#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhj s THR 3 N 0.00 2.66 0.41 0.00 2.01 -1.26 -4.99 115.64 114.48 1jhj s THR 3 Ca 0.00 -3.30 0.17 0.00 0.31 0.00 0.00 61.69 58.87 1jhj s THR 3 Cb 0.00 -2.84 0.38 0.00 0.01 0.00 0.00 72.50 70.05 1jhj s THR 3 CO 0.00 -0.80 1.84 1.55 -0.69 0.00 0.00 174.62 176.52 1jhj h PRO 4 N 6.53 0.41 -0.70 4.92 0.13 -2.04 -1.61 132.00 139.64 1jhj h PRO 4 Ca -0.08 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.86 1jhj h PRO 4 Cb 0.89 -0.09 -0.10 0.00 0.13 0.00 0.00 31.00 31.83 1jhj h PRO 4 CO 0.69 0.27 0.21 0.27 -0.23 0.00 0.00 178.00 179.21 1jhj n ASN 5 N -4.53 5.04 -4.75 1.44 6.94 -1.26 -4.97 115.26 113.17 1jhj n ASN 5 Ca 0.20 -3.17 -0.35 0.00 -0.02 0.00 0.00 54.58 51.24 1jhj n ASN 5 Cb 0.72 -0.73 0.05 0.00 -2.36 0.00 0.00 39.78 37.46 1jhj n ASN 5 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1jhj s LYS 6 N -2.95 2.76 0.02 -3.83 -2.85 -0.61 -4.76 119.74 107.52 1jhj s LYS 6 Ca 0.55 1.79 -0.30 0.00 -1.00 0.00 0.00 55.97 57.01 1jhj s LYS 6 Cb 0.44 -1.91 -0.07 0.00 -2.06 0.00 0.00 37.83 34.23 1jhj s LYS 6 CO 0.14 -1.36 1.64 0.99 0.10 0.00 0.00 175.35 176.85 1jhj s THR 7 N -1.72 3.29 0.39 3.79 2.01 -0.02 -4.95 115.64 118.44 1jhj s THR 7 Ca 0.76 0.61 -0.27 0.00 0.31 0.00 0.00 61.69 63.11 1jhj s THR 7 Cb -0.30 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1jhj s THR 7 CO 0.37 -0.02 1.33 -2.84 -0.69 0.00 0.00 174.62 172.77 1jhj s PRO 8 N 3.14 4.02 0.39 4.92 0.02 -1.26 -4.45 135.00 141.78 1jhj s PRO 8 Ca 0.73 2.23 -0.26 0.00 0.02 0.00 0.00 61.00 63.73 1jhj s PRO 8 Cb -0.37 -2.82 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 1jhj s PRO 8 CO 0.31 -0.48 1.17 -1.25 -0.33 0.00 0.00 177.00 176.43 1jhj s PRO 9 N -2.17 4.10 0.40 5.54 0.04 -1.26 -4.94 135.00 136.70 1jhj s PRO 9 Ca 0.56 1.85 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 1jhj s PRO 9 Cb -0.40 -2.72 0.08 0.00 0.04 0.00 0.00 34.50 31.51 1jhj s PRO 9 CO 0.52 -0.28 0.55 0.41 0.04 0.00 0.00 177.00 178.23 1jhj n GLY 10 N 0.66 0.67 3.79 0.56 0.00 0.84 -4.95 105.19 106.75 1jhj n GLY 10 Ca 0.04 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 1jhj n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhj s ALA 11 N -3.01 2.72 -0.02 4.61 0.00 -1.26 -4.50 121.76 120.30 1jhj s ALA 11 Ca 0.36 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1jhj s ALA 11 Cb -0.02 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1jhj s ALA 11 CO 0.24 -0.73 1.37 0.34 0.00 0.00 0.00 175.76 176.98 1jhj s ASP 12 N -2.18 6.88 0.57 0.00 -1.08 -1.26 -4.80 116.67 114.80 1jhj s ASP 12 Ca 0.68 2.05 0.27 0.00 -0.52 0.00 0.00 52.55 55.03 1jhj s ASP 12 Cb -0.20 -2.56 1.51 0.00 -1.46 0.00 0.00 42.92 40.22 1jhj s ASP 12 CO 0.29 -0.70 2.03 -0.65 0.52 0.00 0.00 175.17 176.66 1jhj h PRO 13 N 7.82 0.00 -0.82 4.34 0.11 -2.00 -0.52 132.00 140.94 1jhj h PRO 13 Ca -0.37 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 1jhj h PRO 13 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1jhj h PRO 13 CO 0.90 0.00 0.42 0.87 -0.21 0.00 0.00 178.00 179.98 1jhj h LYS 14 N 0.00 1.15 -0.93 1.05 1.57 -1.99 -0.74 116.57 116.68 1jhj h LYS 14 Ca 0.16 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1jhj h LYS 14 Cb 0.78 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1jhj h LYS 14 CO -0.00 0.86 0.60 1.96 -0.57 0.00 0.00 179.45 182.30 1jhj h GLN 15 N 1.15 1.24 -0.26 3.15 1.08 -1.47 0.99 115.11 120.99 1jhj h GLN 15 Ca 0.28 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1jhj h GLN 15 Cb 0.07 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 1jhj h GLN 15 CO -0.04 0.84 0.13 1.25 -0.95 0.00 0.00 178.83 180.06 1jhj h LEU 16 N 1.27 0.33 -1.08 1.46 5.85 -1.34 -2.83 115.31 118.98 1jhj h LEU 16 Ca 0.34 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1jhj h LEU 16 Cb -0.11 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1jhj h LEU 16 CO -0.07 0.35 0.37 -0.33 -0.34 0.00 0.00 178.44 178.42 1jhj h GLU 17 N 0.29 1.02 0.00 1.25 5.08 -0.15 -1.51 114.58 120.56 1jhj h GLU 17 Ca 0.09 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1jhj h GLU 17 Cb 0.10 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1jhj h GLU 17 CO -0.01 0.77 0.00 0.54 -1.00 0.00 0.00 179.01 179.30 1jhj n ARG 18 N -4.34 0.04 0.00 2.33 1.74 0.25 -1.39 116.66 115.29 1jhj n ARG 18 Ca 0.07 0.32 0.14 0.00 -0.77 0.00 0.00 57.85 57.61 1jhj n ARG 18 Cb 0.12 -1.59 0.54 0.00 -1.02 0.00 0.00 32.46 30.50 1jhj n ARG 18 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jhj n THR 19 N -1.67 0.02 -1.33 0.55 -2.24 -0.57 -4.91 114.28 104.13 1jhj n THR 19 Ca 0.03 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1jhj n THR 19 Cb 0.16 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1jhj n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhj n GLY 20 N 1.49 1.18 0.00 3.38 0.00 -0.49 -4.88 105.19 105.88 1jhj n GLY 20 Ca 0.07 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1jhj n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jhj n THR 21 N -2.45 0.01 -4.31 2.61 -2.24 -1.26 -4.94 114.28 101.70 1jhj n THR 21 Ca -0.11 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1jhj n THR 21 Cb 0.48 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 1jhj n THR 21 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1jhj s VAL 22 N -3.07 1.08 -0.04 2.28 -7.23 -1.26 -2.06 120.40 110.10 1jhj s VAL 22 Ca 0.06 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1jhj s VAL 22 Cb 0.16 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.91 1jhj s VAL 22 CO 0.85 -0.44 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.52 1jhj s ARG 23 N -3.83 1.12 -0.04 4.82 3.52 -0.78 -4.82 118.95 118.95 1jhj s ARG 23 Ca 0.25 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 1jhj s ARG 23 Cb 0.05 -1.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 1jhj s ARG 23 CO 0.06 0.02 0.99 -2.00 -0.81 0.00 0.00 175.30 173.57 1jhj s GLU 24 N 0.57 4.51 -0.09 5.12 -6.30 -1.26 -1.05 118.70 120.20 1jhj s GLU 24 Ca -0.09 1.41 0.13 0.00 -2.50 0.00 0.00 54.97 53.91 1jhj s GLU 24 Cb -0.13 -3.49 0.20 0.00 0.00 0.00 0.00 34.13 30.71 1jhj s GLU 24 CO 0.01 -0.15 1.11 0.44 0.02 0.00 0.00 175.26 176.69 1jhj n ILE 25 N 4.15 1.60 0.25 -3.70 -5.35 -0.02 -4.74 119.36 111.55 1jhj n ILE 25 Ca 0.07 -1.82 0.12 0.00 -0.27 0.00 0.00 62.75 60.85 1jhj n ILE 25 Cb 0.50 0.01 0.75 0.00 -1.74 0.00 0.00 39.64 39.17 1jhj n ILE 25 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1jhj h GLY 26 N 0.09 0.00 2.00 3.28 0.00 -1.92 -1.45 103.07 105.07 1jhj h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jhj h GLY 26 CO 0.01 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.03 1jhj h SER 27 N 0.00 0.00 0.27 0.19 4.64 -1.96 -1.56 113.55 115.14 1jhj h SER 27 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jhj h SER 27 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1jhj h SER 27 CO -0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.79 1jhj n GLN 28 N -2.31 0.84 -4.12 4.77 6.02 -0.55 -4.91 117.38 117.12 1jhj n GLN 28 Ca 0.00 -0.41 -0.22 0.00 -0.01 0.00 0.00 57.00 56.36 1jhj n GLN 28 Cb 0.14 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 1jhj n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jhj s ALA 29 N -2.44 3.48 -0.21 -1.58 0.00 -0.59 -4.56 121.76 115.87 1jhj s ALA 29 Ca 0.28 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.51 1jhj s ALA 29 Cb 0.20 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1jhj s ALA 29 CO 0.48 0.17 0.19 0.14 0.00 0.00 0.00 175.76 176.74 1jhj s VAL 30 N -2.28 5.36 -0.11 0.00 -7.23 0.16 -4.90 120.40 111.40 1jhj s VAL 30 Ca 0.35 0.29 -0.03 0.00 -1.81 0.00 0.00 61.98 60.78 1jhj s VAL 30 Cb -0.06 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.32 1jhj s VAL 30 CO 0.23 0.38 -0.00 0.26 -0.31 0.00 0.00 175.10 175.66 1jhj s TRP 31 N 0.70 3.14 0.04 2.82 0.52 -1.26 -1.08 118.94 123.81 1jhj s TRP 31 Ca 0.10 0.06 -0.00 0.00 0.02 0.00 0.00 56.10 56.28 1jhj s TRP 31 Cb -0.12 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1jhj s TRP 31 CO 0.02 0.31 -0.03 -1.54 0.02 0.00 0.00 176.95 175.73 1jhj s SER 32 N -0.43 0.41 0.08 2.95 1.04 -0.28 -4.99 113.70 112.47 1jhj s SER 32 Ca 0.08 -0.76 0.07 0.00 0.48 0.00 0.00 55.95 55.82 1jhj s SER 32 Cb -0.12 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1jhj s SER 32 CO 0.02 -0.45 -0.19 -0.76 0.98 0.00 0.00 173.24 172.84 1jhj s LEU 33 N -2.24 2.25 0.36 2.42 1.43 -1.26 -0.60 118.68 121.04 1jhj s LEU 33 Ca -0.04 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1jhj s LEU 33 Cb -0.01 -0.82 0.68 0.00 0.03 0.00 0.00 46.19 46.08 1jhj s LEU 33 CO -0.06 0.06 1.92 0.77 0.23 0.00 0.00 176.35 179.28 1jhj h SER 34 N 4.38 0.47 -4.92 2.29 4.64 -1.59 -3.46 113.55 115.35 1jhj h SER 34 Ca -0.44 -0.07 0.11 0.00 -0.47 0.00 0.00 61.79 60.93 1jhj h SER 34 Cb 1.18 -0.12 -0.12 0.00 -0.31 0.00 0.00 62.40 63.03 1jhj h SER 34 CO 0.41 0.49 0.44 -0.94 -0.87 0.00 0.00 176.83 176.37 1jhj s SER 35 N -6.74 -0.32 0.19 4.97 1.04 -1.26 -5.00 113.70 106.58 1jhj s SER 35 Ca -0.08 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 55.97 1jhj s SER 35 Cb 0.16 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1jhj s SER 35 CO 0.75 -0.79 1.02 0.00 0.98 0.00 0.00 173.24 175.20 1jhj s LYS 37 N -2.37 1.92 -0.08 0.00 2.20 -1.05 -4.44 119.74 115.92 1jhj s LYS 37 Ca 0.20 -0.79 -0.38 0.00 -0.36 0.00 0.00 55.97 54.64 1jhj s LYS 37 Cb -0.02 -1.79 -0.15 0.00 -1.51 0.00 0.00 37.83 34.35 1jhj s LYS 37 CO 0.05 0.44 1.60 -2.30 -0.36 0.00 0.00 175.35 174.78 1jhj n PRO 38 N 2.66 1.37 -0.70 4.03 -0.02 -1.26 -0.10 135.00 140.98 1jhj n PRO 38 Ca -0.16 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1jhj n PRO 38 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1jhj n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jhj n GLY 39 N 3.55 0.72 2.23 -1.23 0.00 -1.26 -4.95 105.19 104.26 1jhj n GLY 39 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1jhj n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jhj n PHE 40 N -2.45 -0.50 -0.77 1.61 3.01 0.85 -4.87 117.46 114.34 1jhj n PHE 40 Ca 0.00 -3.47 0.00 0.00 1.01 0.00 0.00 57.45 54.99 1jhj n PHE 40 Cb 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 1jhj n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jhj n GLY 41 N 1.22 5.17 0.25 1.37 0.00 -1.26 -1.95 105.19 109.99 1jhj n GLY 41 Ca 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.40 1jhj n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jhj h VAL 42 N 0.00 0.75 -0.57 1.61 2.07 -1.96 -1.06 116.25 117.09 1jhj h VAL 42 Ca 0.00 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.44 1jhj h VAL 42 Cb 0.00 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1jhj h VAL 42 CO 0.00 0.08 0.38 0.44 0.02 0.00 0.00 177.57 178.49 1jhj h ASP 43 N 0.45 0.42 0.44 0.57 3.32 -1.97 0.33 116.42 119.98 1jhj h ASP 43 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1jhj h ASP 43 Cb 0.45 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1jhj h ASP 43 CO -0.33 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1jhj n GLN 44 N -4.47 0.50 0.00 3.56 3.00 -0.41 -1.74 117.38 117.82 1jhj n GLN 44 Ca 0.08 0.01 0.10 0.00 -0.01 0.00 0.00 57.00 57.19 1jhj n GLN 44 Cb 0.29 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.96 1jhj n GLN 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1jhj n LEU 45 N -1.23 1.40 0.00 1.08 4.77 0.08 -4.25 117.00 118.85 1jhj n LEU 45 Ca 0.15 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1jhj n LEU 45 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1jhj n LEU 45 CO 0.21 0.29 0.27 0.54 -1.33 0.00 0.00 177.39 177.37 1jhj n ARG 46 N -0.81 0.17 -0.07 3.23 5.12 -0.95 -1.27 116.66 122.08 1jhj n ARG 46 Ca 0.06 -0.65 0.08 0.00 -1.93 0.00 0.00 57.85 55.41 1jhj n ARG 46 Cb 0.37 -0.88 0.35 0.00 -1.16 0.00 0.00 32.46 31.13 1jhj n ARG 46 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1jhj n ASP 47 N -0.12 1.17 -2.37 0.55 5.75 -0.71 -4.92 116.55 115.91 1jhj n ASP 47 Ca 0.00 -1.72 -0.16 0.00 -0.01 0.00 0.00 54.79 52.90 1jhj n ASP 47 Cb 0.13 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 1jhj n ASP 47 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1jhj n ASP 48 N 0.03 -4.73 -4.04 -1.12 8.00 -1.26 -4.95 116.55 108.47 1jhj n ASP 48 Ca 0.13 0.12 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 1jhj n ASP 48 Cb 0.23 -3.99 -0.16 0.00 -0.02 0.00 0.00 41.12 37.18 1jhj n ASP 48 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1jhj s ASN 49 N -2.05 3.57 0.00 -2.24 3.84 -1.26 -4.99 114.94 111.80 1jhj s ASN 49 Ca 0.00 -0.95 0.31 0.00 0.21 0.00 0.00 52.86 52.43 1jhj s ASN 49 Cb 0.00 -1.36 1.61 0.00 -0.55 0.00 0.00 41.25 40.95 1jhj s ASN 49 CO 0.00 -0.12 2.09 0.18 -2.79 0.00 0.00 177.10 176.46 1jhj n LEU 50 N 4.61 0.00 0.09 3.21 4.77 -1.26 -3.22 117.00 125.21 1jhj n LEU 50 Ca -0.16 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1jhj n LEU 50 Cb 0.46 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1jhj n LEU 50 CO 0.22 -0.00 0.21 -0.33 -1.33 0.00 0.00 177.39 176.15 1jhj h GLU 51 N 0.00 0.00 -6.17 3.23 5.08 -1.94 -3.47 114.58 111.31 1jhj h GLU 51 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1jhj h GLU 51 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1jhj h GLU 51 CO 0.00 0.00 -0.47 0.95 -1.00 0.00 0.00 179.01 178.49 1jhj s THR 52 N -3.27 4.98 0.09 1.13 -4.23 -1.20 -5.12 115.64 108.02 1jhj s THR 52 Ca 0.03 -1.08 -0.17 0.00 -1.18 0.00 0.00 61.69 59.29 1jhj s THR 52 Cb 0.11 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.31 1jhj s THR 52 CO 0.75 -0.29 0.41 -0.72 -0.54 0.00 0.00 174.62 174.24 1jhj s TYR 53 N -1.98 -0.24 0.09 3.99 -0.85 -1.26 -4.45 117.35 112.65 1jhj s TYR 53 Ca 0.34 0.05 -0.27 0.00 -0.52 0.00 0.00 57.07 56.67 1jhj s TYR 53 Cb -0.09 0.25 -0.06 0.00 0.38 0.00 0.00 41.96 42.44 1jhj s TYR 53 CO 0.27 -0.65 0.85 -0.46 -1.52 0.00 0.00 175.55 174.05 1jhj s TRP 54 N -3.22 3.79 -0.12 -3.49 -0.00 -0.46 -4.12 118.94 111.32 1jhj s TRP 54 Ca -0.01 1.64 0.01 0.00 -0.00 0.00 0.00 56.10 57.74 1jhj s TRP 54 Cb 0.01 -2.92 0.02 0.00 -0.00 0.00 0.00 33.47 30.58 1jhj s TRP 54 CO -0.08 0.27 -0.14 -1.14 -0.00 0.00 0.00 176.95 175.86 1jhj s GLN 55 N -0.17 2.19 0.94 5.86 0.74 -0.82 -2.64 119.66 125.76 1jhj s GLN 55 Ca 0.42 -0.53 -0.12 0.00 0.05 0.00 0.00 55.36 55.17 1jhj s GLN 55 Cb -0.22 -1.94 0.15 0.00 1.10 0.00 0.00 33.01 32.10 1jhj s GLN 55 CO 0.26 -0.15 1.11 -1.54 -0.55 0.00 0.00 175.29 174.43 1jhj s SER 56 N 1.24 3.19 -0.48 6.67 1.04 -0.92 -2.54 113.70 121.91 1jhj s SER 56 Ca -0.01 1.13 0.06 0.00 0.48 0.00 0.00 55.95 57.60 1jhj s SER 56 Cb -0.14 -1.76 0.20 0.00 0.10 0.00 0.00 66.02 64.41 1jhj s SER 56 CO -0.06 -2.77 0.63 -0.67 0.98 0.00 0.00 173.24 171.35 1jhj n ASP 57 N -3.93 -2.31 0.00 7.02 2.03 -1.26 -4.66 116.55 113.43 1jhj n ASP 57 Ca 0.06 -2.80 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1jhj n ASP 57 Cb 0.58 0.96 0.00 0.00 -0.72 0.00 0.00 41.12 41.94 1jhj n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhj n GLY 58 N 2.63 -1.28 3.77 0.27 0.00 -1.26 -4.57 105.19 104.74 1jhj n GLY 58 Ca 0.20 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1jhj n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jhj s SER 59 N -2.82 7.49 0.64 1.61 0.01 -1.26 -4.76 113.70 114.61 1jhj s SER 59 Ca 0.00 1.82 -0.16 0.00 1.31 0.00 0.00 55.95 58.92 1jhj s SER 59 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 1jhj s SER 59 CO 0.00 0.11 1.14 -1.10 0.41 0.00 0.00 173.24 173.80 1jhj s GLN 60 N -1.41 2.80 0.38 12.44 -0.21 -1.26 -4.36 119.66 128.04 1jhj s GLN 60 Ca 0.42 1.53 -0.24 0.00 0.02 0.00 0.00 55.36 57.09 1jhj s GLN 60 Cb -0.23 -1.94 -0.10 0.00 1.00 0.00 0.00 33.01 31.74 1jhj s GLN 60 CO 0.28 -1.28 0.98 -1.25 -2.12 0.00 0.00 175.29 171.90 1jhj s PRO 61 N -3.84 4.34 -0.01 2.91 0.04 -1.26 -5.13 135.00 132.04 1jhj s PRO 61 Ca 0.70 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1jhj s PRO 61 Cb -0.23 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1jhj s PRO 61 CO 0.39 0.05 0.52 -1.01 0.04 0.00 0.00 177.00 176.99 1jhj s HIS 62 N -1.80 3.68 -0.01 0.56 3.76 -0.75 -4.87 115.29 115.86 1jhj s HIS 62 Ca 0.56 1.10 0.08 0.00 -0.15 0.00 0.00 55.06 56.65 1jhj s HIS 62 Cb -0.17 -2.50 -0.02 0.00 1.11 0.00 0.00 32.58 31.00 1jhj s HIS 62 CO 0.22 0.42 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.77 1jhj s LEU 63 N -0.39 2.10 -0.20 0.89 1.43 -1.26 -0.05 118.68 121.20 1jhj s LEU 63 Ca 0.28 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1jhj s LEU 63 Cb -0.17 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.73 1jhj s LEU 63 CO 0.15 0.31 -0.17 -0.69 0.23 0.00 0.00 176.35 176.19 1jhj s VAL 64 N -0.65 2.20 -0.19 -1.59 1.01 -0.15 -1.34 120.40 119.69 1jhj s VAL 64 Ca 0.10 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1jhj s VAL 64 Cb -0.10 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1jhj s VAL 64 CO -0.00 0.41 0.03 0.20 0.00 0.00 0.00 175.10 175.73 1jhj s ASN 65 N 1.27 5.18 -0.28 3.32 0.01 0.23 -0.71 114.94 123.96 1jhj s ASN 65 Ca 0.02 -0.07 0.03 0.00 -0.71 0.00 0.00 52.86 52.12 1jhj s ASN 65 Cb -0.15 -1.89 0.08 0.00 0.41 0.00 0.00 41.25 39.71 1jhj s ASN 65 CO -0.11 0.12 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.94 1jhj s ILE 66 N 0.70 1.99 -0.13 0.60 1.01 -0.24 -1.13 121.20 124.00 1jhj s ILE 66 Ca 0.01 -1.77 0.01 0.00 0.00 0.00 0.00 60.65 58.90 1jhj s ILE 66 Cb -0.14 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1jhj s ILE 66 CO 0.02 -0.27 -0.16 -1.10 0.00 0.00 0.00 174.94 173.43 1jhj s GLN 67 N 1.13 3.29 0.13 2.79 -0.21 -0.25 -0.79 119.66 125.75 1jhj s GLN 67 Ca -0.01 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 54.66 1jhj s GLN 67 Cb -0.19 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 1jhj s GLN 67 CO -0.08 0.19 0.24 -0.06 -2.12 0.00 0.00 175.29 173.46 1jhj s PHE 68 N 0.40 3.44 0.15 0.91 0.40 0.11 -0.66 117.98 122.72 1jhj s PHE 68 Ca -0.12 0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1jhj s PHE 68 Cb -0.16 -1.67 -0.08 0.00 0.51 0.00 0.00 43.02 41.62 1jhj s PHE 68 CO 0.06 0.53 1.33 -0.09 0.70 0.00 0.00 175.22 177.76 1jhj h ARG 69 N 2.42 0.12 -6.23 0.44 2.43 -1.85 -3.46 114.38 108.25 1jhj h ARG 69 Ca -0.48 -0.15 -0.61 0.00 -0.81 0.00 0.00 59.98 57.93 1jhj h ARG 69 Cb 1.19 0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 1jhj h ARG 69 CO 0.69 0.97 -0.77 -0.98 -1.51 0.00 0.00 179.97 178.38 1jhj s ARG 70 N -3.00 1.64 0.14 0.20 1.70 -1.26 -5.09 118.95 113.28 1jhj s ARG 70 Ca -0.02 -1.73 -0.31 0.00 -0.47 0.00 0.00 55.73 53.21 1jhj s ARG 70 Cb 0.10 -1.75 -0.11 0.00 -0.57 0.00 0.00 34.95 32.62 1jhj s ARG 70 CO 0.83 0.33 1.80 0.21 -1.08 0.00 0.00 175.30 177.39 1jhj s LYS 71 N -3.40 4.14 -0.04 3.89 2.20 -1.26 -4.67 119.74 120.60 1jhj s LYS 71 Ca 0.28 2.58 0.04 0.00 -0.36 0.00 0.00 55.97 58.52 1jhj s LYS 71 Cb -0.05 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1jhj s LYS 71 CO 0.14 -0.82 -0.15 0.99 -0.36 0.00 0.00 175.35 175.15 1jhj s THR 72 N 2.43 1.24 -0.13 3.43 2.01 0.23 -4.86 115.64 120.00 1jhj s THR 72 Ca 0.79 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1jhj s THR 72 Cb -0.46 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1jhj s THR 72 CO 0.35 0.36 1.04 -0.89 -0.69 0.00 0.00 174.62 174.79 1jhj s THR 73 N 0.08 4.70 -0.05 -0.82 2.01 -1.26 -0.68 115.64 119.63 1jhj s THR 73 Ca -0.03 1.99 0.04 0.00 0.31 0.00 0.00 61.69 63.99 1jhj s THR 73 Cb -0.11 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.12 1jhj s THR 73 CO 0.02 -0.04 -0.16 0.68 -0.69 0.00 0.00 174.62 174.43 1jhj s VAL 74 N 2.30 1.36 -0.15 3.82 -7.23 0.11 -4.54 120.40 116.07 1jhj s VAL 74 Ca 0.48 -0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 59.98 1jhj s VAL 74 Cb -0.18 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 1jhj s VAL 74 CO 0.16 0.40 -0.15 1.17 -0.31 0.00 0.00 175.10 176.36 1jhj n LYS 75 N 3.35 0.34 -3.85 4.82 4.81 -0.09 -2.48 118.16 125.06 1jhj n LYS 75 Ca -0.19 0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.23 1jhj n LYS 75 Cb 0.53 -1.18 -0.14 0.00 0.02 0.00 0.00 35.03 34.25 1jhj n LYS 75 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1jhj s THR 76 N -2.28 -0.01 -0.15 3.15 2.01 -1.10 -0.61 115.64 116.66 1jhj s THR 76 Ca -0.20 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 1jhj s THR 76 Cb 0.06 -0.06 -0.02 0.00 0.01 0.00 0.00 72.50 72.49 1jhj s THR 76 CO 0.30 0.01 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.93 1jhj s LEU 77 N 0.17 2.91 -0.12 4.42 2.96 -0.32 -0.74 118.68 127.96 1jhj s LEU 77 Ca -0.01 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1jhj s LEU 77 Cb -0.02 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 1jhj s LEU 77 CO -0.00 0.15 -0.20 0.00 -1.32 0.00 0.00 176.35 174.98 1jhj s ILE 79 N 0.47 1.44 -0.24 0.00 1.01 -0.33 -1.01 121.20 122.54 1jhj s ILE 79 Ca -0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1jhj s ILE 79 Cb -0.17 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1jhj s ILE 79 CO 0.05 0.42 0.14 -0.47 0.00 0.00 0.00 174.94 175.08 1jhj s TYR 80 N 0.13 3.25 -0.02 3.97 5.04 -0.38 -0.24 117.35 129.11 1jhj s TYR 80 Ca -0.06 0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.64 1jhj s TYR 80 Cb -0.12 -2.26 0.01 0.00 0.35 0.00 0.00 41.96 39.94 1jhj s TYR 80 CO 0.03 -0.03 0.04 0.00 -1.34 0.00 0.00 175.55 174.25 1jhj s ALA 81 N 1.17 -0.07 -0.20 3.97 0.00 -0.82 -2.50 121.76 123.31 1jhj s ALA 81 Ca 0.06 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 1jhj s ALA 81 Cb -0.14 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 22.91 1jhj s ALA 81 CO 0.05 -0.05 0.08 0.34 0.00 0.00 0.00 175.76 176.18 1jhj s ASP 82 N 0.34 2.70 0.23 0.00 2.15 -1.26 -1.07 116.67 119.77 1jhj s ASP 82 Ca -0.03 -0.78 -0.08 0.00 0.43 0.00 0.00 52.55 52.09 1jhj s ASP 82 Cb -0.04 -0.38 0.24 0.00 -0.30 0.00 0.00 42.92 42.44 1jhj s ASP 82 CO -0.01 -0.35 1.89 0.22 -0.17 0.00 0.00 175.17 176.75 1jhj h TYR 83 N 8.35 1.05 -0.15 -5.34 3.20 -1.12 0.14 116.97 123.10 1jhj h TYR 83 Ca -0.16 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 1jhj h TYR 83 Cb 1.12 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1jhj h TYR 83 CO 0.21 0.62 -0.01 0.87 -1.64 0.00 0.00 178.16 178.21 1jhj h LYS 84 N 1.10 0.21 0.06 1.82 1.57 -1.92 0.02 116.57 119.42 1jhj h LYS 84 Ca 0.33 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.77 1jhj h LYS 84 Cb -0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1jhj h LYS 84 CO -0.10 0.25 -1.77 0.77 -0.57 0.00 0.00 179.45 178.03 1jhj h SER 85 N 0.21 0.19 0.00 0.86 0.02 -1.81 -3.40 113.55 109.62 1jhj h SER 85 Ca 0.05 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1jhj h SER 85 Cb 0.17 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jhj h SER 85 CO 0.00 1.35 -1.00 0.47 -1.14 0.00 0.00 176.83 176.52 1jhj n ASP 86 N -3.25 0.83 0.00 3.07 8.00 0.44 -5.03 116.55 120.62 1jhj n ASP 86 Ca -0.22 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1jhj n ASP 86 Cb 1.05 1.13 0.00 0.00 -0.02 0.00 0.00 41.12 43.28 1jhj n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jhj n GLU 87 N -1.53 0.00 0.00 -1.24 1.02 -0.03 -0.65 120.64 118.21 1jhj n GLU 87 Ca 0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.22 1jhj n GLU 87 Cb 0.31 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.03 1jhj n GLU 87 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1jhj n SER 88 N 3.72 0.00 -0.31 1.62 3.41 -1.26 -1.43 113.62 119.37 1jhj n SER 88 Ca 0.00 0.28 0.14 0.00 -0.26 0.00 0.00 58.87 59.03 1jhj n SER 88 Cb 0.00 -0.38 0.58 0.00 -0.26 0.00 0.00 64.21 64.15 1jhj n SER 88 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jhj n TYR 89 N -1.38 0.00 -2.70 7.33 4.02 0.18 -3.80 117.16 120.81 1jhj n TYR 89 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.51 1jhj n TYR 89 Cb 0.12 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1jhj n TYR 89 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1jhj s THR 90 N -2.15 4.74 0.57 -0.72 2.01 -0.51 -0.33 115.64 119.25 1jhj s THR 90 Ca 0.36 1.99 -0.20 0.00 0.31 0.00 0.00 61.69 64.15 1jhj s THR 90 Cb 0.21 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1jhj s THR 90 CO 0.39 -0.09 1.24 -2.65 -0.69 0.00 0.00 174.62 172.82 1jhj n PRO 91 N 5.73 1.38 0.00 4.92 -0.02 -1.26 -0.95 135.00 144.81 1jhj n PRO 91 Ca 0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1jhj n PRO 91 Cb 0.47 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1jhj n PRO 91 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jhj n SER 92 N -1.05 4.61 -3.74 2.55 3.41 -0.24 -4.64 113.62 114.52 1jhj n SER 92 Ca 0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.54 1jhj n SER 92 Cb 0.45 0.72 -0.17 0.00 -0.26 0.00 0.00 64.21 64.95 1jhj n SER 92 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jhj s LYS 93 N -1.88 0.20 -0.01 4.33 2.20 -1.08 -0.56 119.74 122.94 1jhj s LYS 93 Ca 0.00 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 1jhj s LYS 93 Cb 0.00 -0.61 -0.01 0.00 -1.51 0.00 0.00 37.83 35.71 1jhj s LYS 93 CO 0.00 -0.26 -0.11 0.42 -0.36 0.00 0.00 175.35 175.04 1jhj s ILE 94 N 1.74 0.90 -0.13 5.43 1.01 -0.01 -0.44 121.20 129.70 1jhj s ILE 94 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1jhj s ILE 94 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 1jhj s ILE 94 CO -0.03 0.26 -0.13 -0.55 0.00 0.00 0.00 174.94 174.49 1jhj s SER 95 N -0.13 4.02 -0.18 3.58 0.15 0.11 -0.29 113.70 120.96 1jhj s SER 95 Ca 0.02 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.32 1jhj s SER 95 Cb -0.06 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.66 1jhj s SER 95 CO -0.00 0.18 -0.06 -0.69 1.20 0.00 0.00 173.24 173.87 1jhj s VAL 96 N 0.29 3.52 0.10 4.45 1.01 -0.23 -0.51 120.40 129.05 1jhj s VAL 96 Ca -0.10 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1jhj s VAL 96 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1jhj s VAL 96 CO 0.05 0.47 -0.18 -0.13 0.00 0.00 0.00 175.10 175.31 1jhj s ARG 97 N 0.79 1.06 0.05 2.72 0.52 -0.33 -0.66 118.95 123.11 1jhj s ARG 97 Ca -0.02 -1.15 -0.00 0.00 -0.52 0.00 0.00 55.73 54.04 1jhj s ARG 97 Cb -0.15 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 1jhj s ARG 97 CO 0.02 0.27 -0.04 0.14 0.02 0.00 0.00 175.30 175.70 1jhj s VAL 98 N -1.40 0.31 -2.69 3.52 -7.23 -0.76 -0.15 120.40 112.00 1jhj s VAL 98 Ca 0.06 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1jhj s VAL 98 Cb -0.09 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.61 1jhj s VAL 98 CO 0.04 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.60 1jhj n GLY 99 N 0.47 -1.74 0.15 2.32 0.00 -0.87 -0.98 105.19 104.53 1jhj n GLY 99 Ca -0.16 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 1jhj n GLY 99 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jhj h ASN 100 N 0.00 0.55 -5.21 1.61 2.35 -1.89 -2.16 115.58 110.84 1jhj h ASN 100 Ca 0.00 -0.48 -0.12 0.00 -0.55 0.00 0.00 56.30 55.15 1jhj h ASN 100 Cb 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1jhj h ASN 100 CO 0.00 1.31 0.09 0.54 -1.65 0.00 0.00 177.43 177.72 1jhj s ASN 101 N -7.14 0.36 0.61 5.81 2.20 -1.26 -4.66 114.94 110.86 1jhj s ASN 101 Ca -0.06 -1.27 0.32 0.00 -0.94 0.00 0.00 52.86 50.91 1jhj s ASN 101 Cb 0.08 0.78 1.83 0.00 -2.00 0.00 0.00 41.25 41.93 1jhj s ASN 101 CO 0.88 -1.53 2.18 -0.26 -2.94 0.00 0.00 177.10 175.42 1jhj h PHE 102 N 2.04 0.00 -0.01 1.54 0.04 -2.00 -1.94 116.94 116.60 1jhj h PHE 102 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1jhj h PHE 102 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1jhj h PHE 102 CO 1.40 0.00 -0.42 0.72 -0.60 0.00 0.00 178.31 179.41 1jhj n HIS 103 N -3.63 0.00 -1.55 -0.55 8.25 -1.26 -4.18 115.22 112.29 1jhj n HIS 103 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.52 1jhj n HIS 103 Cb 0.22 -0.02 0.18 0.00 1.12 0.00 0.00 29.99 31.48 1jhj n HIS 103 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jhj n ASN 104 N -0.06 1.76 -4.76 0.41 5.03 -0.74 -5.05 115.26 111.86 1jhj n ASN 104 Ca 0.10 -3.54 -0.39 0.00 0.87 0.00 0.00 54.58 51.62 1jhj n ASN 104 Cb 0.45 -0.48 -0.05 0.00 -1.02 0.00 0.00 39.78 38.68 1jhj n ASN 104 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1jhj s LEU 105 N -2.84 4.48 -0.04 3.41 1.43 -1.19 -4.29 118.68 119.63 1jhj s LEU 105 Ca 0.35 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.54 1jhj s LEU 105 Cb 0.34 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1jhj s LEU 105 CO -0.05 -0.09 -0.14 -1.10 0.23 0.00 0.00 176.35 175.20 1jhj s GLN 106 N -1.64 1.54 0.15 1.70 -0.21 -0.15 -4.91 119.66 116.14 1jhj s GLN 106 Ca 0.47 -0.49 -0.31 0.00 0.02 0.00 0.00 55.36 55.05 1jhj s GLN 106 Cb -0.26 -1.34 -0.09 0.00 1.00 0.00 0.00 33.01 32.32 1jhj s GLN 106 CO 0.33 0.16 1.45 -2.00 -2.12 0.00 0.00 175.29 173.11 1jhj s GLU 107 N 0.21 4.29 -0.01 2.91 2.12 -1.26 -1.83 118.70 125.13 1jhj s GLU 107 Ca -0.06 2.18 0.06 0.00 0.36 0.00 0.00 54.97 57.51 1jhj s GLU 107 Cb -0.12 -3.20 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 1jhj s GLU 107 CO 0.02 -0.48 0.13 0.44 -0.54 0.00 0.00 175.26 174.83 1jhj n ILE 108 N 3.76 0.00 -3.77 -3.70 -5.35 0.16 -4.96 119.36 105.50 1jhj n ILE 108 Ca 0.12 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 1jhj n ILE 108 Cb 0.41 0.43 -0.11 0.00 -1.74 0.00 0.00 39.64 38.64 1jhj n ILE 108 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1jhj s ARG 109 N -2.30 0.41 -0.13 6.28 1.81 -1.08 -5.01 118.95 118.93 1jhj s ARG 109 Ca -0.02 0.35 0.00 0.00 -1.72 0.00 0.00 55.73 54.35 1jhj s ARG 109 Cb 0.04 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.75 1jhj s ARG 109 CO 0.23 -0.06 -0.12 1.14 -0.68 0.00 0.00 175.30 175.81 1jhj s GLN 110 N -0.04 2.01 -0.11 3.54 -2.07 -1.26 -1.06 119.66 120.66 1jhj s GLN 110 Ca -0.02 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1jhj s GLN 110 Cb -0.03 -1.89 -0.02 0.00 -1.09 0.00 0.00 33.01 29.99 1jhj s GLN 110 CO 0.01 -0.22 -0.11 -0.51 -1.32 0.00 0.00 175.29 173.14 1jhj s LEU 111 N 1.48 2.85 -0.18 2.60 1.43 0.60 -4.99 118.68 122.47 1jhj s LEU 111 Ca 0.03 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1jhj s LEU 111 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1jhj s LEU 111 CO -0.08 0.22 -0.00 -0.70 0.23 0.00 0.00 176.35 176.01 1jhj s GLU 112 N 0.04 3.71 -0.14 1.70 2.56 -1.26 -0.83 118.70 124.48 1jhj s GLU 112 Ca -0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 54.97 54.45 1jhj s GLU 112 Cb -0.14 -3.04 -0.01 0.00 2.00 0.00 0.00 34.13 32.93 1jhj s GLU 112 CO 0.04 0.15 -0.13 -0.51 -0.56 0.00 0.00 175.26 174.25 1jhj s LEU 113 N 0.63 2.64 -0.29 2.70 1.43 0.27 -4.98 118.68 121.08 1jhj s LEU 113 Ca -0.00 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1jhj s LEU 113 Cb -0.14 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1jhj s LEU 113 CO 0.02 0.13 -0.01 -0.69 0.23 0.00 0.00 176.35 176.03 1jhj s VAL 114 N 0.55 2.93 -1.34 -1.59 1.01 -1.26 -4.52 120.40 116.18 1jhj s VAL 114 Ca -0.09 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 1jhj s VAL 114 Cb -0.16 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1jhj s VAL 114 CO 0.04 -0.07 0.42 -0.62 0.00 0.00 0.00 175.10 174.87 1jhj n GLU 115 N 4.62 -0.61 -1.09 2.72 1.02 -1.26 -0.84 120.64 125.20 1jhj n GLU 115 Ca -0.14 0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.77 1jhj n GLU 115 Cb 0.44 -2.99 0.13 0.00 -0.02 0.00 0.00 31.44 28.99 1jhj n GLU 115 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jhj s PRO 116 N -7.38 1.60 -0.26 3.49 0.04 -1.26 -4.53 135.00 126.70 1jhj s PRO 116 Ca 0.30 1.74 0.23 0.00 0.04 0.00 0.00 61.00 63.30 1jhj s PRO 116 Cb -0.16 -1.77 0.51 0.00 0.04 0.00 0.00 34.50 33.11 1jhj s PRO 116 CO 0.98 -2.24 1.12 -1.13 0.04 0.00 0.00 177.00 175.77 1jhj n SER 117 N -3.36 1.48 0.00 6.66 3.41 -1.22 -0.58 113.62 120.01 1jhj n SER 117 Ca 0.13 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1jhj n SER 117 Cb 0.51 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1jhj n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jhj n GLY 118 N -0.62 -0.31 3.72 5.00 0.00 -0.23 -4.83 105.19 107.92 1jhj n GLY 118 Ca 0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1jhj n GLY 118 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jhj s TRP 119 N -4.00 3.76 -0.27 1.61 0.52 -1.26 -1.95 118.94 117.35 1jhj s TRP 119 Ca 0.00 1.76 -0.08 0.00 0.02 0.00 0.00 56.10 57.80 1jhj s TRP 119 Cb 0.00 -3.09 -0.02 0.00 -1.15 0.00 0.00 33.47 29.22 1jhj s TRP 119 CO 0.00 0.10 0.09 0.42 0.02 0.00 0.00 176.95 177.58 1jhj s ILE 120 N 0.32 4.31 -0.22 2.03 1.01 0.67 -0.11 121.20 129.21 1jhj s ILE 120 Ca 0.49 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 1jhj s ILE 120 Cb -0.23 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1jhj s ILE 120 CO 0.29 0.25 0.16 -1.00 0.00 0.00 0.00 174.94 174.65 1jhj s HIS 121 N 1.60 3.37 -0.22 3.97 3.76 -1.26 -1.19 115.29 125.32 1jhj s HIS 121 Ca 0.06 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.28 1jhj s HIS 121 Cb -0.16 -2.23 0.05 0.00 1.11 0.00 0.00 32.58 31.35 1jhj s HIS 121 CO 0.04 0.17 -0.10 0.08 -0.85 0.00 0.00 174.74 174.08 1jhj s VAL 122 N 0.73 1.78 0.42 -0.90 1.01 0.74 -4.99 120.40 119.19 1jhj s VAL 122 Ca 0.09 -1.19 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1jhj s VAL 122 Cb -0.12 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 1jhj s VAL 122 CO 0.02 0.10 1.22 -2.84 0.00 0.00 0.00 175.10 173.60 1jhj s PRO 123 N 1.32 3.93 -0.42 2.72 0.02 -1.26 -1.17 135.00 140.13 1jhj s PRO 123 Ca -0.03 1.95 0.05 0.00 0.02 0.00 0.00 61.00 62.98 1jhj s PRO 123 Cb -0.17 -2.63 0.44 0.00 0.02 0.00 0.00 34.50 32.15 1jhj s PRO 123 CO -0.07 -0.46 1.32 1.28 -0.33 0.00 0.00 177.00 178.73 1jhj n LEU 124 N -0.06 5.35 -4.87 -5.54 4.77 0.22 -4.90 117.00 111.97 1jhj n LEU 124 Ca 0.05 -4.86 -0.31 0.00 -0.03 0.00 0.00 56.01 50.86 1jhj n LEU 124 Cb 0.46 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1jhj n LEU 124 CO 0.52 2.06 0.64 0.42 -1.33 0.00 0.00 177.39 179.70 1jhj s THR 125 N -4.97 4.71 0.00 -5.08 -4.23 -1.26 -1.23 115.64 103.58 1jhj s THR 125 Ca 0.52 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.86 1jhj s THR 125 Cb 0.42 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1jhj s THR 125 CO -0.07 -0.93 0.00 -0.90 -0.54 0.00 0.00 174.62 172.18 1jhj n ASP 126 N -2.25 0.00 0.00 3.99 5.68 0.83 -4.74 116.55 120.07 1jhj n ASP 126 Ca 0.05 -0.47 0.10 0.00 -0.50 0.00 0.00 54.79 53.98 1jhj n ASP 126 Cb 0.54 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.14 1jhj n ASP 126 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jhj n ASN 127 N -1.41 0.00 -0.20 -1.12 3.02 -1.26 -2.22 115.26 112.07 1jhj n ASN 127 Ca 0.00 -0.85 0.10 0.00 -0.03 0.00 0.00 54.58 53.79 1jhj n ASN 127 Cb 0.00 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.33 1jhj n ASN 127 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jhj n HIS 128 N -0.93 0.15 -0.96 3.10 8.25 -1.26 -4.97 115.22 118.60 1jhj n HIS 128 Ca 0.16 -0.98 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 1jhj n HIS 128 Cb 0.07 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1jhj n HIS 128 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jhj n LYS 129 N -1.29 -1.49 -3.48 -0.41 5.02 -0.94 -4.99 118.16 110.58 1jhj n LYS 129 Ca 0.17 0.37 -0.23 0.00 -2.02 0.00 0.00 58.31 56.60 1jhj n LYS 129 Cb 0.68 -4.61 -0.01 0.00 -0.02 0.00 0.00 35.03 31.07 1jhj n LYS 129 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jhj s LYS 130 N -1.57 3.41 0.30 1.97 1.02 -1.26 -4.75 119.74 118.86 1jhj s LYS 130 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 1jhj s LYS 130 Cb 0.00 -2.71 -0.11 0.00 -0.52 0.00 0.00 37.83 34.48 1jhj s LYS 130 CO 0.00 0.17 1.60 -2.14 -0.92 0.00 0.00 175.35 174.05 1jhj s PRO 131 N -4.25 4.11 0.51 -1.68 0.02 -1.26 -0.12 135.00 132.32 1jhj s PRO 131 Ca 0.40 2.60 -0.20 0.00 0.02 0.00 0.00 61.00 63.82 1jhj s PRO 131 Cb -0.09 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.34 1jhj s PRO 131 CO 0.34 -0.64 1.06 0.95 -0.33 0.00 0.00 177.00 178.38 1jhj s THR 132 N -0.10 3.63 -0.21 0.99 -4.23 -0.36 -4.70 115.64 110.66 1jhj s THR 132 Ca 0.63 1.00 -0.02 0.00 -1.18 0.00 0.00 61.69 62.12 1jhj s THR 132 Cb -0.48 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 69.96 1jhj s THR 132 CO 0.50 -0.23 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.10 1jhj s ARG 133 N -3.29 3.15 0.25 3.99 0.52 -1.26 0.07 118.95 122.37 1jhj s ARG 133 Ca 0.68 -0.75 -0.09 0.00 -0.52 0.00 0.00 55.73 55.06 1jhj s ARG 133 Cb -0.18 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 1jhj s ARG 133 CO 0.23 -0.23 0.39 -0.08 0.02 0.00 0.00 175.30 175.63 1jhj s THR 134 N 1.38 0.00 -0.30 0.02 -1.32 0.15 -4.81 115.64 110.76 1jhj s THR 134 Ca 0.05 -1.59 0.22 0.00 -1.21 0.00 0.00 61.69 59.16 1jhj s THR 134 Cb -0.14 -2.33 -0.31 0.00 -1.51 0.00 0.00 72.50 68.21 1jhj s THR 134 CO -0.07 0.00 0.59 0.49 -2.21 0.00 0.00 174.62 173.42 1jhj n PHE 135 N -0.37 0.00 -3.66 9.09 3.01 -1.17 -0.60 117.46 123.75 1jhj n PHE 135 Ca -0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.31 1jhj n PHE 135 Cb 0.63 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 39.66 1jhj n PHE 135 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 1jhj s MET 136 N -3.37 0.73 -0.06 -1.08 0.00 -0.82 0.06 119.30 114.77 1jhj s MET 136 Ca -0.04 0.60 0.05 0.00 0.00 0.00 0.00 55.69 56.31 1jhj s MET 136 Cb 0.14 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 35.32 1jhj s MET 136 CO 0.89 -0.13 -0.23 0.42 0.00 0.00 0.00 175.02 175.97 1jhj s ILE 137 N -0.13 1.90 -0.12 10.11 1.01 0.03 -2.06 121.20 131.94 1jhj s ILE 137 Ca -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1jhj s ILE 137 Cb -0.03 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.83 1jhj s ILE 137 CO 0.03 0.53 -0.20 -1.58 0.00 0.00 0.00 174.94 173.72 1jhj s GLN 138 N -0.07 2.72 -0.24 2.79 0.74 0.79 -1.08 119.66 125.30 1jhj s GLN 138 Ca -0.05 -0.75 -0.08 0.00 0.05 0.00 0.00 55.36 54.53 1jhj s GLN 138 Cb -0.14 -2.18 -0.04 0.00 1.10 0.00 0.00 33.01 31.76 1jhj s GLN 138 CO 0.04 0.03 0.09 0.42 -0.55 0.00 0.00 175.29 175.32 1jhj s ILE 139 N 0.73 4.62 -0.18 -2.34 1.01 0.11 -1.18 121.20 123.96 1jhj s ILE 139 Ca -0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1jhj s ILE 139 Cb -0.16 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1jhj s ILE 139 CO 0.01 0.35 -0.15 0.00 0.00 0.00 0.00 174.94 175.15 1jhj s ALA 140 N 1.34 2.48 -0.48 9.38 0.00 0.34 -0.98 121.76 133.84 1jhj s ALA 140 Ca 0.05 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 1jhj s ALA 140 Cb -0.15 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.69 1jhj s ALA 140 CO 0.04 -0.29 0.90 0.08 0.00 0.00 0.00 175.76 176.50 1jhj s VAL 141 N 1.21 4.49 -0.16 0.00 1.01 0.93 -0.71 120.40 127.17 1jhj s VAL 141 Ca 0.02 0.58 0.16 0.00 0.00 0.00 0.00 61.98 62.75 1jhj s VAL 141 Cb -0.14 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.81 1jhj s VAL 141 CO -0.07 -0.87 1.22 -0.07 0.00 0.00 0.00 175.10 175.31 1jhj h LEU 142 N 10.56 0.00 -7.00 3.92 3.38 -1.06 -1.99 115.31 123.13 1jhj h LEU 142 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1jhj h LEU 142 Cb 1.08 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 1jhj h LEU 142 CO 1.03 0.47 0.31 0.00 0.09 0.00 0.00 178.44 180.33 1jhj s ALA 143 N -2.99 -1.71 0.35 1.53 0.00 -1.20 -4.84 121.76 112.90 1jhj s ALA 143 Ca 0.02 0.86 0.09 0.00 0.00 0.00 0.00 51.96 52.92 1jhj s ALA 143 Cb 0.08 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 1jhj s ALA 143 CO 0.77 -0.64 -0.00 -0.80 0.00 0.00 0.00 175.76 175.08 1jhj s ASN 144 N -2.28 4.06 0.63 0.00 0.01 -1.26 -1.08 114.94 115.02 1jhj s ASN 144 Ca -0.00 -1.09 -0.17 0.00 -0.71 0.00 0.00 52.86 50.89 1jhj s ASN 144 Cb -0.01 -0.47 -0.01 0.00 0.41 0.00 0.00 41.25 41.17 1jhj s ASN 144 CO -0.07 -0.27 1.15 -1.00 -1.51 0.00 0.00 177.10 175.40 1jhj s HIS 145 N -2.57 2.47 -1.32 2.20 3.76 -0.12 -4.16 115.29 115.55 1jhj s HIS 145 Ca 0.35 1.55 -0.25 0.00 -0.15 0.00 0.00 55.06 56.56 1jhj s HIS 145 Cb 0.02 -3.33 0.04 0.00 1.11 0.00 0.00 32.58 30.42 1jhj s HIS 145 CO 0.19 -1.96 0.48 1.04 -0.85 0.00 0.00 174.74 173.64 1jhj n GLN 146 N -2.04 -0.41 -2.13 1.40 6.02 -1.26 -1.59 117.38 117.36 1jhj n GLN 146 Ca 0.12 0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.99 1jhj n GLN 146 Cb 0.51 -2.78 -0.03 0.00 1.02 0.00 0.00 30.24 28.97 1jhj n GLN 146 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1jhj n ASN 147 N -2.35 -5.25 -4.71 1.08 4.05 -1.26 -4.83 115.26 101.99 1jhj n ASN 147 Ca -0.17 0.10 -0.42 0.00 0.45 0.00 0.00 54.58 54.54 1jhj n ASN 147 Cb 0.60 -4.32 -0.03 0.00 1.23 0.00 0.00 39.78 37.26 1jhj n ASN 147 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1jhj s GLY 148 N -2.35 2.42 -0.05 8.20 0.00 -0.62 -4.95 107.32 109.97 1jhj s GLY 148 Ca 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 44.72 45.45 1jhj s GLY 148 CO 0.00 2.03 0.27 -0.09 0.00 0.00 0.00 173.10 175.31 1jhj h ARG 149 N 6.89 -0.19 -6.56 2.90 2.43 -1.91 -3.37 114.38 114.56 1jhj h ARG 149 Ca -0.41 0.01 -0.49 0.00 -0.81 0.00 0.00 59.98 58.29 1jhj h ARG 149 Cb 1.21 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1jhj h ARG 149 CO 0.81 -0.13 -0.14 -0.51 -1.51 0.00 0.00 179.97 178.50 1jhj s ASP 150 N -4.71 6.34 0.30 -3.80 1.01 -1.26 -4.75 116.67 109.79 1jhj s ASP 150 Ca -0.03 0.59 0.10 0.00 0.71 0.00 0.00 52.55 53.92 1jhj s ASP 150 Cb 0.00 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 1jhj s ASP 150 CO 0.09 -0.30 -0.06 0.42 0.21 0.00 0.00 175.17 175.53 1jhj s THR 151 N -2.30 2.85 -0.03 -1.27 -4.23 -1.26 -4.27 115.64 105.13 1jhj s THR 151 Ca 0.42 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1jhj s THR 151 Cb -0.10 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.07 1jhj s THR 151 CO 0.35 -0.32 -0.15 -1.00 -0.54 0.00 0.00 174.62 172.97 1jhj s HIS 152 N -2.45 1.42 -0.01 3.99 3.76 0.55 -2.15 115.29 120.39 1jhj s HIS 152 Ca 0.32 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1jhj s HIS 152 Cb -0.04 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.70 1jhj s HIS 152 CO 0.18 -0.11 -0.04 -1.64 -0.85 0.00 0.00 174.74 172.29 1jhj s MET 153 N -0.03 0.35 -0.01 1.40 -1.94 -1.08 -4.55 119.30 113.43 1jhj s MET 153 Ca -0.01 -0.13 0.22 0.00 -1.71 0.00 0.00 55.69 54.06 1jhj s MET 153 Cb -0.09 -0.36 -0.28 0.00 2.01 0.00 0.00 34.83 36.11 1jhj s MET 153 CO 0.01 0.06 0.67 0.54 -0.01 0.00 0.00 175.02 176.29 1jhj n ARG 154 N 3.13 0.40 -3.62 2.03 1.74 -1.04 -1.35 116.66 117.96 1jhj n ARG 154 Ca -0.15 -0.11 -0.07 0.00 -0.77 0.00 0.00 57.85 56.75 1jhj n ARG 154 Cb 0.57 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 1jhj n ARG 154 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1jhj s GLN 155 N -3.31 0.39 -0.03 5.56 2.00 -1.26 -4.52 119.66 118.49 1jhj s GLN 155 Ca -0.02 0.23 0.01 0.00 -2.00 0.00 0.00 55.36 53.58 1jhj s GLN 155 Cb 0.15 0.19 0.02 0.00 0.80 0.00 0.00 33.01 34.16 1jhj s GLN 155 CO 0.89 -0.09 -0.01 0.42 -0.50 0.00 0.00 175.29 175.99 1jhj s ILE 156 N -0.56 0.27 0.08 -2.34 1.01 -0.39 -1.24 121.20 118.02 1jhj s ILE 156 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1jhj s ILE 156 Cb -0.02 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 1jhj s ILE 156 CO -0.05 0.15 -0.16 -0.54 0.00 0.00 0.00 174.94 174.34 1jhj s LYS 157 N 0.81 0.89 -0.03 2.79 1.02 -0.18 -4.74 119.74 120.30 1jhj s LYS 157 Ca -0.09 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 54.91 1jhj s LYS 157 Cb -0.12 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 1jhj s LYS 157 CO -0.01 0.21 -0.06 -1.50 -0.92 0.00 0.00 175.35 173.07 1jhj s ILE 158 N -1.29 0.63 -0.01 2.17 2.07 -1.26 -0.58 121.20 122.93 1jhj s ILE 158 Ca 0.00 -0.23 0.08 0.00 -1.41 0.00 0.00 60.65 59.09 1jhj s ILE 158 Cb -0.10 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.87 1jhj s ILE 158 CO 0.03 0.22 -0.24 -0.31 -1.91 0.00 0.00 174.94 172.73 1jhj s TYR 159 N 0.54 2.17 0.13 3.50 1.51 0.08 -0.84 117.35 124.44 1jhj s TYR 159 Ca -0.08 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.65 1jhj s TYR 159 Cb -0.11 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1jhj s TYR 159 CO 0.00 -0.01 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.26 1jhj s THR 160 N -0.62 3.31 0.32 -0.71 -1.32 -0.22 -0.91 115.64 115.50 1jhj s THR 160 Ca 0.10 -1.41 -0.28 0.00 -1.21 0.00 0.00 61.69 58.88 1jhj s THR 160 Cb -0.09 -2.58 -0.10 0.00 -1.51 0.00 0.00 72.50 68.22 1jhj s THR 160 CO -0.00 0.03 1.21 -2.84 -2.21 0.00 0.00 174.62 170.80 1jhj s PRO 161 N -2.45 4.41 0.00 7.08 0.02 -1.26 -1.86 135.00 140.94 1jhj s PRO 161 Ca 0.23 2.00 0.18 0.00 0.02 0.00 0.00 61.00 63.42 1jhj s PRO 161 Cb -0.10 -3.05 0.14 0.00 0.02 0.00 0.00 34.50 31.51 1jhj s PRO 161 CO 0.14 -0.06 1.06 0.28 -0.33 0.00 0.00 177.00 178.10