#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 0.27 -2.14 5.15 -1.04 -1.26 -4.93 114.28 110.32 1xju n THR 30 Ca 0.00 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.67 1xju n THR 30 Cb 0.00 -0.73 0.15 0.00 -1.82 0.00 0.00 70.33 67.94 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 0.28 3.63 0.23 8.00 2.20 -1.26 -4.78 114.94 123.24 1xju s ASN 31 Ca 0.82 0.11 -0.08 0.00 -0.94 0.00 0.00 52.86 52.76 1xju s ASN 31 Cb -0.96 -0.30 0.23 0.00 -2.00 0.00 0.00 41.25 38.22 1xju s ASN 31 CO 0.49 -2.38 1.88 1.56 -2.94 0.00 0.00 177.10 175.72 1xju h GLN 32 N -1.23 1.04 -0.55 3.55 1.08 -1.98 -0.55 115.11 116.46 1xju h GLN 32 Ca -0.42 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 56.68 1xju h GLN 32 Cb 1.25 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 1xju h GLN 32 CO 0.41 0.69 0.19 0.00 -0.95 0.00 0.00 178.83 179.16 1xju h ALA 33 N 1.33 0.72 -0.77 3.87 0.00 -2.00 -1.16 119.26 121.26 1xju h ALA 33 Ca 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1xju h ALA 33 Cb -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1xju h ALA 33 CO -0.10 0.37 0.37 0.78 0.00 0.00 0.00 179.25 180.67 1xju h GLY 34 N 0.77 1.19 2.00 0.00 0.00 -1.73 -2.74 103.07 102.55 1xju h GLY 34 Ca 0.18 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1xju h GLY 34 CO -0.01 0.56 -0.28 1.41 0.00 0.00 0.00 176.54 178.22 1xju h LEU 35 N 1.09 0.00 -0.88 3.11 3.38 -0.82 -1.00 115.31 120.19 1xju h LEU 35 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1xju h LEU 35 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1xju h LEU 35 CO -0.03 0.28 0.22 -0.33 0.09 0.00 0.00 178.44 178.67 1xju h GLU 36 N 0.00 1.05 -0.35 1.13 5.08 -0.92 -0.30 114.58 120.27 1xju h GLU 36 Ca -0.00 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 1xju h GLU 36 Cb 0.50 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xju h GLU 36 CO 0.04 0.89 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.48 1xju h LEU 37 N 1.01 0.95 -0.61 1.33 3.38 -1.16 -3.18 115.31 117.04 1xju h LEU 37 Ca 0.23 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1xju h LEU 37 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xju h LEU 37 CO -0.01 1.23 -0.28 0.40 0.09 0.00 0.00 178.44 179.87 1xju h ILE 38 N 0.69 1.28 -0.07 1.22 2.04 -1.06 -3.49 117.51 118.11 1xju h ILE 38 Ca 0.05 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1xju h ILE 38 Cb 0.98 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1xju h ILE 38 CO 0.09 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.33 1xju n GLY 39 N -0.11 0.17 3.23 5.37 0.00 -0.13 -4.93 105.19 108.78 1xju n GLY 39 Ca -0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 0.54 0.29 1.61 2.20 -1.26 -4.96 114.94 109.36 1xju s ASN 40 Ca 0.00 -1.46 0.01 0.00 -0.94 0.00 0.00 52.86 50.48 1xju s ASN 40 Cb 0.00 0.39 0.45 0.00 -2.00 0.00 0.00 41.25 40.09 1xju s ASN 40 CO 0.00 -0.87 1.80 0.00 -2.94 0.00 0.00 177.10 175.09 1xju h ALA 41 N 2.51 1.20 -0.22 3.54 0.00 -1.92 -0.07 119.26 124.30 1xju h ALA 41 Ca -0.34 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1xju h ALA 41 Cb 1.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xju h ALA 41 CO 0.51 0.52 -0.16 0.93 0.00 0.00 0.00 179.25 181.05 1xju h GLU 42 N 0.60 0.37 -0.71 0.00 3.07 -1.96 -1.30 114.58 114.65 1xju h GLU 42 Ca 0.12 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1xju h GLU 42 Cb 0.44 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1xju h GLU 42 CO 0.02 0.53 0.21 0.78 -1.40 0.00 0.00 179.01 179.15 1xju h GLY 43 N 0.89 1.18 1.38 -3.84 0.00 -1.42 -2.33 103.07 98.94 1xju h GLY 43 Ca 0.06 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1xju h GLY 43 CO 0.03 0.65 0.38 0.00 0.00 0.00 0.00 176.54 177.60 1xju h ARG 45 N 0.84 1.05 0.02 0.00 3.08 -0.89 -3.17 114.38 115.31 1xju h ARG 45 Ca 0.22 -0.28 -0.28 0.00 0.07 0.00 0.00 59.98 59.71 1xju h ARG 45 Cb -0.05 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 1xju h ARG 45 CO -0.04 0.97 -1.57 0.07 -1.07 0.00 0.00 179.97 178.33 1xju h ARG 46 N 0.99 0.03 -3.60 0.04 0.11 -1.18 -3.43 114.38 107.33 1xju h ARG 46 Ca 0.19 -0.06 -0.57 0.00 0.10 0.00 0.00 59.98 59.65 1xju h ARG 46 Cb 0.44 0.02 -0.40 0.00 1.11 0.00 0.00 29.97 31.14 1xju h ARG 46 CO 0.01 0.68 -0.76 0.34 0.10 0.00 0.00 179.97 180.34 1xju s ASP 47 N -6.34 3.73 0.00 0.08 -1.08 0.60 -5.01 116.67 108.66 1xju s ASP 47 Ca -0.05 -1.39 0.18 0.00 -0.52 0.00 0.00 52.55 50.77 1xju s ASP 47 Cb 0.08 -0.81 0.81 0.00 -1.46 0.00 0.00 42.92 41.54 1xju s ASP 47 CO 0.82 -0.37 1.58 -0.81 0.52 0.00 0.00 175.17 176.91 1xju n PRO 48 N 4.89 0.05 0.27 4.34 -0.04 -1.21 -1.21 135.00 142.08 1xju n PRO 48 Ca -0.05 0.17 0.18 0.00 -0.04 0.00 0.00 63.50 63.77 1xju n PRO 48 Cb 0.43 -1.50 0.90 0.00 -0.04 0.00 0.00 33.50 33.29 1xju n PRO 48 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1xju h TYR 49 N 0.00 0.00 -0.00 0.54 -1.99 -1.91 -2.46 116.97 111.14 1xju h TYR 49 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xju h TYR 49 Cb 0.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1xju h TYR 49 CO 0.00 0.00 -0.23 -1.33 -0.00 0.00 0.00 178.16 176.60 1xju n MET 50 N -2.83 0.47 -2.47 4.88 2.81 -0.35 -4.95 117.12 114.67 1xju n MET 50 Ca -0.01 -0.21 -0.34 0.00 -1.81 0.00 0.00 57.70 55.33 1xju n MET 50 Cb 0.13 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 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 -3.29 2.57 0.28 0.00 0.04 -1.26 -4.67 135.00 128.67 1xju s PRO 52 Ca 0.68 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1xju s PRO 52 Cb -0.17 -1.88 0.65 0.00 0.04 0.00 0.00 34.50 33.13 1xju s PRO 52 CO 0.22 -1.51 1.69 0.00 0.04 0.00 0.00 177.00 177.44 1xju h ALA 53 N 0.28 1.29 0.00 8.56 0.00 -1.12 -1.93 119.26 126.34 1xju h ALA 53 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xju h ALA 53 Cb 1.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xju h ALA 53 CO 0.53 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1xju n GLY 54 N -1.34 -0.90 1.00 0.00 0.00 -1.26 -1.92 105.19 100.76 1xju n GLY 54 Ca 0.20 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.96 0.71 -1.79 1.61 0.24 -0.72 -4.64 118.33 111.77 1xju n VAL 55 Ca 0.01 -0.86 -0.40 0.00 -2.04 0.00 0.00 64.34 61.05 1xju n VAL 55 Cb 0.10 0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 33.21 1xju n VAL 55 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1xju n TRP 56 N 1.19 2.56 -0.51 6.34 7.02 -0.81 -4.27 117.44 128.97 1xju n TRP 56 Ca 0.17 -2.91 0.00 0.00 -1.02 0.00 0.00 57.50 53.75 1xju n TRP 56 Cb 0.53 -2.04 0.00 0.00 -2.42 0.00 0.00 31.31 27.38 1xju n TRP 56 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1xju n THR 57 N 2.36 0.29 -2.22 -0.99 -2.24 -1.26 -4.91 114.28 105.30 1xju n THR 57 Ca 0.67 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 61.63 1xju n THR 57 Cb 0.25 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 1xju n THR 57 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xju s ASP 58 N -0.29 6.85 -0.18 3.42 -0.00 -1.26 -3.67 116.67 121.54 1xju s ASP 58 Ca 0.00 2.11 0.00 0.00 -0.00 0.00 0.00 52.55 54.66 1xju s ASP 58 Cb 0.00 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.36 1xju s ASP 58 CO 0.00 -0.73 0.00 0.61 -0.00 0.00 0.00 175.17 175.05 1xju n GLY 59 N 3.66 0.52 1.27 0.21 0.00 -1.26 -4.90 105.19 104.69 1xju n GLY 59 Ca 0.13 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.92 1xju n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xju n ILE 60 N -2.81 1.24 -1.69 -0.61 -5.35 -1.24 -4.99 119.36 103.90 1xju n ILE 60 Ca -0.02 -0.91 -0.38 0.00 -0.27 0.00 0.00 62.75 61.18 1xju n ILE 60 Cb 0.12 0.20 0.06 0.00 -1.74 0.00 0.00 39.64 38.28 1xju n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xju n GLY 61 N 1.19 0.30 1.36 3.28 0.00 -1.26 -5.11 105.19 104.94 1xju n GLY 61 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1xju n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xju n ASN 62 N -1.34 0.35 0.00 1.61 5.03 -1.26 -5.15 115.26 114.50 1xju n ASN 62 Ca 0.14 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1xju n ASN 62 Cb 0.47 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 1xju n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xju n GLY 65 N 2.66 0.42 3.70 7.41 0.00 -1.26 -4.92 105.19 113.20 1xju n GLY 65 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xju n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xju n VAL 66 N 0.00 3.95 -1.17 1.61 0.24 -1.26 -5.16 118.33 116.54 1xju n VAL 66 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.34 61.45 1xju n VAL 66 Cb 0.00 -1.46 0.09 0.00 -1.47 0.00 0.00 33.84 31.00 1xju n VAL 66 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xju n THR 67 N -1.36 1.67 -1.73 3.34 -2.24 -1.26 -4.93 114.28 107.77 1xju n THR 67 Ca 0.12 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 1xju n THR 67 Cb 0.46 -0.85 0.06 0.00 -2.10 0.00 0.00 70.33 67.90 1xju n THR 67 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1xju s PRO 68 N -3.22 2.62 0.05 -0.78 0.02 -1.26 -5.06 135.00 127.37 1xju s PRO 68 Ca 0.66 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 1xju s PRO 68 Cb -0.31 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1xju s PRO 68 CO 0.57 -1.45 -0.03 0.20 -0.33 0.00 0.00 177.00 175.96 1xju s GLY 69 N -2.03 0.47 0.47 0.52 0.00 -1.26 -5.13 107.32 100.36 1xju s GLY 69 Ca 0.73 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.08 1xju s GLY 69 CO 0.40 -1.24 1.27 -1.34 0.00 0.00 0.00 173.10 172.18 1xju s VAL 70 N -3.53 2.62 0.84 1.40 -7.23 -1.26 -5.00 120.40 108.24 1xju s VAL 70 Ca 0.04 0.49 -0.12 0.00 -1.81 0.00 0.00 61.98 60.59 1xju s VAL 70 Cb 0.05 -3.26 0.10 0.00 0.56 0.00 0.00 36.38 33.82 1xju s VAL 70 CO -0.08 0.02 1.12 0.00 -0.31 0.00 0.00 175.10 175.85 1xju s ARG 71 N -2.63 1.73 0.41 4.82 1.70 -1.26 -5.05 118.95 118.67 1xju s ARG 71 Ca 0.64 0.45 -0.22 0.00 -0.47 0.00 0.00 55.73 56.13 1xju s ARG 71 Cb -0.35 -1.89 -0.11 0.00 -0.57 0.00 0.00 34.95 32.03 1xju s ARG 71 CO 0.43 -1.83 0.96 0.15 -1.08 0.00 0.00 175.30 173.93 1xju s LYS 72 N -5.24 4.29 0.65 3.89 1.02 -1.26 -5.07 119.74 118.02 1xju s LYS 72 Ca 0.62 1.19 -0.11 0.00 0.02 0.00 0.00 55.97 57.69 1xju s LYS 72 Cb -0.14 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1xju s LYS 72 CO 0.53 0.02 1.04 0.95 -0.92 0.00 0.00 175.35 176.98 1xju s THR 73 N -2.02 4.36 0.34 2.17 -4.23 -1.26 -4.95 115.64 110.05 1xju s THR 73 Ca 0.59 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 61.95 1xju s THR 73 Cb -0.12 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.38 1xju s THR 73 CO 0.16 -0.96 1.94 0.44 -0.54 0.00 0.00 174.62 175.66 1xju h ASP 74 N -0.39 0.74 -0.03 3.99 3.32 -2.00 -2.07 116.42 119.98 1xju h ASP 74 Ca -0.44 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.51 1xju h ASP 74 Cb 1.20 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1xju h ASP 74 CO 0.59 0.47 -0.30 1.56 -1.72 0.00 0.00 179.24 179.84 1xju h GLN 75 N 0.84 0.49 -0.48 3.56 7.50 -1.99 -0.69 115.11 124.33 1xju h GLN 75 Ca 0.34 -0.20 -0.11 0.00 0.50 0.00 0.00 58.65 59.18 1xju h GLN 75 Cb 0.26 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 1xju h GLN 75 CO -0.12 0.74 -0.11 0.37 -1.50 0.00 0.00 178.83 178.21 1xju h GLN 76 N 0.42 0.93 -0.56 1.46 4.15 -1.82 0.02 115.11 119.72 1xju h GLN 76 Ca 0.05 -0.35 0.03 0.00 0.77 0.00 0.00 58.65 59.15 1xju h GLN 76 Cb 0.74 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 1xju h GLN 76 CO 0.06 1.01 0.34 0.82 -1.93 0.00 0.00 178.83 179.12 1xju h ILE 77 N 0.78 1.06 -0.62 2.39 2.04 -1.02 -0.66 117.51 121.49 1xju h ILE 77 Ca 0.12 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1xju h ILE 77 Cb 0.66 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1xju h ILE 77 CO 0.05 0.12 0.03 0.00 0.00 0.00 0.00 178.15 178.34 1xju h ALA 78 N 1.25 0.83 -0.24 1.87 0.00 -0.90 -2.24 119.26 119.83 1xju h ALA 78 Ca 0.22 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1xju h ALA 78 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xju h ALA 78 CO -0.10 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.64 1xju h ALA 79 N 1.00 1.28 -0.25 0.00 0.00 -0.42 -2.95 119.26 117.92 1xju h ALA 79 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xju h ALA 79 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xju h ALA 79 CO 0.03 0.47 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 1xju n ASP 80 N -4.20 2.59 0.20 0.00 10.43 -0.31 -4.61 116.55 120.65 1xju n ASP 80 Ca -0.00 -1.86 -0.15 0.00 2.57 0.00 0.00 54.79 55.35 1xju n ASP 80 Cb 0.33 -0.16 -0.08 0.00 1.84 0.00 0.00 41.12 43.05 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 3.47 -0.41 -0.60 1.24 2.91 -1.23 0.41 115.95 121.75 1xju h TRP 81 Ca 0.00 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.95 1xju h TRP 81 Cb 0.76 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.52 1xju h TRP 81 CO 0.16 -0.22 0.12 0.93 -1.03 0.00 0.00 178.44 178.39 1xju h GLU 82 N -0.49 0.95 -0.99 2.65 4.39 -1.81 -1.21 114.58 118.07 1xju h GLU 82 Ca -0.04 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.45 1xju h GLU 82 Cb 0.37 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1xju h GLU 82 CO 0.07 0.87 0.65 -0.22 -1.16 0.00 0.00 179.01 179.22 1xju h LYS 83 N 0.90 1.27 -0.09 2.33 3.64 -1.76 -1.24 116.57 121.62 1xju h LYS 83 Ca 0.19 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1xju h LYS 83 Cb 0.37 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1xju h LYS 83 CO 0.01 0.84 -0.54 -0.91 -2.27 0.00 0.00 179.45 176.57 1xju h ASN 84 N 1.30 0.28 -0.66 4.20 2.35 -0.09 -0.31 115.58 122.65 1xju h ASN 84 Ca 0.38 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1xju h ASN 84 Cb -0.09 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1xju h ASN 84 CO -0.10 0.77 0.33 0.40 -1.65 0.00 0.00 177.43 177.18 1xju h ILE 85 N 0.20 1.22 -0.66 2.81 2.04 -0.75 -1.24 117.51 121.13 1xju h ILE 85 Ca 0.00 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1xju h ILE 85 Cb 1.02 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1xju h ILE 85 CO 0.08 0.25 0.38 0.25 0.00 0.00 0.00 178.15 179.12 1xju h LEU 86 N 0.92 0.81 -0.88 1.44 5.85 -0.64 -0.59 115.31 122.22 1xju h LEU 86 Ca 0.23 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1xju h LEU 86 Cb 0.09 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1xju h LEU 86 CO -0.03 0.65 0.23 0.40 -0.34 0.00 0.00 178.44 179.35 1xju h ILE 87 N 0.90 1.25 -0.31 4.05 2.04 -0.90 -0.18 117.51 124.36 1xju h ILE 87 Ca 0.24 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1xju h ILE 87 Cb 0.00 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1xju h ILE 87 CO -0.04 0.33 0.14 0.00 0.00 0.00 0.00 178.15 178.58 1xju h ALA 88 N 1.23 0.41 -0.81 1.87 0.00 -0.65 -0.14 119.26 121.16 1xju h ALA 88 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xju h ALA 88 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1xju h ALA 88 CO -0.01 -0.02 0.52 0.93 0.00 0.00 0.00 179.25 180.67 1xju h GLU 89 N 0.36 1.08 -0.67 0.00 5.08 -0.83 -1.95 114.58 117.65 1xju h GLU 89 Ca 0.11 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1xju h GLU 89 Cb 0.15 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1xju h GLU 89 CO -0.01 0.73 0.19 -0.09 -1.00 0.00 0.00 179.01 178.83 1xju h ARG 90 N 1.10 1.04 -0.18 2.33 2.43 -0.71 -0.09 114.38 120.31 1xju h ARG 90 Ca 0.29 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1xju h ARG 90 Cb -0.10 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.25 1xju h ARG 90 CO -0.06 0.91 -0.13 0.00 -1.51 0.00 0.00 179.97 179.18 1xju h ILE 92 N -0.13 1.23 -0.24 0.00 1.08 -0.93 -0.62 117.51 117.89 1xju h ILE 92 Ca 0.11 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1xju h ILE 92 Cb 0.29 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1xju h ILE 92 CO -0.26 0.29 0.10 0.78 -0.69 0.00 0.00 178.15 178.37 1xju h ASN 93 N 0.74 0.33 0.52 1.72 2.35 -0.76 -0.21 115.58 120.27 1xju h ASN 93 Ca 0.17 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.58 1xju h ASN 93 Cb 0.26 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1xju h ASN 93 CO -0.01 0.40 -0.81 1.56 -1.65 0.00 0.00 177.43 176.92 1xju h GLN 94 N 0.25 0.21 0.00 0.81 1.08 -0.36 -3.33 115.11 113.77 1xju h GLN 94 Ca 0.08 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1xju h GLN 94 Cb 0.16 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1xju h GLN 94 CO -0.01 0.91 0.00 0.72 -0.95 0.00 0.00 178.83 179.50 1xju n HIS 95 N -3.71 0.00 -1.14 2.96 8.25 -0.25 -4.71 115.22 116.62 1xju n HIS 95 Ca -0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.45 1xju n HIS 95 Cb 0.76 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.66 0.00 -2.89 4.41 3.72 -0.50 -4.86 117.46 116.68 1xju n PHE 96 Ca 0.00 -0.34 -0.21 0.00 -0.05 0.00 0.00 57.45 56.85 1xju n PHE 96 Cb 0.01 -0.06 0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1xju n PHE 96 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1xju n ARG 97 N -0.45 -4.22 -0.33 -1.08 1.74 -1.07 -4.67 116.66 106.58 1xju n ARG 97 Ca 0.04 0.88 0.14 0.00 -0.77 0.00 0.00 57.85 58.14 1xju n ARG 97 Cb 0.55 -5.62 0.36 0.00 -1.02 0.00 0.00 32.46 26.73 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 -1.13 1.54 2.00 -0.13 0.00 -1.19 -0.50 103.07 103.67 1xju h GLY 98 Ca -0.50 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 1xju h GLY 98 CO 0.54 -0.03 -0.02 0.50 0.00 0.00 0.00 176.54 177.54 1xju h LYS 99 N 0.69 0.00 -0.00 4.80 1.57 -1.84 -1.93 116.57 119.87 1xju h LYS 99 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1xju h LYS 99 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xju h LYS 99 CO -0.32 0.02 -0.53 -0.25 -0.57 0.00 0.00 179.45 177.79 1xju n ASP 100 N -3.18 0.60 -4.83 0.86 8.00 -0.20 -4.94 116.55 112.85 1xju n ASP 100 Ca -0.02 -0.38 -0.32 0.00 0.71 0.00 0.00 54.79 54.78 1xju n ASP 100 Cb 0.17 0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 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 -2.96 3.96 0.86 -1.24 -1.94 -0.73 -5.06 119.30 112.18 1xju s MET 101 Ca 0.12 1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 55.00 1xju s MET 101 Cb 0.17 -2.14 0.11 0.00 2.01 0.00 0.00 34.83 34.99 1xju s MET 101 CO 0.70 -0.27 1.10 -2.14 -0.01 0.00 0.00 175.02 174.41 1xju s PRO 102 N -3.89 1.54 0.31 2.03 0.02 -1.26 -4.80 135.00 128.95 1xju s PRO 102 Ca 0.60 1.17 0.01 0.00 0.02 0.00 0.00 61.00 62.79 1xju s PRO 102 Cb -0.10 -1.82 0.53 0.00 0.02 0.00 0.00 34.50 33.13 1xju s PRO 102 CO 0.28 -2.14 1.93 -0.44 -0.33 0.00 0.00 177.00 176.29 1xju h ASP 103 N -1.49 0.90 -0.21 2.53 3.32 -1.97 -1.15 116.42 118.34 1xju h ASP 103 Ca -0.46 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1xju h ASP 103 Cb 1.26 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1xju h ASP 103 CO 0.50 0.59 -0.04 0.78 -1.72 0.00 0.00 179.24 179.34 1xju h ASN 104 N 1.03 0.41 -0.50 6.45 2.35 -1.88 -0.01 115.58 123.43 1xju h ASN 104 Ca 0.37 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1xju h ASN 104 Cb 0.14 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1xju h ASN 104 CO -0.13 0.67 0.24 0.00 -1.65 0.00 0.00 177.43 176.56 1xju h ALA 105 N 0.75 0.64 -0.62 -0.83 0.00 -1.62 -0.10 119.26 117.48 1xju h ALA 105 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xju h ALA 105 Cb 0.49 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1xju h ALA 105 CO 0.02 0.20 0.35 0.35 0.00 0.00 0.00 179.25 180.17 1xju h PHE 106 N 0.66 0.64 -0.30 0.00 3.57 -1.06 0.15 116.94 120.60 1xju h PHE 106 Ca 0.17 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.52 1xju h PHE 106 Cb 0.12 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1xju h PHE 106 CO -0.01 0.33 -0.50 0.77 -2.23 0.00 0.00 178.31 176.67 1xju h SER 107 N 0.66 0.94 -0.54 0.41 0.02 -0.63 -0.32 113.55 114.08 1xju h SER 107 Ca 0.27 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1xju h SER 107 Cb 0.13 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1xju h SER 107 CO -0.15 1.27 0.23 0.00 -1.14 0.00 0.00 176.83 177.04 1xju h ALA 108 N 0.75 0.70 -0.32 3.77 0.00 -0.79 -1.51 119.26 121.86 1xju h ALA 108 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1xju h ALA 108 Cb 1.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xju h ALA 108 CO 0.11 0.30 -0.25 0.52 0.00 0.00 0.00 179.25 179.93 1xju h MET 109 N 0.73 0.64 -0.34 0.00 2.07 -0.82 -1.75 114.93 115.46 1xju h MET 109 Ca 0.18 -0.25 -0.02 0.00 -2.07 0.00 0.00 59.70 57.54 1xju h MET 109 Cb 0.17 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.85 1xju h MET 109 CO -0.02 0.83 0.15 1.15 1.07 0.00 0.00 176.91 180.09 1xju h THR 110 N 0.56 1.17 -0.44 2.22 2.02 -0.88 -0.14 112.91 117.42 1xju h THR 110 Ca 0.08 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 66.82 1xju h THR 110 Cb 0.72 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1xju h THR 110 CO 0.06 0.18 0.08 -1.28 0.37 0.00 0.00 175.52 174.93 1xju h SER 111 N 0.41 -0.01 -0.59 4.18 0.87 -0.99 0.93 113.55 118.34 1xju h SER 111 Ca 0.12 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1xju h SER 111 Cb 0.15 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1xju h SER 111 CO -0.01 0.03 0.26 0.00 -0.53 0.00 0.00 176.83 176.58 1xju h ALA 112 N 1.34 0.77 -0.50 6.23 0.00 -0.94 -1.72 119.26 124.44 1xju h ALA 112 Ca 0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xju h ALA 112 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xju h ALA 112 CO -0.29 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 1xju h ALA 113 N 1.10 1.01 -0.46 0.00 0.00 -0.57 0.11 119.26 120.46 1xju h ALA 113 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xju h ALA 113 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xju h ALA 113 CO -0.02 0.61 0.28 0.35 0.00 0.00 0.00 179.25 180.46 1xju h PHE 114 N 0.79 0.60 0.12 0.00 3.04 -0.49 0.54 116.94 121.54 1xju h PHE 114 Ca 0.15 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.82 1xju h PHE 114 Cb 0.52 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 38.84 1xju h PHE 114 CO 0.03 0.42 -1.20 -0.97 -2.02 0.00 0.00 178.31 174.56 1xju h ASN 115 N 0.61 0.53 0.00 0.41 -0.00 -0.99 -1.24 115.58 114.90 1xju h ASN 115 Ca 0.16 -0.53 0.00 0.00 -0.00 0.00 0.00 56.30 55.94 1xju h ASN 115 Cb -0.01 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.14 1xju h ASN 115 CO -0.03 1.39 -1.30 0.23 -0.00 0.00 0.00 177.43 177.71 1xju n MET 116 N -3.62 0.81 0.00 6.67 2.81 0.36 -3.00 117.12 121.14 1xju n MET 116 Ca -0.09 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1xju n MET 116 Cb 0.99 -1.19 0.00 0.00 -0.71 0.00 0.00 33.22 32.31 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 1.84 -0.60 0.15 3.03 0.00 0.18 -4.49 105.19 105.30 1xju n GLY 117 Ca -0.01 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 0.22 0.97 0.16 0.00 2.35 -1.96 -0.95 115.58 116.37 1xju h ASN 119 Ca 0.08 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1xju h ASN 119 Cb 0.31 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1xju h ASN 119 CO 0.00 0.65 -0.11 0.28 -1.65 0.00 0.00 177.43 176.61 1xju h SER 120 N 1.12 0.00 1.32 5.81 0.02 -1.76 -2.01 113.55 118.05 1xju h SER 120 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1xju h SER 120 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1xju h SER 120 CO -0.13 0.11 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.20 1xju h LEU 121 N 0.00 0.00 0.11 5.07 3.38 -1.11 -3.38 115.31 119.38 1xju h LEU 121 Ca -0.00 -0.07 -0.33 0.00 0.09 0.00 0.00 57.88 57.58 1xju h LEU 121 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xju h LEU 121 CO 0.01 0.03 -1.74 0.03 0.09 0.00 0.00 178.44 176.87 1xju h ARG 122 N 0.00 0.24 -4.35 1.13 3.08 -0.73 -3.38 114.38 110.37 1xju h ARG 122 Ca 0.00 -0.41 -0.17 0.00 0.07 0.00 0.00 59.98 59.47 1xju h ARG 122 Cb 0.86 0.15 -0.15 0.00 0.08 0.00 0.00 29.97 30.91 1xju h ARG 122 CO 0.00 1.19 -0.60 0.95 -1.07 0.00 0.00 179.97 180.45 1xju s THR 123 N -2.51 0.09 0.06 2.04 -4.23 -0.96 -2.09 115.64 108.04 1xju s THR 123 Ca -0.22 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 1xju s THR 123 Cb 0.06 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 1xju s THR 123 CO 0.75 -0.42 0.12 -0.72 -0.54 0.00 0.00 174.62 173.81 1xju s TYR 124 N -4.04 0.24 -0.28 3.99 1.13 -0.30 -4.52 117.35 113.56 1xju s TYR 124 Ca 0.24 -0.64 -0.22 0.00 -1.41 0.00 0.00 57.07 55.04 1xju s TYR 124 Cb 0.07 -0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.77 1xju s TYR 124 CO 0.02 -0.45 0.72 -0.47 -2.51 0.00 0.00 175.55 172.86 1xju s TYR 125 N -3.39 3.25 -0.38 -3.49 6.14 -1.26 -0.67 117.35 117.54 1xju s TYR 125 Ca 0.02 0.83 -0.21 0.00 0.64 0.00 0.00 57.07 58.35 1xju s TYR 125 Cb 0.03 -3.03 0.01 0.00 0.42 0.00 0.00 41.96 39.39 1xju s TYR 125 CO -0.08 -0.45 0.65 0.45 0.64 0.00 0.00 175.55 176.76 1xju s SER 126 N 1.53 6.40 0.22 4.32 0.15 0.44 -4.94 113.70 121.81 1xju s SER 126 Ca 0.30 0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.90 1xju s SER 126 Cb -0.15 -2.33 0.19 0.00 -1.71 0.00 0.00 66.02 62.03 1xju s SER 126 CO 0.10 -0.66 1.68 0.50 1.20 0.00 0.00 173.24 176.06 1xju h LYS 127 N 8.60 0.90 -0.58 5.44 3.64 -1.95 0.82 116.57 133.43 1xju h LYS 127 Ca -0.26 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1xju h LYS 127 Cb 1.11 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1xju h LYS 127 CO 0.86 0.93 0.30 0.00 -2.27 0.00 0.00 179.45 179.27 1xju h ALA 128 N 1.11 1.44 0.00 5.00 0.00 -1.95 -2.87 119.26 121.98 1xju h ALA 128 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xju h ALA 128 Cb 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xju h ALA 128 CO 0.03 0.46 -1.16 0.54 0.00 0.00 0.00 179.25 179.12 1xju n ARG 129 N -4.38 0.12 -2.28 0.00 1.74 -1.17 -5.00 116.66 105.70 1xju n ARG 129 Ca 0.05 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.02 1xju n ARG 129 Cb 0.11 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.46 0.09 3.75 -0.13 0.00 0.24 -5.00 105.19 105.60 1xju n GLY 130 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.58 1.09 0.07 1.61 0.23 -0.96 -4.99 119.30 111.77 1xju s MET 131 Ca 0.04 -0.62 -0.30 0.00 -1.03 0.00 0.00 55.69 53.77 1xju s MET 131 Cb -0.02 0.36 -0.06 0.00 -1.53 0.00 0.00 34.83 33.59 1xju s MET 131 CO 0.04 -0.50 1.18 0.50 -2.03 0.00 0.00 175.02 174.21 1xju s ARG 132 N -3.02 4.45 0.18 3.16 3.52 -1.26 -0.42 118.95 125.56 1xju s ARG 132 Ca 0.14 1.75 0.03 0.00 -0.13 0.00 0.00 55.73 57.52 1xju s ARG 132 Cb -0.01 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1xju s ARG 132 CO 0.02 -0.22 -0.05 0.14 -0.81 0.00 0.00 175.30 174.39 1xju s VAL 133 N 0.93 0.99 0.31 7.11 -7.23 0.15 -4.93 120.40 117.74 1xju s VAL 133 Ca 0.57 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1xju s VAL 133 Cb -0.29 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 1xju s VAL 133 CO 0.30 -0.56 1.28 -0.70 -0.31 0.00 0.00 175.10 175.10 1xju s GLU 134 N -3.83 4.40 0.55 4.82 2.12 -1.26 -1.15 118.70 124.35 1xju s GLU 134 Ca 0.22 2.15 -0.18 0.00 0.36 0.00 0.00 54.97 57.52 1xju s GLU 134 Cb 0.04 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.28 1xju s GLU 134 CO 0.03 -0.14 1.05 0.95 -0.54 0.00 0.00 175.26 176.62 1xju s THR 135 N -1.04 3.79 0.26 -1.70 -4.23 -0.89 -4.78 115.64 107.05 1xju s THR 135 Ca 0.49 0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 61.91 1xju s THR 135 Cb -0.38 -3.41 0.24 0.00 1.34 0.00 0.00 72.50 70.29 1xju s THR 135 CO 0.50 -0.40 1.92 0.28 -0.54 0.00 0.00 174.62 176.38 1xju h SER 136 N 0.89 1.06 -0.96 3.99 0.02 -1.92 -1.44 113.55 115.18 1xju h SER 136 Ca -0.48 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1xju h SER 136 Cb 1.22 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 1xju h SER 136 CO 0.58 0.80 0.64 -0.29 -1.14 0.00 0.00 176.83 177.41 1xju h ILE 137 N 1.22 1.24 -0.40 3.27 2.10 -1.88 -0.91 117.51 122.16 1xju h ILE 137 Ca 0.32 -0.45 -0.09 0.00 1.08 0.00 0.00 64.86 65.72 1xju h ILE 137 Cb -0.07 -0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 35.48 1xju h ILE 137 CO -0.06 0.24 -0.11 -0.74 -1.08 0.00 0.00 178.15 176.40 1xju h HIS 138 N 1.30 0.88 -0.30 2.19 2.76 -1.64 -1.52 115.15 118.82 1xju h HIS 138 Ca 0.35 -0.19 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1xju h HIS 138 Cb -0.15 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 28.54 1xju h HIS 138 CO -0.00 0.91 -0.06 0.87 -1.30 0.00 0.00 177.93 178.36 1xju h LYS 139 N 0.60 0.02 -0.34 5.26 1.57 -0.65 -0.95 116.57 122.08 1xju h LYS 139 Ca 0.10 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 1xju h LYS 139 Cb 0.64 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1xju h LYS 139 CO 0.04 0.01 -0.35 -1.49 -0.57 0.00 0.00 179.45 177.09 1xju h TRP 140 N 0.02 0.91 -0.96 -1.35 -0.00 -1.12 -2.88 115.95 110.57 1xju h TRP 140 Ca 0.14 -0.26 0.00 0.00 -0.00 0.00 0.00 58.89 58.78 1xju h TRP 140 Cb 0.21 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 29.13 1xju h TRP 140 CO -0.27 1.01 0.61 0.00 -0.00 0.00 0.00 178.44 179.80 1xju h ALA 141 N 0.95 1.22 0.00 1.49 0.00 -0.99 -1.50 119.26 120.44 1xju h ALA 141 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xju h ALA 141 Cb 0.90 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xju h ALA 141 CO 0.08 0.64 -0.09 1.96 0.00 0.00 0.00 179.25 181.84 1xju h GLN 142 N 1.31 0.00 -0.06 0.00 1.08 -1.00 -0.83 115.11 115.61 1xju h GLN 142 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1xju h GLN 142 Cb -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1xju h GLN 142 CO -0.07 0.09 0.00 1.63 -0.95 0.00 0.00 178.83 179.53 1xju n LYS 143 N -3.44 1.84 -1.33 1.46 5.02 -0.76 -4.94 118.16 116.01 1xju n LYS 143 Ca -0.01 -1.23 -0.11 0.00 -2.02 0.00 0.00 58.31 54.93 1xju n LYS 143 Cb 0.24 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.22 1.24 3.27 0.72 0.00 -0.32 -4.92 105.19 106.40 1xju n GLY 144 Ca 0.18 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.63 3.57 -0.10 1.61 -0.58 -0.64 -4.86 120.64 117.01 1xju n GLU 145 Ca -0.11 -3.98 -0.09 0.00 -0.42 0.00 0.00 57.16 52.55 1xju n GLU 145 Cb 0.38 -2.86 0.05 0.00 -0.57 0.00 0.00 31.44 28.44 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 6.58 0.96 -0.27 -0.32 -0.00 -1.91 -1.00 115.95 119.99 1xju h TRP 146 Ca 0.29 -0.24 0.04 0.00 -0.00 0.00 0.00 58.89 58.98 1xju h TRP 146 Cb 0.80 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.70 1xju h TRP 146 CO 1.05 1.00 0.05 0.28 -0.00 0.00 0.00 178.44 180.82 1xju h VAL 147 N 0.71 0.87 -0.71 1.49 2.07 -1.93 0.12 116.25 118.87 1xju h VAL 147 Ca 0.09 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1xju h VAL 147 Cb 0.81 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1xju h VAL 147 CO 0.07 0.03 0.25 0.78 0.02 0.00 0.00 177.57 178.71 1xju h ASN 148 N 0.15 1.01 0.14 0.57 2.35 -1.87 -0.82 115.58 117.12 1xju h ASN 148 Ca 0.12 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1xju h ASN 148 Cb 0.13 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1xju h ASN 148 CO -0.16 0.94 -0.30 -0.03 -1.65 0.00 0.00 177.43 176.22 1xju h MET 149 N 1.03 -0.52 -0.84 0.81 4.05 -0.84 -2.69 114.93 115.94 1xju h MET 149 Ca 0.23 0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.80 1xju h MET 149 Cb 0.27 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.10 1xju h MET 149 CO -0.01 -0.35 0.47 0.00 0.23 0.00 0.00 176.91 177.25 1xju n ASN 151 N -4.79 0.23 -0.77 0.00 3.02 -0.34 -1.74 115.26 110.86 1xju n ASN 151 Ca 0.15 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.39 1xju n ASN 151 Cb 0.34 -0.61 0.28 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.76 0.05 -0.26 3.10 8.25 -0.33 -4.40 115.22 119.86 1xju n HIS 152 Ca 0.02 -0.03 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1xju n HIS 152 Cb 0.16 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.43 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 3.67 0.52 0.00 2.41 3.38 -1.32 -0.94 115.31 123.03 1xju h LEU 153 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xju h LEU 153 Cb 0.78 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xju h LEU 153 CO 0.00 0.29 0.00 -2.65 0.09 0.00 0.00 178.44 176.17 1xju n PRO 154 N -4.83 0.46 0.00 1.13 -0.02 -1.26 -2.27 135.00 128.20 1xju n PRO 154 Ca 0.12 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1xju n PRO 154 Cb 0.29 -1.04 0.65 0.00 -0.02 0.00 0.00 33.50 33.38 1xju n PRO 154 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xju n ASP 155 N -0.54 0.00 -3.81 2.55 8.00 -0.36 -4.45 116.55 117.94 1xju n ASP 155 Ca 0.01 0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.30 1xju n ASP 155 Cb 0.00 -0.34 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 1xju n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xju n PHE 156 N -1.34 3.28 -0.89 1.24 3.01 -0.96 -4.83 117.46 116.96 1xju n PHE 156 Ca 0.11 -4.28 0.04 0.00 1.01 0.00 0.00 57.45 54.33 1xju n PHE 156 Cb 0.24 -0.61 0.05 0.00 -0.01 0.00 0.00 39.48 39.16 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 1.77 1.03 -4.24 -4.37 0.24 -1.26 -4.80 118.33 106.70 1xju n VAL 157 Ca 0.22 -1.18 -0.31 0.00 -2.04 0.00 0.00 64.34 61.03 1xju n VAL 157 Cb 0.36 0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.58 4.85 -0.09 -1.34 0.01 -1.26 -0.96 114.94 114.58 1xju s ASN 158 Ca 0.12 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.11 1xju s ASN 158 Cb 0.11 -1.14 0.02 0.00 0.41 0.00 0.00 41.25 40.65 1xju s ASN 158 CO 0.01 0.21 -0.12 -0.55 -1.51 0.00 0.00 177.10 175.15 1xju s SER 159 N -1.99 2.01 -1.52 -1.22 0.15 0.11 -4.74 113.70 106.49 1xju s SER 159 Ca 0.22 -0.33 -0.13 0.00 0.70 0.00 0.00 55.95 56.41 1xju s SER 159 Cb -0.11 -0.88 0.09 0.00 -1.71 0.00 0.00 66.02 63.41 1xju s SER 159 CO 0.14 -0.01 0.85 -3.20 1.20 0.00 0.00 173.24 172.22 1xju n ASN 160 N 4.20 -4.49 0.00 5.45 5.15 -1.26 -1.19 115.26 123.12 1xju n ASN 160 Ca -0.19 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 1xju n ASN 160 Cb 0.51 -3.61 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 1xju n ASN 160 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xju n GLY 161 N -1.54 0.79 3.53 8.20 0.00 -1.26 -5.00 105.19 109.90 1xju n GLY 161 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1xju n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xju s VAL 162 N -3.30 4.62 0.29 1.61 1.01 -0.33 -5.02 120.40 119.27 1xju s VAL 162 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1xju s VAL 162 Cb 0.00 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 1xju s VAL 162 CO 0.00 0.36 1.29 -2.16 0.00 0.00 0.00 175.10 174.59 1xju s PRO 163 N 1.24 4.40 -0.09 2.72 0.04 -1.26 -0.72 135.00 141.33 1xju s PRO 163 Ca 0.05 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.23 1xju s PRO 163 Cb -0.14 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1xju s PRO 163 CO 0.04 -0.16 -0.09 -0.51 0.04 0.00 0.00 177.00 176.32 1xju s LEU 164 N -1.24 1.36 0.26 -3.56 1.43 -0.14 -4.92 118.68 111.87 1xju s LEU 164 Ca 0.51 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1xju s LEU 164 Cb -0.38 -0.80 0.43 0.00 0.03 0.00 0.00 46.19 45.47 1xju s LEU 164 CO 0.47 -0.06 1.83 -0.09 0.23 0.00 0.00 176.35 178.73 1xju h ARG 165 N 7.65 0.87 -0.24 1.70 2.43 -1.96 -1.44 114.38 123.39 1xju h ARG 165 Ca -0.31 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1xju h ARG 165 Cb 1.15 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1xju h ARG 165 CO 0.43 0.57 0.14 0.78 -1.51 0.00 0.00 179.97 180.39 1xju h GLY 166 N 0.89 0.34 1.49 2.80 0.00 -1.96 -1.33 103.07 105.32 1xju h GLY 166 Ca 0.42 -0.14 -0.20 0.00 0.00 0.00 0.00 47.33 47.42 1xju h GLY 166 CO -0.24 0.13 -0.77 1.41 0.00 0.00 0.00 176.54 177.08 1xju h LEU 167 N 0.33 0.60 -0.52 3.11 3.38 -1.56 -2.74 115.31 117.90 1xju h LEU 167 Ca 0.09 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xju h LEU 167 Cb -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1xju h LEU 167 CO -0.02 1.16 0.31 0.50 0.09 0.00 0.00 178.44 180.48 1xju h LYS 168 N 0.33 0.70 -0.27 1.13 3.64 -0.79 -0.37 116.57 120.96 1xju h LYS 168 Ca -0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1xju h LYS 168 Cb 1.36 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1xju h LYS 168 CO 0.14 0.51 0.17 0.82 -2.27 0.00 0.00 179.45 178.82 1xju h ILE 169 N 0.69 1.08 -0.03 2.00 2.04 -1.30 -1.39 117.51 120.61 1xju h ILE 169 Ca 0.19 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1xju h ILE 169 Cb -0.01 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1xju h ILE 169 CO -0.03 0.08 -0.16 -0.09 0.00 0.00 0.00 178.15 177.95 1xju h ARG 170 N 0.35 -0.23 -0.91 2.37 9.65 -1.24 -1.12 114.38 123.25 1xju h ARG 170 Ca 0.10 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1xju h ARG 170 Cb -0.02 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 1xju h ARG 170 CO -0.02 -0.16 0.60 0.00 2.80 0.00 0.00 179.97 183.19 1xju h ARG 171 N -0.24 1.12 -0.36 0.20 2.47 -0.84 -1.04 114.38 115.69 1xju h ARG 171 Ca 0.06 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.57 1xju h ARG 171 Cb 0.32 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1xju h ARG 171 CO -0.17 0.74 -0.34 0.93 0.56 0.00 0.00 179.97 181.69 1xju h GLU 172 N 1.15 0.82 -0.51 0.04 5.08 -0.84 0.00 114.58 120.33 1xju h GLU 172 Ca 0.36 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1xju h GLU 172 Cb -0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xju h GLU 172 CO -0.10 1.03 -0.03 0.87 -1.00 0.00 0.00 179.01 179.78 1xju h LYS 173 N 0.69 0.92 -0.80 2.33 1.57 -0.93 -1.71 116.57 118.63 1xju h LYS 173 Ca 0.07 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1xju h LYS 173 Cb 0.89 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 1xju h LYS 173 CO 0.08 0.96 0.53 0.93 -0.57 0.00 0.00 179.45 181.37 1xju h GLU 174 N 0.78 1.03 -0.75 3.15 5.08 -1.04 -2.34 114.58 120.50 1xju h GLU 174 Ca 0.14 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xju h GLU 174 Cb 0.56 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1xju h GLU 174 CO 0.03 0.68 0.49 -0.09 -1.00 0.00 0.00 179.01 179.12 1xju h ARG 175 N 1.06 0.99 -0.55 2.33 2.43 -0.63 0.97 114.38 120.99 1xju h ARG 175 Ca 0.30 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1xju h ARG 175 Cb -0.09 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.21 1xju h ARG 175 CO -0.07 0.66 -0.04 1.96 -1.51 0.00 0.00 179.97 180.97 1xju h GLN 176 N 1.02 0.97 -0.10 0.20 1.08 -1.07 -1.19 115.11 116.01 1xju h GLN 176 Ca 0.27 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1xju h GLN 176 Cb -0.11 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1xju h GLN 176 CO -0.06 0.98 0.07 1.25 -0.95 0.00 0.00 178.83 180.12 1xju h LEU 177 N 0.88 0.12 -0.83 1.46 5.85 -1.00 -2.96 115.31 118.84 1xju h LEU 177 Ca 0.15 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1xju h LEU 177 Cb 0.57 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1xju h LEU 177 CO 0.03 0.10 0.44 0.00 -0.34 0.00 0.00 178.44 178.68 1xju n LEU 179 N -4.82 0.19 -4.66 0.00 4.77 -0.49 -3.82 117.00 108.16 1xju n LEU 179 Ca 0.15 0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 56.20 1xju n LEU 179 Cb 0.36 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1xju n LEU 179 CO 0.23 -0.03 1.27 -0.89 -1.33 0.00 0.00 177.39 176.64 1xju s THR 180 N -3.02 3.76 0.00 -5.08 2.01 -0.54 -1.04 115.64 111.72 1xju s THR 180 Ca 0.13 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.08 1xju s THR 180 Cb 0.18 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1xju s THR 180 CO 0.55 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1xju n GLY 181 N 3.95 1.53 0.03 4.40 0.00 -1.26 -4.84 105.19 108.99 1xju n GLY 181 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 0.57 -4.28 0.99 4.77 -0.21 -4.98 117.00 113.87 1xju n LEU 182 Ca 0.00 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.77 1xju n LEU 182 Cb 0.00 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 1xju n LEU 182 CO 0.00 0.05 -0.34 0.68 -1.33 0.00 0.00 177.39 176.45 1xju s VAL 183 N -3.23 0.87 -0.12 4.08 -7.23 -1.23 -4.98 120.40 108.57 1xju s VAL 183 Ca 0.02 -2.01 -0.35 0.00 -1.81 0.00 0.00 61.98 57.84 1xju s VAL 183 Cb 0.14 -2.18 -0.12 0.00 0.56 0.00 0.00 36.38 34.79 1xju s VAL 183 CO 0.83 -0.45 1.89 -3.20 -0.31 0.00 0.00 175.10 173.87 1xju n ASN 184 N -0.31 3.33 0.16 4.85 2.85 -1.26 -4.85 115.26 120.04 1xju n ASN 184 Ca -0.06 0.94 0.13 0.00 -0.11 0.00 0.00 54.58 55.48 1xju n ASN 184 Cb 0.63 -1.35 0.57 0.00 1.24 0.00 0.00 39.78 40.87 1xju n ASN 184 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xju h GLU 185 N 9.33 0.00 0.00 1.20 3.07 -1.98 -3.51 114.58 122.69 1xju h GLU 185 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1xju h GLU 185 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1xju h GLU 185 CO 0.95 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 179.28