 1xju s THR 123 CO 0.71 -0.53 -0.15 -0.72 -0.54 0.00 0.00 174.62 173.38 1xju s TYR 124 N -3.95 1.61 -0.21 3.99 -0.85 -0.37 -4.45 117.35 113.12 1xju s TYR 124 Ca 0.14 -0.56 -0.21 0.00 -0.52 0.00 0.00 57.07 55.92 1xju s TYR 124 Cb 0.05 -0.79 -0.02 0.00 0.38 0.00 0.00 41.96 41.58 1xju s TYR 124 CO -0.04 0.26 0.64 -0.47 -1.52 0.00 0.00 175.55 174.42 1xju s TYR 125 N -2.52 3.35 -0.36 -3.49 6.14 -1.26 -0.64 117.35 118.58 1xju s TYR 125 Ca 0.16 0.91 -0.12 0.00 0.64 0.00 0.00 57.07 58.66 1xju s TYR 125 Cb -0.03 -2.82 0.00 0.00 0.42 0.00 0.00 41.96 39.54 1xju s TYR 125 CO 0.05 -0.21 0.23 0.45 0.64 0.00 0.00 175.55 176.71 1xju s SER 126 N 1.26 5.92 0.31 4.32 0.15 -0.27 -4.95 113.70 120.44 1xju s SER 126 Ca 0.28 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1xju s SER 126 Cb -0.16 -2.10 0.51 0.00 -1.71 0.00 0.00 66.02 62.56 1xju s SER 126 CO 0.10 -0.31 1.87 0.50 1.20 0.00 0.00 173.24 176.60 1xju h LYS 127 N 8.49 0.72 -0.23 5.44 3.64 -1.96 0.14 116.57 132.81 1xju h LYS 127 Ca -0.29 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1xju h LYS 127 Cb 1.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1xju h LYS 127 CO 0.66 0.65 -0.01 0.00 -2.27 0.00 0.00 179.45 178.48 1xju h ALA 128 N 1.44 1.57 -0.01 5.00 0.00 -1.94 -2.90 119.26 122.40 1xju h ALA 128 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xju h ALA 128 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xju h ALA 128 CO -0.00 0.32 -0.35 0.54 0.00 0.00 0.00 179.25 179.75 1xju n ARG 129 N -4.34 1.63 -2.03 0.00 1.74 -1.08 -5.00 116.66 107.58 1xju n ARG 129 Ca 0.00 -0.82 -0.14 0.00 -0.77 0.00 0.00 57.85 56.12 1xju n ARG 129 Cb 0.20 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 1xju n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xju n GLY 130 N 1.18 0.27 3.67 -0.13 0.00 0.47 -4.96 105.19 105.68 1xju n GLY 130 Ca 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1xju n GLY 130 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xju s MET 131 N -4.28 1.26 0.36 1.61 0.23 -1.02 -4.99 119.30 112.46 1xju s MET 131 Ca 0.00 -0.63 -0.27 0.00 -1.03 0.00 0.00 55.69 53.76 1xju s MET 131 Cb 0.00 0.47 -0.09 0.00 -1.53 0.00 0.00 34.83 33.68 1xju s MET 131 CO 0.00 -0.57 1.22 1.03 -2.03 0.00 0.00 175.02 174.67 1xju s ARG 132 N -3.46 4.22 -0.04 3.16 0.52 -1.26 -1.11 118.95 120.99 1xju s ARG 132 Ca 0.09 2.00 0.03 0.00 -0.52 0.00 0.00 55.73 57.33 1xju s ARG 132 Cb -0.02 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1xju s ARG 132 CO -0.01 -0.23 -0.13 0.08 0.02 0.00 0.00 175.30 175.03 1xju s VAL 133 N -1.27 1.09 0.29 3.52 1.01 0.19 -4.91 120.40 120.33 1xju s VAL 133 Ca 0.53 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1xju s VAL 133 Cb -0.35 -0.96 -0.12 0.00 0.00 0.00 0.00 36.38 34.96 1xju s VAL 133 CO 0.45 0.33 1.50 1.21 0.00 0.00 0.00 175.10 178.59 1xju n GLU 134 N 3.27 2.45 -2.03 2.72 2.13 -1.26 -1.24 120.64 126.68 1xju n GLU 134 Ca -0.19 0.87 -0.33 0.00 0.66 0.00 0.00 57.16 58.17 1xju n GLU 134 Cb 0.53 -2.59 0.02 0.00 0.27 0.00 0.00 31.44 29.67 1xju n GLU 134 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xju s THR 135 N -0.22 3.54 0.22 6.31 -4.23 -0.82 -4.83 115.64 115.61 1xju s THR 135 Ca 0.64 0.77 -0.09 0.00 -1.18 0.00 0.00 61.69 61.83 1xju s THR 135 Cb -0.55 -3.28 0.18 0.00 1.34 0.00 0.00 72.50 70.19 1xju s THR 135 CO 0.51 -0.39 1.88 0.28 -0.54 0.00 0.00 174.62 176.37 1xju h SER 136 N 0.51 0.89 -0.87 3.99 0.02 -1.92 -0.98 113.55 115.20 1xju h SER 136 Ca -0.47 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1xju h SER 136 Cb 1.23 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1xju h SER 136 CO 0.56 0.64 0.55 -0.29 -1.14 0.00 0.00 176.83 177.15 1xju h ILE 137 N 1.05 1.11 -0.37 3.27 2.10 -1.88 -1.28 117.51 121.52 1xju h ILE 137 Ca 0.30 -0.36 -0.10 0.00 1.08 0.00 0.00 64.86 65.78 1xju h ILE 137 Cb -0.08 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 35.60 1xju h ILE 137 CO -0.08 0.19 -0.16 -0.74 -1.08 0.00 0.00 178.15 176.29 1xju h HIS 138 N 1.06 0.87 -0.42 2.19 2.76 -1.64 -1.59 115.15 118.38 1xju h HIS 138 Ca 0.36 -0.21 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1xju h HIS 138 Cb 0.06 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.77 1xju h HIS 138 CO -0.02 0.93 0.16 -0.22 -1.30 0.00 0.00 177.93 177.48 1xju h LYS 139 N 0.55 0.33 -0.18 5.26 3.64 -0.72 -0.95 116.57 124.50 1xju h LYS 139 Ca 0.08 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 1xju h LYS 139 Cb 0.70 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1xju h LYS 139 CO 0.05 0.22 -0.62 -1.49 -2.27 0.00 0.00 179.45 175.34 1xju h TRP 140 N 0.34 0.80 -0.57 1.91 4.06 -1.21 -2.55 115.95 118.72 1xju h TRP 140 Ca 0.19 -0.31 0.05 0.00 2.06 0.00 0.00 58.89 60.89 1xju h TRP 140 Cb 0.16 -0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 28.13 1xju h TRP 140 CO -0.14 1.08 0.30 0.00 -3.56 0.00 0.00 178.44 176.12 1xju h ALA 141 N 0.85 0.74 0.00 1.49 0.00 -0.98 -1.21 119.26 120.15 1xju h ALA 141 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xju h ALA 141 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xju h ALA 141 CO 0.12 -0.04 -0.23 1.96 0.00 0.00 0.00 179.25 181.06 1xju h GLN 142 N 0.57 0.00 -0.00 0.00 1.08 -0.97 -0.41 115.11 115.38 1xju h GLN 142 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1xju h GLN 142 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1xju h GLN 142 CO -0.17 0.23 -0.03 1.63 -0.95 0.00 0.00 178.83 179.55 1xju n LYS 143 N -4.07 0.87 -1.28 1.46 5.02 -0.92 -4.91 118.16 114.33 1xju n LYS 143 Ca -0.02 -0.16 -0.10 0.00 -2.02 0.00 0.00 58.31 56.01 1xju n LYS 143 Cb 0.30 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1xju n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xju n GLY 144 N 1.15 1.11 3.37 0.72 0.00 -0.17 -4.94 105.19 106.43 1xju n GLY 144 Ca 0.19 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1xju n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xju n GLU 145 N -2.64 3.49 -0.08 1.61 -0.58 -0.51 -4.87 120.64 117.07 1xju n GLU 145 Ca -0.10 -4.06 -0.08 0.00 -0.42 0.00 0.00 57.16 52.51 1xju n GLU 145 Cb 0.32 -2.85 0.08 0.00 -0.57 0.00 0.00 31.44 28.43 1xju n GLU 145 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1xju h TRP 146 N 6.80 0.86 -0.04 -0.32 -0.00 -1.92 -0.98 115.95 120.36 1xju h TRP 146 Ca 0.27 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.89 58.96 1xju h TRP 146 Cb 0.84 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.16 29.80 1xju h TRP 146 CO 0.99 0.93 0.02 0.28 -0.00 0.00 0.00 178.44 180.67 1xju h VAL 147 N 0.65 1.04 -0.63 1.49 2.07 -1.93 0.35 116.25 119.29 1xju h VAL 147 Ca 0.08 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xju h VAL 147 Cb 0.77 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1xju h VAL 147 CO 0.06 0.03 0.40 0.78 0.02 0.00 0.00 177.57 178.86 1xju h ASN 148 N 0.01 0.66 0.17 0.57 2.35 -1.87 -0.98 115.58 116.50 1xju h ASN 148 Ca 0.01 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1xju h ASN 148 Cb 0.03 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1xju h ASN 148 CO -0.00 0.47 -0.27 -0.03 -1.65 0.00 0.00 177.43 175.95 1xju h MET 149 N 0.79 -0.49 -0.99 0.81 4.05 -0.90 -2.59 114.93 115.61 1xju h MET 149 Ca 0.24 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.79 1xju h MET 149 Cb -0.02 0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 30.82 1xju h MET 149 CO -0.08 -0.33 0.63 0.00 0.23 0.00 0.00 176.91 177.36 1xju n ASN 151 N -4.57 0.00 -0.83 0.00 3.02 -0.40 -1.73 115.26 110.76 1xju n ASN 151 Ca 0.17 0.31 0.12 0.00 -0.03 0.00 0.00 54.58 55.15 1xju n ASN 151 Cb 0.26 -0.40 0.26 0.00 -0.61 0.00 0.00 39.78 39.29 1xju n ASN 151 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xju n HIS 152 N -1.40 0.10 -0.36 3.10 8.25 -0.34 -4.36 115.22 120.23 1xju n HIS 152 Ca 0.05 -0.05 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1xju n HIS 152 Cb 0.14 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.46 1xju n HIS 152 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xju h LEU 153 N 3.82 0.98 0.00 2.41 3.38 -1.38 -0.81 115.31 123.71 1xju h LEU 153 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xju h LEU 153 Cb 0.82 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xju h LEU 153 CO 0.00 0.59 0.00 -2.65 0.09 0.00 0.00 178.44 176.47 1xju n PRO 154 N -4.54 0.02 0.20 1.13 -0.02 -1.26 -1.95 135.00 128.58 1xju n PRO 154 Ca 0.17 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1xju n PRO 154 Cb 0.25 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 32.81 1xju n PRO 154 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xju h ASP 155 N 0.00 0.00 -2.41 2.55 3.32 -1.45 -3.37 116.42 115.06 1xju h ASP 155 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1xju h ASP 155 Cb 0.02 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.21 1xju h ASP 155 CO 0.00 0.00 0.03 0.49 -1.72 0.00 0.00 179.24 178.04 1xju n PHE 156 N -2.63 3.24 -0.03 4.55 3.01 -0.82 -4.70 117.46 120.08 1xju n PHE 156 Ca 0.01 -3.44 0.00 0.00 1.01 0.00 0.00 57.45 55.04 1xju n PHE 156 Cb 0.27 -0.83 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 1xju n PHE 156 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1xju n VAL 157 N 0.54 0.77 -3.64 -4.37 0.24 -1.26 -4.90 118.33 105.70 1xju n VAL 157 Ca 0.32 -0.87 -0.34 0.00 -2.04 0.00 0.00 64.34 61.41 1xju n VAL 157 Cb 0.36 0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 33.30 1xju n VAL 157 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1xju s ASN 158 N -0.77 6.58 -0.05 -1.34 0.01 -1.26 -1.39 114.94 116.71 1xju s ASN 158 Ca 0.00 0.69 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 1xju s ASN 158 Cb 0.00 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.55 1xju s ASN 158 CO 0.00 0.18 -0.01 -0.55 -1.51 0.00 0.00 177.10 175.20 1xju s SER 159 N -1.85 0.98 -1.51 -1.22 0.15 -0.29 -4.76 113.70 105.20 1xju s SER 159 Ca 0.33 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.87 1xju s SER 159 Cb -0.13 -0.37 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1xju s SER 159 CO 0.19 -0.12 0.28 0.59 1.20 0.00 0.00 173.24 175.38 1xju n ASN 160 N 4.44 -5.36 0.00 5.45 3.02 -1.26 -2.88 115.26 118.67 1xju n ASN 160 Ca -0.19 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1xju n ASN 160 Cb 0.50 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 1xju n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xju n GLY 161 N -1.18 0.82 3.15 7.41 0.00 -1.26 -5.02 105.19 109.10 1xju n GLY 161 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 1xju n GLY 161 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xju s VAL 162 N -3.23 0.18 0.56 1.61 -7.23 -1.14 -5.01 120.40 106.15 1xju s VAL 162 Ca 0.00 -1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 58.44 1xju s VAL 162 Cb 0.00 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1xju s VAL 162 CO 0.00 -0.82 1.29 -2.84 -0.31 0.00 0.00 175.10 172.43 1xju s PRO 163 N -3.90 3.08 -0.08 4.82 0.02 -1.26 -1.13 135.00 136.55 1xju s PRO 163 Ca 0.07 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.19 1xju s PRO 163 Cb 0.06 -2.14 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1xju s PRO 163 CO -0.10 -1.18 -0.21 -1.17 -0.33 0.00 0.00 177.00 174.01 1xju s LEU 164 N -3.72 2.31 0.20 -5.54 2.96 -0.49 -4.82 118.68 109.59 1xju s LEU 164 Ca 0.74 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 54.06 1xju s LEU 164 Cb -0.36 -1.46 0.21 0.00 0.50 0.00 0.00 46.19 45.08 1xju s LEU 164 CO 0.42 0.22 1.64 -0.09 -1.32 0.00 0.00 176.35 177.21 1xju h ARG 165 N 6.29 0.01 -0.63 1.98 9.65 -1.96 -0.94 114.38 128.78 1xju h ARG 165 Ca -0.29 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1xju h ARG 165 Cb 1.20 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 1xju h ARG 165 CO 0.49 0.01 0.40 0.78 2.80 0.00 0.00 179.97 184.45 1xju h GLY 166 N 0.01 0.90 1.26 2.80 0.00 -1.96 -1.05 103.07 105.03 1xju h GLY 166 Ca 0.28 -0.35 -0.21 0.00 0.00 0.00 0.00 47.33 47.05 1xju h GLY 166 CO -0.59 0.34 -0.74 1.41 0.00 0.00 0.00 176.54 176.95 1xju h LEU 167 N 0.86 0.86 -0.39 3.11 3.38 -1.53 -1.68 115.31 119.93 1xju h LEU 167 Ca 0.23 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.71 1xju h LEU 167 Cb -0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 1xju h LEU 167 CO -0.05 1.34 0.08 0.11 0.09 0.00 0.00 178.44 180.01 1xju h LYS 168 N 0.51 0.20 -0.27 1.13 1.57 -0.58 0.31 116.57 119.43 1xju h LYS 168 Ca -0.04 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1xju h LYS 168 Cb 1.36 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1xju h LYS 168 CO 0.15 0.13 -0.01 0.82 -0.57 0.00 0.00 179.45 179.96 1xju h ILE 169 N 0.20 1.26 -0.50 1.86 2.04 -1.21 -1.92 117.51 119.24 1xju h ILE 169 Ca 0.19 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1xju h ILE 169 Cb 0.22 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1xju h ILE 169 CO -0.24 0.31 0.20 -0.09 0.00 0.00 0.00 178.15 178.32 1xju h ARG 170 N 0.27 0.75 -0.66 2.37 2.43 -1.04 -0.70 114.38 117.80 1xju h ARG 170 Ca 0.08 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1xju h ARG 170 Cb 0.45 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1xju h ARG 170 CO 0.02 0.67 0.30 0.00 -1.51 0.00 0.00 179.97 179.45 1xju h ARG 171 N 0.67 0.94 -0.42 0.20 2.47 -0.90 0.67 114.38 118.00 1xju h ARG 171 Ca 0.17 -0.13 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1xju h ARG 171 Cb 0.20 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1xju h ARG 171 CO -0.01 0.74 -0.18 1.49 0.56 0.00 0.00 179.97 182.57 1xju h GLU 172 N 0.94 0.87 -0.56 0.04 4.57 -0.84 0.97 114.58 120.57 1xju h GLU 172 Ca 0.23 -0.37 -0.11 0.00 -1.18 0.00 0.00 59.36 57.93 1xju h GLU 172 Cb 0.12 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1xju h GLU 172 CO -0.03 1.01 -0.07 0.87 -1.18 0.00 0.00 179.01 179.61 1xju h LYS 173 N 0.69 1.02 -0.66 1.92 1.57 -0.80 -0.41 116.57 119.90 1xju h LYS 173 Ca 0.10 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1xju h LYS 173 Cb 0.74 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1xju h LYS 173 CO 0.06 1.04 0.37 0.93 -0.57 0.00 0.00 179.45 181.28 1xju h GLU 174 N 0.92 0.91 -0.36 3.15 5.08 -0.73 -1.52 114.58 122.02 1xju h GLU 174 Ca 0.15 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1xju h GLU 174 Cb 0.63 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1xju h GLU 174 CO 0.04 0.68 0.20 -0.09 -1.00 0.00 0.00 179.01 178.84 1xju h ARG 175 N 0.90 0.40 -0.69 2.33 2.43 -0.39 0.15 114.38 119.51 1xju h ARG 175 Ca 0.23 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1xju h ARG 175 Cb 0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1xju h ARG 175 CO -0.04 0.26 0.36 1.96 -1.51 0.00 0.00 179.97 181.00 1xju h GLN 176 N 0.41 0.97 0.03 0.20 1.08 -0.87 -0.70 115.11 116.23 1xju h GLN 176 Ca 0.15 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1xju h GLN 176 Cb 0.03 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1xju h GLN 176 CO -0.08 0.74 -0.01 1.25 -0.95 0.00 0.00 178.83 179.78 1xju h LEU 177 N 0.95 -0.03 -0.80 1.46 5.85 -0.90 -2.76 115.31 119.08 1xju h LEU 177 Ca 0.24 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1xju h LEU 177 Cb 0.07 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1xju h LEU 177 CO -0.04 -0.02 0.40 0.00 -0.34 0.00 0.00 178.44 178.45 1xju n LEU 179 N -4.86 0.12 -4.65 0.00 4.77 -0.31 -3.70 117.00 108.37 1xju n LEU 179 Ca 0.14 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 1xju n LEU 179 Cb 0.36 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1xju n LEU 179 CO 0.23 0.03 1.37 -0.89 -1.33 0.00 0.00 177.39 176.79 1xju s THR 180 N -2.76 3.61 0.00 -5.08 2.01 -0.42 -0.58 115.64 112.42 1xju s THR 180 Ca 0.21 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1xju s THR 180 Cb 0.19 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1xju s THR 180 CO 0.51 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1xju n GLY 181 N 4.25 0.65 0.00 4.40 0.00 -1.26 -4.85 105.19 108.39 1xju n GLY 181 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1xju n GLY 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xju n LEU 182 N 0.00 0.28 -4.32 0.99 4.77 0.25 -5.03 117.00 113.94 1xju n LEU 182 Ca 0.00 -0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 55.61 1xju n LEU 182 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1xju n LEU 182 CO 0.00 0.07 -0.25 0.68 -1.33 0.00 0.00 177.39 176.56 1xju s VAL 183 N -2.80 0.57 0.03 4.08 -7.23 -1.14 -4.97 120.40 108.93 1xju s VAL 183 Ca -0.01 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 1xju s VAL 183 Cb 0.10 -2.64 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 1xju s VAL 183 CO 0.62 0.00 1.89 0.21 -0.31 0.00 0.00 175.10 177.52 1xju s ASN 184 N -3.32 6.49 0.66 4.85 3.84 -1.26 -4.84 114.94 121.36 1xju s ASN 184 Ca 0.38 2.60 0.43 0.00 0.21 0.00 0.00 52.86 56.48 1xju s ASN 184 Cb 0.08 -2.53 2.38 0.00 -0.55 0.00 0.00 41.25 40.63 1xju s ASN 184 CO 0.14 -1.02 2.37 -0.33 -2.79 0.00 0.00 177.10 175.46 1xju h GLU 185 N 10.21 0.00 -0.03 0.43 3.07 -1.99 -3.51 114.58 122.77 1xju h GLU 185 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1xju h GLU 185 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1xju h GLU 185 CO 0.94 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 179.27