#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5j s GLU 2 N 0.00 2.02 0.26 1.43 -1.05 -1.26 -4.99 118.70 115.11 3h5j s GLU 2 Ca 0.00 -1.03 -0.30 0.00 -0.15 0.00 0.00 54.97 53.50 3h5j s GLU 2 Cb 0.00 -2.20 -0.09 0.00 -0.44 0.00 0.00 34.13 31.40 3h5j s GLU 2 CO 0.00 0.52 1.13 0.00 0.95 0.00 0.00 175.26 177.86 3h5j s ALA 3 N -1.03 3.42 -0.33 -0.84 0.00 -1.26 -4.52 121.76 117.19 3h5j s ALA 3 Ca 0.17 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 3h5j s ALA 3 Cb -0.11 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3h5j s ALA 3 CO 0.08 -0.23 0.21 0.12 0.00 0.00 0.00 175.76 175.94 3h5j s PHE 4 N -0.91 3.21 0.01 0.00 5.36 0.20 -4.91 117.98 120.94 3h5j s PHE 4 Ca 0.46 -0.39 -0.00 0.00 -0.96 0.00 0.00 56.93 56.05 3h5j s PHE 4 Cb -0.32 -2.43 -0.00 0.00 -0.34 0.00 0.00 43.02 39.92 3h5j s PHE 4 CO 0.41 -0.41 -0.01 0.72 -1.46 0.00 0.00 175.22 174.47 3h5j n HIS 5 N 5.06 0.00 -3.88 10.12 8.25 -1.26 -3.58 115.22 129.93 3h5j n HIS 5 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 3h5j n HIS 5 Cb 0.49 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.47 3h5j n HIS 5 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3h5j s THR 6 N -2.01 0.06 -0.02 1.59 2.01 -1.26 -0.71 115.64 115.30 3h5j s THR 6 Ca -0.01 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3h5j s THR 6 Cb 0.00 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.20 3h5j s THR 6 CO 0.01 -0.29 0.01 -2.28 -0.69 0.00 0.00 174.62 171.38 3h5j s HIS 7 N -0.98 0.22 -0.09 4.92 5.04 -0.59 -5.00 115.29 118.81 3h5j s HIS 7 Ca -0.11 0.03 0.04 0.00 -1.54 0.00 0.00 55.06 53.49 3h5j s HIS 7 Cb -0.06 -0.33 -0.00 0.00 0.04 0.00 0.00 32.58 32.23 3h5j s HIS 7 CO 0.01 -0.11 -0.24 -1.12 -2.34 0.00 0.00 174.74 170.94 3h5j s SER 8 N 0.93 3.05 0.20 9.88 0.01 -1.26 -0.72 113.70 125.79 3h5j s SER 8 Ca -0.09 -0.55 -0.22 0.00 1.31 0.00 0.00 55.95 56.40 3h5j s SER 8 Cb -0.12 -1.30 0.07 0.00 0.21 0.00 0.00 66.02 64.87 3h5j s SER 8 CO -0.02 0.17 0.98 -0.83 0.41 0.00 0.00 173.24 173.95 3h5j s GLY 9 N 0.26 0.01 0.19 3.44 0.00 -0.73 -4.97 107.32 105.52 3h5j s GLY 9 Ca -0.16 -0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.04 3h5j s GLY 9 CO 0.08 1.16 1.57 -0.42 0.00 0.00 0.00 173.10 175.49 3h5j s ILE 10 N -2.62 2.51 0.20 0.90 1.01 -1.26 -0.74 121.20 121.19 3h5j s ILE 10 Ca 0.17 0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.97 3h5j s ILE 10 Cb -0.02 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.12 3h5j s ILE 10 CO 0.05 0.04 0.77 -0.83 0.00 0.00 0.00 174.94 174.97 3h5j s GLY 11 N 0.96 2.81 -0.19 6.18 0.00 -0.91 -1.55 107.32 114.63 3h5j s GLY 11 Ca 0.68 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.71 3h5j s GLY 11 CO 0.35 0.76 -0.17 0.14 0.00 0.00 0.00 173.10 174.17 3h5j s VAL 12 N -1.31 2.23 -0.53 1.40 1.01 0.48 -4.71 120.40 118.96 3h5j s VAL 12 Ca 0.39 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 3h5j s VAL 12 Cb -0.21 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.24 3h5j s VAL 12 CO 0.24 0.48 0.88 -2.16 0.00 0.00 0.00 175.10 174.54 3h5j s PRO 13 N 1.30 3.31 -0.50 2.72 0.04 -1.26 -0.76 135.00 139.85 3h5j s PRO 13 Ca 0.04 -0.34 -0.06 0.00 0.04 0.00 0.00 61.00 60.69 3h5j s PRO 13 Cb -0.14 -4.05 0.13 0.00 0.04 0.00 0.00 34.50 30.49 3h5j s PRO 13 CO -0.11 -1.40 0.33 -1.17 0.04 0.00 0.00 177.00 174.69 3h5j s LEU 14 N 3.67 5.48 -1.36 -3.56 2.96 0.02 -4.94 118.68 120.96 3h5j s LEU 14 Ca 0.28 -2.21 -0.09 0.00 -0.22 0.00 0.00 54.13 51.89 3h5j s LEU 14 Cb -0.13 -1.92 0.10 0.00 0.50 0.00 0.00 46.19 44.74 3h5j s LEU 14 CO 0.19 -0.56 2.22 0.54 -1.32 0.00 0.00 176.35 177.41 3h5j n ARG 15 N 4.42 3.81 -4.50 1.98 1.74 -1.26 -2.83 116.66 120.02 3h5j n ARG 15 Ca -0.01 -3.20 -0.23 0.00 -0.77 0.00 0.00 57.85 53.63 3h5j n ARG 15 Cb 0.41 -2.88 -0.16 0.00 -1.02 0.00 0.00 32.46 28.81 3h5j n ARG 15 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h5j s ARG 16 N 0.56 1.47 0.23 5.56 1.81 -1.26 -4.95 118.95 122.37 3h5j s ARG 16 Ca 0.49 -0.35 0.08 0.00 -1.72 0.00 0.00 55.73 54.23 3h5j s ARG 16 Cb 0.14 -1.25 -0.04 0.00 -0.45 0.00 0.00 34.95 33.35 3h5j s ARG 16 CO -0.05 0.02 0.04 -1.12 -0.68 0.00 0.00 175.30 173.52 3h5j s SER 17 N 0.64 4.82 -1.57 0.23 0.01 -1.26 -1.55 113.70 115.02 3h5j s SER 17 Ca -0.13 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 3h5j s SER 17 Cb -0.15 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.07 3h5j s SER 17 CO 0.03 0.02 0.50 0.59 0.41 0.00 0.00 173.24 174.79 3h5j n ASN 18 N -0.69 -6.04 -4.68 2.44 3.02 0.43 -4.87 115.26 104.87 3h5j n ASN 18 Ca -0.08 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 3h5j n ASN 18 Cb 0.57 -4.88 -0.03 0.00 -0.61 0.00 0.00 39.78 34.84 3h5j n ASN 18 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h5j s VAL 19 N -3.15 3.64 0.31 2.41 1.01 -1.05 -4.78 120.40 118.80 3h5j s VAL 19 Ca 0.25 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.21 3h5j s VAL 19 Cb -0.11 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3h5j s VAL 19 CO 0.31 -0.02 0.50 1.51 0.00 0.00 0.00 175.10 177.40 3h5j s ASP 20 N 2.22 6.32 0.32 3.32 1.47 -1.26 -0.30 116.67 128.76 3h5j s ASP 20 Ca 0.66 0.41 0.07 0.00 1.18 0.00 0.00 52.55 54.87 3h5j s ASP 20 Cb -0.32 -2.01 0.75 0.00 -0.34 0.00 0.00 42.92 41.00 3h5j s ASP 20 CO 0.27 -0.23 1.80 0.00 0.68 0.00 0.00 175.17 177.69 3h5j h THR 21 N 0.94 0.75 0.00 2.11 1.03 -1.82 -1.05 112.91 114.87 3h5j h THR 21 Ca -0.50 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 3h5j h THR 21 Cb 1.22 -0.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 3h5j h THR 21 CO 0.62 0.14 0.00 -0.78 -0.01 0.00 0.00 175.52 175.49 3h5j h ASP 22 N 0.76 0.00 0.20 0.00 3.58 -1.93 -0.03 116.42 119.00 3h5j h ASP 22 Ca 0.55 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.70 3h5j h ASP 22 Cb 0.85 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.93 3h5j h ASP 22 CO -0.33 0.00 -1.25 1.56 -2.88 0.00 0.00 179.24 176.34 3h5j h GLN 23 N 0.00 0.57 -0.48 0.28 4.20 -1.60 -2.77 115.11 115.31 3h5j h GLN 23 Ca 0.00 -0.79 -0.03 0.00 0.06 0.00 0.00 58.65 57.89 3h5j h GLN 23 Cb 0.62 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3h5j h GLN 23 CO 0.00 1.36 0.16 0.82 -0.67 0.00 0.00 178.83 180.50 3h5j h ILE 24 N 0.24 1.22 -1.88 2.54 2.04 -0.86 -3.25 117.51 117.57 3h5j h ILE 24 Ca -0.18 -0.72 -0.16 0.00 1.00 0.00 0.00 64.86 64.80 3h5j h ILE 24 Cb 1.93 0.79 -0.30 0.00 -0.74 0.00 0.00 36.82 38.50 3h5j h ILE 24 CO 0.24 0.26 -0.49 -0.51 0.00 0.00 0.00 178.15 177.65 3h5j s ILE 25 N -5.45 -0.60 0.66 -0.67 2.07 -0.08 -0.36 121.20 116.77 3h5j s ILE 25 Ca -0.13 -0.10 -0.17 0.00 -1.41 0.00 0.00 60.65 58.84 3h5j s ILE 25 Cb 0.11 -0.83 -0.00 0.00 0.13 0.00 0.00 42.46 41.87 3h5j s ILE 25 CO 0.78 -0.14 1.25 -2.65 -1.91 0.00 0.00 174.94 172.27 3h5j n PRO 26 N 5.36 0.99 -0.29 3.50 -0.02 -1.04 -4.24 135.00 139.27 3h5j n PRO 26 Ca -0.03 0.40 0.17 0.00 -2.02 0.00 0.00 63.50 62.02 3h5j n PRO 26 Cb 0.50 -2.49 0.44 0.00 -0.02 0.00 0.00 33.50 31.93 3h5j n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5j h ALA 27 N 0.36 2.02 0.00 3.55 0.00 -1.92 -1.32 119.26 121.95 3h5j h ALA 27 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h5j h ALA 27 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3h5j h ALA 27 CO 0.52 -0.34 0.00 -0.24 0.00 0.00 0.00 179.25 179.19 3h5j h VAL 28 N 0.54 0.00 -0.00 0.00 3.04 -1.98 -1.52 116.25 116.33 3h5j h VAL 28 Ca 0.51 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 3h5j h VAL 28 Cb 1.09 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3h5j h VAL 28 CO -0.25 0.00 -0.28 0.49 -1.01 0.00 0.00 177.57 176.52 3h5j n PHE 29 N -2.96 0.00 -0.71 3.17 3.72 -0.50 -4.24 117.46 115.95 3h5j n PHE 29 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 3h5j n PHE 29 Cb 0.17 -0.21 0.33 0.00 -0.94 0.00 0.00 39.48 38.83 3h5j n PHE 29 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3h5j n LEU 30 N -1.08 4.67 0.06 4.37 4.77 -0.57 -3.89 117.00 125.34 3h5j n LEU 30 Ca 0.10 -2.62 0.13 0.00 -0.03 0.00 0.00 56.01 53.59 3h5j n LEU 30 Cb 0.33 -0.57 0.40 0.00 -2.33 0.00 0.00 43.42 41.25 3h5j n LEU 30 CO 0.28 0.74 0.76 0.29 -1.33 0.00 0.00 177.39 178.13 3h5j n LYS 31 N 0.67 0.17 -1.76 3.23 5.02 -1.26 -4.87 118.16 119.36 3h5j n LYS 31 Ca 0.24 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 56.23 3h5j n LYS 31 Cb 0.92 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 3h5j n LYS 31 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3h5j s ARG 32 N -3.08 4.13 0.00 1.97 1.81 -1.25 -4.91 118.95 117.63 3h5j s ARG 32 Ca 0.11 2.57 0.22 0.00 -1.72 0.00 0.00 55.73 56.91 3h5j s ARG 32 Cb 0.15 -3.07 -0.17 0.00 -0.45 0.00 0.00 34.95 31.41 3h5j s ARG 32 CO 0.61 -0.70 0.86 0.28 -0.68 0.00 0.00 175.30 175.67 3h5j n VAL 33 N 3.47 0.03 -2.34 3.52 0.31 -1.26 -4.96 118.33 117.11 3h5j n VAL 33 Ca 0.13 -0.15 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 3h5j n VAL 33 Cb 0.36 0.62 0.13 0.00 -0.91 0.00 0.00 33.84 34.04 3h5j n VAL 33 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3h5j s THR 34 N -3.14 2.10 -0.28 2.52 -4.23 -1.26 -5.04 115.64 106.31 3h5j s THR 34 Ca 0.04 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 3h5j s THR 34 Cb 0.15 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 3h5j s THR 34 CO 0.86 0.00 0.28 0.54 -0.54 0.00 0.00 174.62 175.76 3h5j n ARG 35 N -3.16 3.81 -1.23 3.99 1.74 -1.26 -5.02 116.66 115.53 3h5j n ARG 35 Ca 0.15 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 3h5j n ARG 35 Cb 0.60 -0.90 0.10 0.00 -1.02 0.00 0.00 32.46 31.23 3h5j n ARG 35 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h5j n THR 36 N -1.28 2.19 0.00 0.55 -2.24 -1.26 -4.81 114.28 107.43 3h5j n THR 36 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3h5j n THR 36 Cb 0.13 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 3h5j n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h5j n GLY 37 N 1.11 0.00 1.27 3.38 0.00 -1.26 -4.93 105.19 104.76 3h5j n GLY 37 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3h5j n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h5j n PHE 38 N 0.00 1.08 -0.11 1.61 3.01 -1.26 -4.54 117.46 117.25 3h5j n PHE 38 Ca 0.00 -0.46 0.04 0.00 1.01 0.00 0.00 57.45 58.04 3h5j n PHE 38 Cb 0.00 -0.14 0.36 0.00 -0.01 0.00 0.00 39.48 39.69 3h5j n PHE 38 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3h5j h GLU 39 N 3.43 0.72 0.00 -1.08 9.09 -1.83 -0.94 114.58 123.96 3h5j h GLU 39 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 3h5j h GLU 39 Cb 1.08 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 3h5j h GLU 39 CO 0.12 0.47 0.00 0.38 0.05 0.00 0.00 179.01 180.04 3h5j h ASP 40 N 0.74 0.00 1.68 3.06 2.03 -1.93 -2.64 116.42 119.37 3h5j h ASP 40 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3h5j h ASP 40 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 3h5j h ASP 40 CO -0.06 0.00 -0.11 1.23 -1.03 0.00 0.00 179.24 179.27 3h5j h GLY 41 N 2.15 0.00 -5.29 7.15 0.00 -1.51 -3.42 103.07 102.15 3h5j h GLY 41 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3h5j h GLY 41 CO 0.00 0.00 1.22 -2.27 0.00 0.00 0.00 176.54 175.49 3h5j s LEU 42 N -5.47 4.43 -1.29 3.11 2.96 -0.99 -1.85 118.68 119.58 3h5j s LEU 42 Ca 0.08 2.70 -0.07 0.00 -0.22 0.00 0.00 54.13 56.62 3h5j s LEU 42 Cb 0.08 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.28 3h5j s LEU 42 CO 0.66 -1.05 0.42 0.49 -1.32 0.00 0.00 176.35 175.55 3h5j n PHE 43 N 7.23 -1.75 0.09 5.38 3.72 0.51 -4.83 117.46 127.80 3h5j n PHE 43 Ca 0.20 0.39 -0.01 0.00 -0.05 0.00 0.00 57.45 57.98 3h5j n PHE 43 Cb 0.40 -3.22 0.28 0.00 -0.94 0.00 0.00 39.48 36.01 3h5j n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h5j h ALA 44 N 0.98 1.26 -0.05 4.37 0.00 -1.56 -0.10 119.26 124.16 3h5j h ALA 44 Ca -0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3h5j h ALA 44 Cb 1.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h5j h ALA 44 CO 0.50 0.49 0.01 0.78 0.00 0.00 0.00 179.25 181.03 3h5j h GLY 45 N 1.00 0.09 2.00 0.00 0.00 -1.85 -3.15 103.07 101.15 3h5j h GLY 45 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3h5j h GLY 45 CO 0.04 0.05 -0.20 1.49 0.00 0.00 0.00 176.54 177.93 3h5j h TRP 46 N -0.17 0.00 0.00 5.60 6.55 -1.73 -2.10 115.95 124.11 3h5j h TRP 46 Ca 0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.85 3h5j h TRP 46 Cb 0.28 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 3h5j h TRP 46 CO 0.02 0.20 0.00 0.54 -1.05 0.00 0.00 178.44 178.15 3h5j n ARG 47 N -3.96 0.19 0.28 0.49 1.74 -0.11 -2.26 116.66 113.03 3h5j n ARG 47 Ca -0.02 0.13 0.16 0.00 -0.77 0.00 0.00 57.85 57.35 3h5j n ARG 47 Cb 0.28 -1.50 0.83 0.00 -1.02 0.00 0.00 32.46 31.05 3h5j n ARG 47 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3h5j h SER 48 N 0.00 0.00 -3.49 0.55 0.02 -1.42 -3.41 113.55 105.80 3h5j h SER 48 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3h5j h SER 48 Cb 0.21 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.64 3h5j h SER 48 CO 0.00 0.07 0.10 -0.62 -1.14 0.00 0.00 176.83 175.24 3h5j s ASP 49 N -5.87 6.57 0.38 3.07 -1.08 -0.96 -4.95 116.67 113.83 3h5j s ASP 49 Ca -0.03 0.69 0.27 0.00 -0.52 0.00 0.00 52.55 52.96 3h5j s ASP 49 Cb 0.12 -2.32 1.36 0.00 -1.46 0.00 0.00 42.92 40.62 3h5j s ASP 49 CO 0.54 -0.31 1.81 1.55 0.52 0.00 0.00 175.17 179.27 3h5j h PRO 50 N 7.79 0.00 -0.02 4.34 0.13 -1.89 -0.64 132.00 141.71 3h5j h PRO 50 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3h5j h PRO 50 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3h5j h PRO 50 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 3h5j n ALA 51 N -1.85 2.54 -1.77 -0.56 0.00 -1.26 -4.65 120.51 112.96 3h5j n ALA 51 Ca -0.01 -0.52 -0.40 0.00 0.00 0.00 0.00 53.44 52.51 3h5j n ALA 51 Cb 0.09 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 3h5j n ALA 51 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h5j s PHE 52 N -1.99 2.74 0.35 0.00 5.36 -0.25 -4.87 117.98 119.31 3h5j s PHE 52 Ca 0.35 1.34 0.06 0.00 -0.96 0.00 0.00 56.93 57.72 3h5j s PHE 52 Cb 0.21 -3.78 0.73 0.00 -0.34 0.00 0.00 43.02 39.84 3h5j s PHE 52 CO 0.32 -2.38 1.91 -0.24 -1.46 0.00 0.00 175.22 173.37 3h5j h VAL 53 N 2.60 0.95 0.00 3.12 3.04 -1.91 -0.11 116.25 123.94 3h5j h VAL 53 Ca -0.50 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 3h5j h VAL 53 Cb 1.25 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3h5j h VAL 53 CO 0.63 0.14 0.00 -0.11 -1.01 0.00 0.00 177.57 177.22 3h5j n LEU 54 N -4.51 0.20 -0.12 3.16 7.94 -1.26 -1.84 117.00 120.57 3h5j n LEU 54 Ca 0.14 0.54 0.13 0.00 -1.11 0.00 0.00 56.01 55.71 3h5j n LEU 54 Cb 0.32 -0.49 0.46 0.00 0.53 0.00 0.00 43.42 44.24 3h5j n LEU 54 CO 0.32 -0.23 0.72 0.59 -1.11 0.00 0.00 177.39 177.68 3h5j n ASN 55 N -1.71 0.60 -4.79 1.96 3.02 -0.05 -3.67 115.26 110.61 3h5j n ASN 55 Ca 0.04 -0.49 -0.36 0.00 -0.03 0.00 0.00 54.58 53.74 3h5j n ASN 55 Cb 0.26 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 3h5j n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h5j s LEU 56 N -2.65 4.31 0.36 3.41 1.43 -0.76 -4.87 118.68 119.90 3h5j s LEU 56 Ca 0.22 0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 53.50 3h5j s LEU 56 Cb 0.19 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 3h5j s LEU 56 CO 0.54 0.26 1.22 -0.55 0.23 0.00 0.00 176.35 178.05 3h5j s SER 57 N -0.24 6.67 0.00 2.29 0.15 -1.26 -0.53 113.70 120.78 3h5j s SER 57 Ca 0.14 2.48 0.17 0.00 0.70 0.00 0.00 55.95 59.44 3h5j s SER 57 Cb -0.12 -2.63 0.50 0.00 -1.71 0.00 0.00 66.02 62.06 3h5j s SER 57 CO 0.03 -0.58 1.40 -0.81 1.20 0.00 0.00 173.24 174.48 3h5j n PRO 58 N 0.46 2.03 0.27 5.44 -0.04 -1.26 -4.88 135.00 137.02 3h5j n PRO 58 Ca 0.02 -1.58 0.13 0.00 -0.04 0.00 0.00 63.50 62.04 3h5j n PRO 58 Cb 0.44 -1.39 0.77 0.00 -0.04 0.00 0.00 33.50 33.29 3h5j n PRO 58 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3h5j h PHE 59 N 2.77 0.00 0.00 0.54 0.04 -1.08 -0.99 116.94 118.22 3h5j h PHE 59 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h5j h PHE 59 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 3h5j h PHE 59 CO 0.25 0.09 0.00 0.38 -0.60 0.00 0.00 178.31 178.43 3h5j h ASP 60 N 0.00 0.00 -0.49 2.17 2.03 -1.27 0.32 116.42 119.17 3h5j h ASP 60 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3h5j h ASP 60 Cb 0.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 3h5j h ASP 60 CO 0.01 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.76 3h5j n ARG 61 N -2.89 3.91 -1.72 4.15 1.74 -0.38 -5.03 116.66 116.45 3h5j n ARG 61 Ca -0.02 -2.93 -0.34 0.00 -0.77 0.00 0.00 57.85 53.79 3h5j n ARG 61 Cb 0.11 -1.98 0.06 0.00 -1.02 0.00 0.00 32.46 29.62 3h5j n ARG 61 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h5j s GLY 62 N -1.17 2.38 0.00 -0.13 0.00 0.10 -4.63 107.32 103.87 3h5j s GLY 62 Ca 0.48 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.99 3h5j s GLY 62 CO 0.16 1.17 0.23 -1.14 0.00 0.00 0.00 173.10 173.52 3h5j n SER 63 N -2.29 0.33 -3.96 1.64 3.41 -0.59 -4.40 113.62 107.76 3h5j n SER 63 Ca 0.12 -1.05 -0.30 0.00 -0.26 0.00 0.00 58.87 57.38 3h5j n SER 63 Cb 0.51 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 3h5j n SER 63 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h5j s VAL 64 N -0.05 1.47 -0.23 -3.33 1.01 -0.96 -1.03 120.40 117.28 3h5j s VAL 64 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 3h5j s VAL 64 Cb 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3h5j s VAL 64 CO 0.00 0.14 0.31 -0.22 0.00 0.00 0.00 175.10 175.33 3h5j s LEU 65 N 1.47 4.11 -0.42 3.92 2.96 -0.13 -0.39 118.68 130.20 3h5j s LEU 65 Ca -0.01 0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 54.11 3h5j s LEU 65 Cb -0.16 -2.35 0.07 0.00 0.50 0.00 0.00 46.19 44.25 3h5j s LEU 65 CO -0.08 -0.06 0.27 -0.69 -1.32 0.00 0.00 176.35 174.47 3h5j s VAL 66 N 1.45 4.41 0.37 1.68 1.01 0.06 -0.23 120.40 129.16 3h5j s VAL 66 Ca 0.14 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 60.92 3h5j s VAL 66 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3h5j s VAL 66 CO 0.08 -0.48 0.23 0.00 0.00 0.00 0.00 175.10 174.93 3h5j s ALA 67 N 1.47 3.71 1.04 5.51 0.00 0.01 -0.80 121.76 132.71 3h5j s ALA 67 Ca 0.03 -1.85 -0.17 0.00 0.00 0.00 0.00 51.96 49.97 3h5j s ALA 67 Cb -0.23 -0.83 0.22 0.00 0.00 0.00 0.00 23.12 22.29 3h5j s ALA 67 CO 0.03 -0.06 1.23 0.20 0.00 0.00 0.00 175.76 177.16 3h5j s GLY 68 N -3.95 1.69 0.63 0.00 0.00 -0.59 -4.43 107.32 100.67 3h5j s GLY 68 Ca 0.41 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 43.91 3h5j s GLY 68 CO 0.25 -0.25 1.26 2.56 0.00 0.00 0.00 173.10 176.91 3h5j s PRO 69 N -5.66 2.68 -0.78 2.90 0.04 -1.26 -3.65 135.00 129.27 3h5j s PRO 69 Ca 0.72 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.68 3h5j s PRO 69 Cb -0.07 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3h5j s PRO 69 CO 0.54 -1.47 0.67 -0.25 0.04 0.00 0.00 177.00 176.53 3h5j n ASP 70 N -1.84 -3.65 -4.71 6.66 8.00 0.84 -0.42 116.55 121.42 3h5j n ASP 70 Ca 0.15 -0.34 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 3h5j n ASP 70 Cb 0.49 -3.24 -0.03 0.00 -0.02 0.00 0.00 41.12 38.32 3h5j n ASP 70 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3h5j s PHE 71 N -3.20 3.25 -0.80 1.24 5.36 -0.73 -2.51 117.98 120.59 3h5j s PHE 71 Ca 0.22 1.12 -0.00 0.00 -0.96 0.00 0.00 56.93 57.31 3h5j s PHE 71 Cb -0.10 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 3h5j s PHE 71 CO 0.44 -1.74 0.01 0.41 -1.46 0.00 0.00 175.22 172.88 3h5j n GLY 72 N 3.38 -0.01 3.75 13.12 0.00 0.59 -1.30 105.19 124.73 3h5j n GLY 72 Ca 0.11 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3h5j n GLY 72 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h5j s THR 73 N -2.48 2.36 0.00 2.61 -1.32 -1.06 -3.08 115.64 112.66 3h5j s THR 73 Ca 0.01 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 3h5j s THR 73 Cb -0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 3h5j s THR 73 CO 0.01 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3h5j n GLY 74 N 0.65 -1.26 3.78 6.08 0.00 -1.26 -4.62 105.19 108.57 3h5j n GLY 74 Ca 0.10 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 3h5j n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h5j s SER 75 N -4.00 7.07 0.17 1.61 0.01 -1.26 -4.57 113.70 112.73 3h5j s SER 75 Ca 0.00 1.93 -0.11 0.00 1.31 0.00 0.00 55.95 59.08 3h5j s SER 75 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3h5j s SER 75 CO 0.00 -0.26 0.33 -0.94 0.41 0.00 0.00 173.24 172.78 3h5j s SER 76 N -1.59 -0.02 0.04 2.44 1.04 -1.26 -4.46 113.70 109.89 3h5j s SER 76 Ca 0.54 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 3h5j s SER 76 Cb -0.20 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 3h5j s SER 76 CO 0.25 -0.92 0.25 -0.13 0.98 0.00 0.00 173.24 173.67 3h5j s ARG 77 N -3.94 3.50 0.46 4.02 1.81 -1.26 -4.87 118.95 118.67 3h5j s ARG 77 Ca 0.15 -0.26 0.18 0.00 -1.72 0.00 0.00 55.73 54.07 3h5j s ARG 77 Cb 0.02 -3.03 1.14 0.00 -0.45 0.00 0.00 34.95 32.63 3h5j s ARG 77 CO -0.01 0.61 1.95 0.93 -0.68 0.00 0.00 175.30 178.10 3h5j h GLU 78 N 3.44 0.30 0.00 3.54 3.07 -2.00 -1.52 114.58 121.40 3h5j h GLU 78 Ca -0.47 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3h5j h GLU 78 Cb 1.18 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3h5j h GLU 78 CO 0.71 0.20 -0.02 0.45 -1.40 0.00 0.00 179.01 178.95 3h5j h HIS 79 N 0.31 0.00 -0.55 4.33 3.86 -1.98 -1.67 115.15 119.44 3h5j h HIS 79 Ca 0.33 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.51 3h5j h HIS 79 Cb 0.86 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 3h5j h HIS 79 CO -0.00 0.02 0.23 0.00 0.86 0.00 0.00 177.93 179.04 3h5j h ALA 80 N 1.98 0.71 -0.33 2.45 0.00 -1.62 0.95 119.26 123.40 3h5j h ALA 80 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3h5j h ALA 80 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h5j h ALA 80 CO 0.00 0.32 -0.28 0.28 0.00 0.00 0.00 179.25 179.57 3h5j h VAL 81 N 0.75 1.29 -0.93 0.00 2.07 -1.48 -2.67 116.25 115.28 3h5j h VAL 81 Ca 0.18 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 3h5j h VAL 81 Cb 0.19 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3h5j h VAL 81 CO -0.02 0.47 0.56 -0.50 0.02 0.00 0.00 177.57 178.11 3h5j h TRP 82 N 0.55 1.22 -0.42 1.57 6.55 -1.18 -0.67 115.95 123.57 3h5j h TRP 82 Ca 0.06 -0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.86 3h5j h TRP 82 Cb 0.85 -0.40 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 3h5j h TRP 82 CO 0.07 0.81 0.11 0.00 -1.05 0.00 0.00 178.44 178.37 3h5j h ALA 83 N 1.34 0.55 -0.00 1.49 0.00 -0.74 0.28 119.26 122.18 3h5j h ALA 83 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h5j h ALA 83 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3h5j h ALA 83 CO -0.06 0.23 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 3h5j h LEU 84 N 0.54 -0.05 -0.44 0.00 3.38 -1.12 -2.03 115.31 115.59 3h5j h LEU 84 Ca 0.13 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3h5j h LEU 84 Cb 0.31 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3h5j h LEU 84 CO 0.00 -0.02 0.11 0.24 0.09 0.00 0.00 178.44 178.86 3h5j h MET 85 N -0.03 0.70 -0.09 1.13 2.86 -0.85 -1.01 114.93 117.64 3h5j h MET 85 Ca 0.01 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 3h5j h MET 85 Cb 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3h5j h MET 85 CO -0.02 0.70 -0.27 -0.44 1.06 0.00 0.00 176.91 177.94 3h5j h ASP 86 N 0.58 0.17 0.55 1.22 3.32 -0.35 -1.04 116.42 120.86 3h5j h ASP 86 Ca 0.14 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3h5j h ASP 86 Cb 0.31 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3h5j h ASP 86 CO 0.00 0.44 -0.26 0.22 -1.72 0.00 0.00 179.24 177.93 3h5j h TYR 87 N 0.15 0.00 0.00 4.55 3.20 -1.15 -3.43 116.97 120.30 3h5j h TYR 87 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3h5j h TYR 87 Cb 0.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3h5j h TYR 87 CO 0.01 0.26 0.00 0.41 -1.64 0.00 0.00 178.16 177.20 3h5j n GLY 88 N -0.31 0.85 3.74 1.82 0.00 -0.39 -5.00 105.19 105.90 3h5j n GLY 88 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h5j n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5j s PHE 89 N -1.61 3.33 -0.15 1.61 0.08 -0.40 -4.54 117.98 116.30 3h5j s PHE 89 Ca 0.00 1.35 0.04 0.00 0.12 0.00 0.00 56.93 58.44 3h5j s PHE 89 Cb 0.00 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.88 3h5j s PHE 89 CO 0.00 -1.52 0.16 0.54 -0.10 0.00 0.00 175.22 174.30 3h5j n ARG 90 N 2.38 4.09 -3.93 0.44 5.12 -0.20 -3.99 116.66 120.57 3h5j n ARG 90 Ca 0.05 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.81 3h5j n ARG 90 Cb 0.44 -0.81 -0.15 0.00 -1.16 0.00 0.00 32.46 30.77 3h5j n ARG 90 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h5j s VAL 91 N -1.66 0.13 -0.07 1.55 1.01 -1.14 -1.70 120.40 118.53 3h5j s VAL 91 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.05 3h5j s VAL 91 Cb 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.23 3h5j s VAL 91 CO 0.18 0.09 -0.23 -0.69 0.00 0.00 0.00 175.10 174.45 3h5j s VAL 92 N 0.48 1.94 -0.12 2.92 1.01 0.23 -0.95 120.40 125.91 3h5j s VAL 92 Ca -0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 3h5j s VAL 92 Cb -0.07 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3h5j s VAL 92 CO -0.01 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 3h5j s ILE 93 N 0.10 3.32 0.08 2.22 1.01 0.68 -0.77 121.20 127.85 3h5j s ILE 93 Ca -0.10 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 3h5j s ILE 93 Cb -0.15 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.97 3h5j s ILE 93 CO 0.06 0.53 0.49 -0.55 0.00 0.00 0.00 174.94 175.47 3h5j s SER 94 N 0.14 -0.40 0.10 3.58 0.15 -1.07 -0.81 113.70 115.39 3h5j s SER 94 Ca -0.05 0.02 0.27 0.00 0.70 0.00 0.00 55.95 56.89 3h5j s SER 94 Cb -0.14 0.50 0.84 0.00 -1.71 0.00 0.00 66.02 65.50 3h5j s SER 94 CO 0.04 -0.78 1.71 -1.54 1.20 0.00 0.00 173.24 173.87 3h5j n SER 95 N 0.16 0.48 -3.65 5.45 3.41 -1.20 -1.45 113.62 116.82 3h5j n SER 95 Ca -0.18 0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 58.72 3h5j n SER 95 Cb 0.62 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 64.09 3h5j n SER 95 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3h5j s ARG 96 N -3.06 0.65 0.16 4.33 3.52 -1.26 -4.69 118.95 118.60 3h5j s ARG 96 Ca 0.11 1.10 0.06 0.00 -0.13 0.00 0.00 55.73 56.88 3h5j s ARG 96 Cb 0.15 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 3h5j s ARG 96 CO 0.61 -0.14 0.04 -0.06 -0.81 0.00 0.00 175.30 174.93 3h5j s PHE 97 N 1.44 2.95 0.36 5.12 0.08 -1.26 -0.11 117.98 126.55 3h5j s PHE 97 Ca -0.09 -0.09 -0.28 0.00 0.12 0.00 0.00 56.93 56.59 3h5j s PHE 97 Cb -0.06 -1.43 -0.11 0.00 -0.57 0.00 0.00 43.02 40.85 3h5j s PHE 97 CO -0.16 0.52 1.49 0.20 -0.10 0.00 0.00 175.22 177.17 3h5j s GLY 98 N -2.94 2.79 0.25 4.36 0.00 -0.42 -4.89 107.32 106.48 3h5j s GLY 98 Ca 0.28 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.56 3h5j s GLY 98 CO 0.20 2.29 1.65 -0.55 0.00 0.00 0.00 173.10 176.69 3h5j h ASP 99 N 3.38 0.55 -0.26 1.64 5.19 -1.84 -0.52 116.42 124.55 3h5j h ASP 99 Ca -0.50 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 55.65 3h5j h ASP 99 Cb 1.23 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 3h5j h ASP 99 CO 0.67 0.85 0.01 0.40 -3.12 0.00 0.00 179.24 178.05 3h5j h ILE 100 N 0.45 1.25 -0.31 0.35 2.04 -1.88 -1.02 117.51 118.40 3h5j h ILE 100 Ca 0.05 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.08 3h5j h ILE 100 Cb 0.81 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3h5j h ILE 100 CO 0.07 0.28 -0.02 0.15 0.00 0.00 0.00 178.15 178.63 3h5j h PHE 101 N 0.24 -0.05 -0.74 1.37 3.57 -1.75 -1.21 116.94 118.37 3h5j h PHE 101 Ca 0.07 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3h5j h PHE 101 Cb 0.40 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3h5j h PHE 101 CO 0.03 -0.07 0.48 -0.09 -2.23 0.00 0.00 178.31 176.43 3h5j h ARG 102 N 0.07 0.92 -0.43 1.11 2.43 -0.85 0.73 114.38 118.37 3h5j h ARG 102 Ca 0.15 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3h5j h ARG 102 Cb 0.20 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3h5j h ARG 102 CO -0.26 0.61 -0.06 0.78 -1.51 0.00 0.00 179.97 179.53 3h5j h GLY 103 N 0.95 0.85 1.02 2.80 0.00 -0.92 -2.75 103.07 105.02 3h5j h GLY 103 Ca 0.28 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3h5j h GLY 103 CO -0.08 0.61 0.50 3.43 0.00 0.00 0.00 176.54 181.00 3h5j h ASN 104 N 0.62 1.07 0.15 0.19 2.35 -0.76 -2.35 115.58 116.86 3h5j h ASN 104 Ca 0.11 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3h5j h ASN 104 Cb 0.57 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3h5j h ASN 104 CO 0.03 0.85 -0.19 0.00 -1.65 0.00 0.00 177.43 176.47 3h5j h ALA 105 N 1.27 -0.35 -0.06 -0.83 0.00 -0.71 -2.03 119.26 116.55 3h5j h ALA 105 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3h5j h ALA 105 Cb -0.01 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h5j h ALA 105 CO -0.05 -0.73 -0.09 0.78 0.00 0.00 0.00 179.25 179.16 3h5j h GLY 106 N -0.39 0.10 2.00 0.00 0.00 -1.25 -0.97 103.07 102.55 3h5j h GLY 106 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3h5j h GLY 106 CO -0.08 0.05 0.00 0.50 0.00 0.00 0.00 176.54 177.01 3h5j h LYS 107 N 0.09 0.00 -0.13 4.80 1.57 -1.01 -3.33 116.57 118.56 3h5j h LYS 107 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3h5j h LYS 107 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3h5j h LYS 107 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 3h5j n ALA 108 N -1.93 2.34 -0.15 3.86 0.00 -0.72 -4.81 120.51 119.09 3h5j n ALA 108 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3h5j n ALA 108 Cb 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3h5j n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5j n GLY 109 N 0.44 0.89 3.62 0.00 0.00 -0.95 -5.02 105.19 104.17 3h5j n GLY 109 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3h5j n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5j s LEU 110 N 0.00 3.99 -0.32 0.99 2.96 -0.45 -4.95 118.68 120.90 3h5j s LEU 110 Ca 0.00 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.67 3h5j s LEU 110 Cb 0.00 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3h5j s LEU 110 CO 0.00 0.04 1.08 -0.22 -1.32 0.00 0.00 176.35 175.93 3h5j s LEU 111 N 1.20 3.92 -0.63 -0.68 2.96 -0.69 -3.40 118.68 121.36 3h5j s LEU 111 Ca 0.07 1.03 -0.15 0.00 -0.22 0.00 0.00 54.13 54.87 3h5j s LEU 111 Cb -0.14 -3.54 0.16 0.00 0.50 0.00 0.00 46.19 43.17 3h5j s LEU 111 CO 0.05 -0.89 0.58 0.00 -1.32 0.00 0.00 176.35 174.77 3h5j s ALA 112 N 3.69 3.78 -0.31 5.97 0.00 -1.26 -0.60 121.76 133.02 3h5j s ALA 112 Ca 0.46 -2.81 -0.15 0.00 0.00 0.00 0.00 51.96 49.45 3h5j s ALA 112 Cb -0.12 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3h5j s ALA 112 CO 0.16 -2.10 0.37 0.00 0.00 0.00 0.00 175.76 174.19 3h5j s ALA 113 N 1.08 3.52 -0.26 0.00 0.00 0.05 -4.84 121.76 121.31 3h5j s ALA 113 Ca 0.08 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 3h5j s ALA 113 Cb -0.23 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 3h5j s ALA 113 CO -0.01 -0.91 0.81 -2.00 0.00 0.00 0.00 175.76 173.65 3h5j s GLU 114 N 2.07 4.11 -0.00 0.00 2.12 -0.88 -2.60 118.70 123.53 3h5j s GLU 114 Ca 0.13 0.82 0.06 0.00 0.36 0.00 0.00 54.97 56.35 3h5j s GLU 114 Cb -0.16 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 3h5j s GLU 114 CO 0.11 -0.57 -0.20 0.08 -0.54 0.00 0.00 175.26 174.15 3h5j s VAL 115 N 2.88 1.58 0.46 3.70 1.01 -0.53 -0.75 120.40 128.74 3h5j s VAL 115 Ca 0.34 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 3h5j s VAL 115 Cb -0.15 -1.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 3h5j s VAL 115 CO 0.09 0.39 1.22 0.00 0.00 0.00 0.00 175.10 176.79 3h5j n ALA 116 N 2.42 1.08 -0.06 5.51 0.00 -1.26 -3.23 120.51 124.97 3h5j n ALA 116 Ca -0.16 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 3h5j n ALA 116 Cb 0.53 -2.24 0.27 0.00 0.00 0.00 0.00 19.45 18.01 3h5j n ALA 116 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3h5j h GLN 117 N 1.75 0.67 -0.68 0.00 5.75 -1.94 0.77 115.11 121.43 3h5j h GLN 117 Ca -0.48 -0.12 0.09 0.00 -0.15 0.00 0.00 58.65 57.99 3h5j h GLN 117 Cb 1.31 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.70 3h5j h GLN 117 CO 0.58 0.61 0.45 -0.44 -2.65 0.00 0.00 178.83 177.38 3h5j h ASP 118 N 0.66 0.53 0.52 -0.69 3.32 -2.00 -0.71 116.42 118.06 3h5j h ASP 118 Ca 0.15 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.00 3h5j h ASP 118 Cb 0.23 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3h5j h ASP 118 CO -0.00 0.33 -0.93 0.44 -1.72 0.00 0.00 179.24 177.35 3h5j h ASP 119 N 0.60 0.35 -0.85 6.45 3.32 -1.25 -2.55 116.42 122.49 3h5j h ASP 119 Ca 0.31 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3h5j h ASP 119 Cb 0.42 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3h5j h ASP 119 CO -0.10 1.11 0.54 0.58 -1.72 0.00 0.00 179.24 179.65 3h5j h VAL 120 N 0.14 1.11 -0.79 -1.35 2.07 -0.46 -0.79 116.25 116.17 3h5j h VAL 120 Ca -0.06 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3h5j h VAL 120 Cb 1.58 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3h5j h VAL 120 CO 0.15 0.19 0.38 -0.33 0.02 0.00 0.00 177.57 177.98 3h5j h GLU 121 N 1.03 1.14 -0.20 1.57 4.39 -0.96 0.07 114.58 121.63 3h5j h GLU 121 Ca 0.35 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3h5j h GLU 121 Cb 0.06 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3h5j h GLU 121 CO -0.13 0.89 0.07 1.25 -1.16 0.00 0.00 179.01 179.92 3h5j h LEU 122 N 1.12 0.28 -0.61 1.33 5.85 -1.03 -1.54 115.31 120.72 3h5j h LEU 122 Ca 0.27 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3h5j h LEU 122 Cb 0.12 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3h5j h LEU 122 CO -0.03 0.39 0.35 -0.07 -0.34 0.00 0.00 178.44 178.73 3h5j h LEU 123 N 0.16 0.53 -0.10 2.25 3.38 -0.66 -0.69 115.31 120.17 3h5j h LEU 123 Ca 0.06 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3h5j h LEU 123 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3h5j h LEU 123 CO -0.00 0.36 -0.06 -0.50 0.09 0.00 0.00 178.44 178.33 3h5j h TRP 124 N 0.66 -0.14 -0.75 1.13 6.55 -0.86 -1.78 115.95 120.76 3h5j h TRP 124 Ca 0.26 0.01 0.05 0.00 0.95 0.00 0.00 58.89 60.16 3h5j h TRP 124 Cb 0.11 0.08 -0.05 0.00 -0.86 0.00 0.00 29.16 28.43 3h5j h TRP 124 CO -0.07 -0.09 0.46 0.87 -1.05 0.00 0.00 178.44 178.55 3h5j h LYS 125 N -0.06 0.83 -0.17 0.49 1.57 -0.83 -0.06 116.57 118.35 3h5j h LYS 125 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3h5j h LYS 125 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3h5j h LYS 125 CO -0.14 0.55 0.06 -0.07 -0.57 0.00 0.00 179.45 179.28 3h5j h LEU 126 N 0.85 0.24 -0.49 2.94 3.38 -0.76 -1.81 115.31 119.67 3h5j h LEU 126 Ca 0.32 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3h5j h LEU 126 Cb 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3h5j h LEU 126 CO -0.16 0.37 -0.55 0.16 0.09 0.00 0.00 178.44 178.36 3h5j h ILE 127 N 0.10 1.09 -0.44 1.22 3.07 -1.16 -1.96 117.51 119.44 3h5j h ILE 127 Ca 0.05 -2.13 -0.14 0.00 1.55 0.00 0.00 64.86 64.20 3h5j h ILE 127 Cb 0.21 2.26 -0.01 0.00 -0.27 0.00 0.00 36.82 39.01 3h5j h ILE 127 CO -0.00 0.54 -0.28 -0.33 -1.05 0.00 0.00 178.15 177.03 3h5j h GLU 128 N 0.00 0.94 0.00 0.16 5.08 -0.93 -2.62 114.58 117.22 3h5j h GLU 128 Ca -0.01 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3h5j h GLU 128 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3h5j h GLU 128 CO 0.07 1.09 -0.64 0.00 -1.00 0.00 0.00 179.01 178.54 3h5j n GLN 129 N -4.09 0.07 -3.34 2.33 10.64 -0.69 -4.28 117.38 118.03 3h5j n GLN 129 Ca -0.01 0.01 -0.26 0.00 -1.83 0.00 0.00 57.00 54.92 3h5j n GLN 129 Cb 0.49 -1.53 -0.08 0.00 -0.86 0.00 0.00 30.24 28.25 3h5j n GLN 129 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3h5j n SER 130 N -1.63 2.09 -4.70 2.61 7.64 -0.75 -5.11 113.62 113.78 3h5j n SER 130 Ca 0.05 -3.09 -0.44 0.00 1.01 0.00 0.00 58.87 56.40 3h5j n SER 130 Cb 0.36 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 3h5j n SER 130 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3h5j n PRO 131 N 1.20 2.44 0.00 1.43 -0.02 -0.99 -1.06 135.00 138.00 3h5j n PRO 131 Ca 0.26 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3h5j n PRO 131 Cb 0.46 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3h5j n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h5j n GLY 132 N 3.36 1.60 3.64 -1.23 0.00 -1.26 -4.83 105.19 106.47 3h5j n GLY 132 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 3h5j n GLY 132 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h5j n LEU 133 N 0.00 2.57 -4.82 0.99 7.94 -0.23 -4.73 117.00 118.73 3h5j n LEU 133 Ca 0.00 1.12 -0.35 0.00 -1.11 0.00 0.00 56.01 55.66 3h5j n LEU 133 Cb 0.00 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 42.54 3h5j n LEU 133 CO 0.00 -0.66 0.47 -0.70 -1.11 0.00 0.00 177.39 175.40 3h5j s GLU 134 N 0.22 4.25 -0.08 1.96 2.12 -1.26 -2.13 118.70 123.78 3h5j s GLU 134 Ca 0.76 0.92 0.03 0.00 0.36 0.00 0.00 54.97 57.04 3h5j s GLU 134 Cb -0.75 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 3h5j s GLU 134 CO 0.45 0.29 -0.16 0.42 -0.54 0.00 0.00 175.26 175.73 3h5j s ILE 135 N -1.68 2.88 -0.11 -3.70 1.01 0.08 -4.41 121.20 115.26 3h5j s ILE 135 Ca 0.48 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 3h5j s ILE 135 Cb -0.15 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3h5j s ILE 135 CO 0.20 0.56 -0.07 -0.89 0.00 0.00 0.00 174.94 174.74 3h5j s THR 136 N -0.26 3.60 -0.22 2.92 2.01 -0.18 -1.77 115.64 121.74 3h5j s THR 136 Ca 0.01 -0.49 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 3h5j s THR 136 Cb -0.13 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.89 3h5j s THR 136 CO 0.03 0.54 -0.12 0.00 -0.69 0.00 0.00 174.62 174.38 3h5j s ALA 137 N -0.11 2.56 -0.38 7.40 0.00 0.10 -0.92 121.76 130.42 3h5j s ALA 137 Ca 0.01 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.48 3h5j s ALA 137 Cb -0.13 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.53 3h5j s ALA 137 CO 0.03 -0.64 0.21 1.21 0.00 0.00 0.00 175.76 176.56 3h5j s ASN 138 N 1.30 5.72 0.19 0.00 3.84 0.15 -1.54 114.94 124.60 3h5j s ASN 138 Ca 0.01 -1.03 0.04 0.00 0.21 0.00 0.00 52.86 52.10 3h5j s ASN 138 Cb -0.15 -2.02 0.07 0.00 -0.55 0.00 0.00 41.25 38.60 3h5j s ASN 138 CO -0.08 -0.39 1.43 0.25 -2.79 0.00 0.00 177.10 175.53 3h5j h LEU 139 N 8.43 0.20 -0.82 3.21 5.85 -1.21 0.51 115.31 131.49 3h5j h LEU 139 Ca -0.25 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3h5j h LEU 139 Cb 1.10 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 3h5j h LEU 139 CO 0.67 0.92 0.53 -0.61 -0.34 0.00 0.00 178.44 179.61 3h5j h GLN 140 N 0.10 1.03 -0.01 1.25 4.15 -1.92 -3.02 115.11 116.69 3h5j h GLN 140 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3h5j h GLN 140 Cb 1.40 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3h5j h GLN 140 CO 0.12 0.68 -0.72 -0.25 -1.93 0.00 0.00 178.83 176.72 3h5j n ASP 141 N -4.55 1.53 -3.73 -0.69 8.00 -1.21 -5.00 116.55 110.91 3h5j n ASP 141 Ca 0.09 -1.26 -0.24 0.00 0.71 0.00 0.00 54.79 54.09 3h5j n ASP 141 Cb 0.06 0.72 0.02 0.00 -0.02 0.00 0.00 41.12 41.90 3h5j n ASP 141 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h5j n ARG 142 N -0.73 -3.67 -4.09 -1.24 1.74 0.14 -4.96 116.66 103.85 3h5j n ARG 142 Ca 0.07 0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 57.56 3h5j n ARG 142 Cb 0.40 -4.86 -0.11 0.00 -1.02 0.00 0.00 32.46 26.87 3h5j n ARG 142 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3h5j s ILE 143 N -3.69 0.68 -0.13 0.55 -4.36 -1.01 -1.79 121.20 111.44 3h5j s ILE 143 Ca 0.12 -1.15 -0.02 0.00 -0.26 0.00 0.00 60.65 59.33 3h5j s ILE 143 Cb -0.04 -0.74 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 3h5j s ILE 143 CO 0.84 -0.36 -0.06 -0.63 0.24 0.00 0.00 174.94 174.97 3h5j s ILE 144 N -1.40 3.72 -0.06 8.37 -1.09 0.35 -0.68 121.20 130.42 3h5j s ILE 144 Ca -0.08 -0.43 0.06 0.00 -2.23 0.00 0.00 60.65 57.97 3h5j s ILE 144 Cb -0.10 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.17 3h5j s ILE 144 CO 0.01 0.52 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.12 3h5j s THR 145 N 0.13 2.23 -0.17 2.92 2.01 -0.10 -0.86 115.64 121.81 3h5j s THR 145 Ca -0.02 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 3h5j s THR 145 Cb -0.14 -1.82 0.07 0.00 0.01 0.00 0.00 72.50 70.62 3h5j s THR 145 CO 0.03 0.57 0.18 0.00 -0.69 0.00 0.00 174.62 174.71 3h5j s ALA 146 N -0.22 -0.09 0.00 7.40 0.00 -0.13 -1.01 121.76 127.71 3h5j s ALA 146 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3h5j s ALA 146 Cb -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.86 3h5j s ALA 146 CO 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 175.76 174.76 3h5j n ALA 147 N 5.31 0.00 0.47 0.00 0.00 -1.26 -1.16 120.51 123.87 3h5j n ALA 147 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3h5j n ALA 147 Cb 0.49 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.21 3h5j n ALA 147 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h5j n THR 148 N 0.00 0.53 -3.21 0.00 -2.24 -1.26 -4.85 114.28 103.25 3h5j n THR 148 Ca 0.00 -0.66 -0.39 0.00 -2.27 0.00 0.00 64.05 60.73 3h5j n THR 148 Cb 0.00 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 3h5j n THR 148 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5j s VAL 149 N -1.47 5.12 -0.08 2.28 1.01 -0.31 -5.06 120.40 121.89 3h5j s VAL 149 Ca 0.37 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.50 3h5j s VAL 149 Cb 0.21 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.69 3h5j s VAL 149 CO 0.29 0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 3h5j s VAL 150 N 0.97 1.62 0.00 2.92 1.01 -1.26 -0.95 120.40 124.71 3h5j s VAL 150 Ca 0.29 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3h5j s VAL 150 Cb -0.16 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3h5j s VAL 150 CO 0.12 0.46 0.11 -1.48 0.00 0.00 0.00 175.10 174.32 3h5j s LEU 151 N 0.46 1.65 0.49 3.92 0.05 -0.04 -4.99 118.68 120.22 3h5j s LEU 151 Ca -0.16 -0.22 -0.18 0.00 0.05 0.00 0.00 54.13 53.62 3h5j s LEU 151 Cb -0.17 0.58 -0.09 0.00 -2.05 0.00 0.00 46.19 44.46 3h5j s LEU 151 CO 0.06 -0.34 0.98 -2.16 -0.55 0.00 0.00 176.35 174.34 3h5j s PRO 152 N -1.30 4.01 0.19 1.48 0.04 -1.26 -0.49 135.00 137.66 3h5j s PRO 152 Ca -0.14 1.02 0.05 0.00 0.04 0.00 0.00 61.00 61.98 3h5j s PRO 152 Cb -0.08 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3h5j s PRO 152 CO 0.01 -0.22 -0.09 -0.59 0.04 0.00 0.00 177.00 176.16 3h5j s PHE 153 N -2.47 1.47 0.02 0.56 -0.12 -0.74 -4.66 117.98 112.05 3h5j s PHE 153 Ca 0.60 -0.75 0.06 0.00 -0.05 0.00 0.00 56.93 56.79 3h5j s PHE 153 Cb -0.10 -0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 41.50 3h5j s PHE 153 CO 0.26 0.13 -0.14 0.15 -0.05 0.00 0.00 175.22 175.57 3h5j s LYS 154 N -3.75 2.27 -0.04 1.99 1.02 0.07 -4.76 119.74 116.54 3h5j s LYS 154 Ca 0.21 -0.87 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 3h5j s LYS 154 Cb 0.03 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 3h5j s LYS 154 CO 0.04 0.57 0.34 -1.50 -0.92 0.00 0.00 175.35 173.88 3h5j s ILE 155 N -0.94 0.04 0.62 2.17 2.07 -1.26 -2.06 121.20 121.84 3h5j s ILE 155 Ca 0.15 -0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 58.89 3h5j s ILE 155 Cb -0.11 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 3h5j s ILE 155 CO 0.06 -0.19 1.07 1.51 -1.91 0.00 0.00 174.94 175.48 3h5j s ASP 156 N -1.02 5.56 0.31 4.50 -4.77 -1.26 -4.89 116.67 115.10 3h5j s ASP 156 Ca -0.11 1.86 0.08 0.00 -3.30 0.00 0.00 52.55 51.08 3h5j s ASP 156 Cb -0.04 -2.54 0.50 0.00 -1.09 0.00 0.00 42.92 39.75 3h5j s ASP 156 CO 0.04 -1.32 1.72 0.44 0.70 0.00 0.00 175.17 176.75 3h5j h ASP 157 N 0.25 0.17 -0.23 2.11 3.32 -2.01 -1.14 116.42 118.89 3h5j h ASP 157 Ca -0.47 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 3h5j h ASP 157 Cb 1.23 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3h5j h ASP 157 CO 0.56 0.58 0.06 0.45 -1.72 0.00 0.00 179.24 179.17 3h5j h HIS 158 N 0.14 0.37 -0.75 4.55 3.86 -1.99 -0.63 115.15 120.69 3h5j h HIS 158 Ca 0.01 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3h5j h HIS 158 Cb 0.81 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.12 3h5j h HIS 158 CO 0.01 0.45 0.46 0.77 0.86 0.00 0.00 177.93 180.48 3h5j h SER 159 N 0.19 0.74 -0.48 2.45 0.02 -1.88 -1.12 113.55 113.48 3h5j h SER 159 Ca 0.07 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3h5j h SER 159 Cb 0.26 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3h5j h SER 159 CO -0.00 0.50 0.31 0.00 -1.14 0.00 0.00 176.83 176.50 3h5j h ALA 160 N 1.34 0.61 -0.07 3.77 0.00 -0.93 -0.80 119.26 123.19 3h5j h ALA 160 Ca 0.31 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3h5j h ALA 160 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h5j h ALA 160 CO -0.14 0.04 -0.12 2.35 0.00 0.00 0.00 179.25 181.38 3h5j h TRP 161 N 0.64 -0.31 -0.78 0.00 7.01 -0.75 0.10 115.95 121.86 3h5j h TRP 161 Ca 0.18 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.23 3h5j h TRP 161 Cb -0.06 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.10 3h5j h TRP 161 CO -0.05 -0.18 0.49 0.00 -2.79 0.00 0.00 178.44 175.91 3h5j h ARG 162 N -0.18 0.92 -0.07 2.65 3.08 -0.88 -0.90 114.38 119.01 3h5j h ARG 162 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3h5j h ARG 162 Cb 0.27 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3h5j h ARG 162 CO -0.17 0.61 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.25 3h5j h LEU 163 N 0.95 0.13 -1.32 3.04 3.38 -0.87 -1.45 115.31 119.17 3h5j h LEU 163 Ca 0.32 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3h5j h LEU 163 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3h5j h LEU 163 CO -0.12 0.47 0.16 -0.07 0.09 0.00 0.00 178.44 178.97 3h5j h LEU 164 N -0.21 0.56 -0.15 1.67 3.38 -0.62 0.73 115.31 120.68 3h5j h LEU 164 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h5j h LEU 164 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3h5j h LEU 164 CO 0.01 0.53 -0.26 -0.62 0.09 0.00 0.00 178.44 178.19 3h5j n GLU 165 N -4.36 0.34 -2.82 1.13 -0.58 -0.36 -4.33 120.64 109.67 3h5j n GLU 165 Ca 0.03 -0.15 -0.13 0.00 -0.42 0.00 0.00 57.16 56.49 3h5j n GLU 165 Cb 0.16 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.56 3h5j n GLU 165 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h5j n GLY 166 N 1.41 0.04 3.80 0.62 0.00 -0.79 -4.79 105.19 105.48 3h5j n GLY 166 Ca 0.09 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3h5j n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h5j s LEU 167 N -4.14 3.87 0.00 0.99 1.43 -0.62 -4.61 118.68 115.60 3h5j s LEU 167 Ca 0.22 1.94 0.27 0.00 -1.03 0.00 0.00 54.13 55.53 3h5j s LEU 167 Cb -0.10 -4.53 1.63 0.00 0.03 0.00 0.00 46.19 43.22 3h5j s LEU 167 CO 0.27 -0.76 1.98 0.47 0.23 0.00 0.00 176.35 178.54