#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5h n PHE 4 N 0.00 0.00 0.01 0.00 -0.00 -1.26 -4.67 117.46 111.54 3h5h n PHE 4 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.54 3h5h n PHE 4 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.48 39.33 3h5h n PHE 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3h5h n HIS 5 N 0.00 0.00 -4.36 -5.13 -0.00 -1.26 -4.44 115.22 100.03 3h5h n HIS 5 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 3h5h n HIS 5 Cb 0.00 -0.42 -0.14 0.00 -0.00 0.00 0.00 29.99 29.42 3h5h n HIS 5 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3h5h s THR 6 N -3.30 0.74 -0.02 1.59 2.01 -1.26 0.23 115.64 115.62 3h5h s THR 6 Ca -0.07 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.50 3h5h s THR 6 Cb 0.12 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 3h5h s THR 6 CO 0.78 0.16 -0.10 -2.28 -0.69 0.00 0.00 174.62 172.49 3h5h s HIS 7 N -0.31 1.03 -0.01 4.92 5.04 -0.79 -4.99 115.29 120.17 3h5h s HIS 7 Ca 0.03 -0.25 0.07 0.00 -1.54 0.00 0.00 55.06 53.37 3h5h s HIS 7 Cb -0.04 -0.71 -0.02 0.00 0.04 0.00 0.00 32.58 31.85 3h5h s HIS 7 CO -0.00 -0.08 -0.21 -1.12 -2.34 0.00 0.00 174.74 170.98 3h5h s SER 8 N 0.06 2.48 0.01 9.88 0.01 -1.26 -0.92 113.70 123.96 3h5h s SER 8 Ca -0.01 -0.39 -0.28 0.00 1.31 0.00 0.00 55.95 56.58 3h5h s SER 8 Cb -0.08 -0.27 0.10 0.00 0.21 0.00 0.00 66.02 65.98 3h5h s SER 8 CO 0.00 0.26 0.94 -0.83 0.41 0.00 0.00 173.24 174.03 3h5h s GLY 9 N -0.51 -0.40 0.17 3.44 0.00 -1.04 -4.98 107.32 104.00 3h5h s GLY 9 Ca 0.08 0.85 -0.32 0.00 0.00 0.00 0.00 44.72 45.34 3h5h s GLY 9 CO -0.01 0.27 1.70 -0.42 0.00 0.00 0.00 173.10 174.64 3h5h s ILE 10 N -3.08 2.36 0.10 0.90 1.01 -1.26 -1.24 121.20 120.00 3h5h s ILE 10 Ca 0.07 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.62 3h5h s ILE 10 Cb -0.01 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 3h5h s ILE 10 CO -0.06 0.01 0.88 -0.83 0.00 0.00 0.00 174.94 174.94 3h5h s GLY 11 N 1.57 2.93 -0.25 6.18 0.00 -0.98 -1.77 107.32 115.01 3h5h s GLY 11 Ca 0.75 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.90 3h5h s GLY 11 CO 0.33 1.27 -0.04 0.14 0.00 0.00 0.00 173.10 174.80 3h5h s VAL 12 N -0.17 3.14 -0.09 1.40 1.01 0.17 -4.76 120.40 121.09 3h5h s VAL 12 Ca 0.43 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 3h5h s VAL 12 Cb -0.22 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3h5h s VAL 12 CO 0.27 0.25 0.90 -2.16 0.00 0.00 0.00 175.10 174.36 3h5h s PRO 13 N 1.39 4.42 -0.38 2.72 0.04 -1.26 -1.03 135.00 140.90 3h5h s PRO 13 Ca 0.02 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3h5h s PRO 13 Cb -0.16 -3.52 0.12 0.00 0.04 0.00 0.00 34.50 30.99 3h5h s PRO 13 CO -0.03 -0.20 0.19 -1.17 0.04 0.00 0.00 177.00 175.83 3h5h s LEU 14 N 1.62 2.11 -1.48 -3.56 2.96 0.55 -4.94 118.68 115.95 3h5h s LEU 14 Ca 0.45 -2.18 -0.13 0.00 -0.22 0.00 0.00 54.13 52.05 3h5h s LEU 14 Cb -0.18 -0.82 0.03 0.00 0.50 0.00 0.00 46.19 45.71 3h5h s LEU 14 CO 0.19 -0.33 2.35 0.54 -1.32 0.00 0.00 176.35 177.78 3h5h n ARG 15 N 4.11 3.09 -4.17 1.98 1.74 -1.26 -2.74 116.66 119.42 3h5h n ARG 15 Ca 0.05 -2.60 -0.22 0.00 -0.77 0.00 0.00 57.85 54.31 3h5h n ARG 15 Cb 0.38 -3.16 -0.17 0.00 -1.02 0.00 0.00 32.46 28.49 3h5h n ARG 15 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h5h s ARG 16 N 2.74 1.06 0.36 5.56 1.81 -1.26 -4.92 118.95 124.31 3h5h s ARG 16 Ca 0.51 -0.16 -0.01 0.00 -1.72 0.00 0.00 55.73 54.35 3h5h s ARG 16 Cb 0.15 -1.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 3h5h s ARG 16 CO -0.08 -0.11 0.59 -1.12 -0.68 0.00 0.00 175.30 173.91 3h5h s SER 17 N 1.09 6.30 -1.52 0.23 0.01 -1.26 -2.23 113.70 116.32 3h5h s SER 17 Ca -0.08 0.56 -0.08 0.00 1.31 0.00 0.00 55.95 57.66 3h5h s SER 17 Cb -0.14 -2.08 0.06 0.00 0.21 0.00 0.00 66.02 64.07 3h5h s SER 17 CO -0.01 -0.34 0.63 0.59 0.41 0.00 0.00 173.24 174.53 3h5h n ASN 18 N -1.78 -1.97 -4.64 2.44 3.02 -0.30 -4.84 115.26 107.18 3h5h n ASN 18 Ca -0.03 -0.97 -0.43 0.00 -0.03 0.00 0.00 54.58 53.12 3h5h n ASN 18 Cb 0.56 -3.13 -0.02 0.00 -0.61 0.00 0.00 39.78 36.57 3h5h n ASN 18 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h5h s VAL 19 N -3.63 3.84 0.34 2.41 1.01 -1.18 -4.84 120.40 118.34 3h5h s VAL 19 Ca 0.34 0.98 0.07 0.00 0.00 0.00 0.00 61.98 63.37 3h5h s VAL 19 Cb -0.18 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3h5h s VAL 19 CO 0.89 -0.21 0.37 1.51 0.00 0.00 0.00 175.10 177.65 3h5h s ASP 20 N 3.36 5.56 0.28 3.32 -4.77 -1.26 -0.44 116.67 122.73 3h5h s ASP 20 Ca 0.67 -0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.54 3h5h s ASP 20 Cb -0.26 -1.07 0.67 0.00 -1.09 0.00 0.00 42.92 41.17 3h5h s ASP 20 CO 0.25 -0.39 1.63 0.74 0.70 0.00 0.00 175.17 178.10 3h5h h THR 21 N 1.10 0.26 -0.13 2.11 2.02 -1.79 0.95 112.91 117.43 3h5h h THR 21 Ca -0.45 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 3h5h h THR 21 Cb 1.25 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3h5h h THR 21 CO 0.56 0.03 -0.03 0.44 0.37 0.00 0.00 175.52 176.89 3h5h h ASP 22 N 0.14 0.17 0.05 4.18 3.32 -1.90 0.56 116.42 122.94 3h5h h ASP 22 Ca 0.53 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 57.29 3h5h h ASP 22 Cb 1.06 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.59 3h5h h ASP 22 CO -0.71 0.23 -1.11 1.56 -1.72 0.00 0.00 179.24 177.50 3h5h h GLN 23 N 0.19 0.68 -0.40 3.56 4.20 -1.22 -2.78 115.11 119.33 3h5h h GLN 23 Ca 0.04 -0.78 -0.04 0.00 0.06 0.00 0.00 58.65 57.93 3h5h h GLN 23 Cb 0.18 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3h5h h GLN 23 CO 0.01 1.34 0.09 0.82 -0.67 0.00 0.00 178.83 180.42 3h5h h ILE 24 N 0.36 1.23 -1.53 2.54 2.04 -0.95 -3.29 117.51 117.90 3h5h h ILE 24 Ca -0.15 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 64.79 3h5h h ILE 24 Cb 1.77 0.99 -0.27 0.00 -0.74 0.00 0.00 36.82 38.57 3h5h h ILE 24 CO 0.22 0.27 -0.50 -0.51 0.00 0.00 0.00 178.15 177.63 3h5h s ILE 25 N -5.29 -0.72 0.35 -0.67 1.10 0.15 -0.90 121.20 115.22 3h5h s ILE 25 Ca -0.13 -0.22 -0.28 0.00 -0.51 0.00 0.00 60.65 59.51 3h5h s ILE 25 Cb 0.10 -0.99 -0.12 0.00 0.15 0.00 0.00 42.46 41.60 3h5h s ILE 25 CO 0.77 -0.21 1.43 -2.65 -2.11 0.00 0.00 174.94 172.17 3h5h n PRO 26 N 5.37 2.47 -0.20 3.50 -0.02 -1.05 -4.43 135.00 140.64 3h5h n PRO 26 Ca 0.02 0.87 0.18 0.00 -2.02 0.00 0.00 63.50 62.55 3h5h n PRO 26 Cb 0.50 -2.55 0.53 0.00 -0.02 0.00 0.00 33.50 31.96 3h5h n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5h h ALA 27 N 3.08 2.22 -0.49 3.55 0.00 -1.92 -0.77 119.26 124.92 3h5h h ALA 27 Ca -0.48 0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.58 3h5h h ALA 27 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3h5h h ALA 27 CO 0.66 -0.47 0.43 -0.39 0.00 0.00 0.00 179.25 179.49 3h5h h VAL 28 N 0.37 0.51 0.00 0.00 -1.51 -1.99 0.14 116.25 113.78 3h5h h VAL 28 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 3h5h h VAL 28 Cb 1.08 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3h5h h VAL 28 CO -0.14 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.69 3h5h n PHE 29 N -3.99 0.00 -4.10 5.19 3.72 -0.30 -4.92 117.46 113.07 3h5h n PHE 29 Ca 0.09 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.24 3h5h n PHE 29 Cb 0.64 -0.34 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 3h5h n PHE 29 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3h5h s LEU 30 N -2.68 3.76 0.00 4.37 1.43 0.50 -5.01 118.68 121.05 3h5h s LEU 30 Ca 0.23 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3h5h s LEU 30 Cb 0.18 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3h5h s LEU 30 CO 0.44 0.05 0.00 1.17 0.23 0.00 0.00 176.35 178.24 3h5h n LYS 31 N -0.46 1.98 0.00 1.70 4.81 -1.26 -5.06 118.16 119.87 3h5h n LYS 31 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3h5h n LYS 31 Cb 0.55 -0.51 0.00 0.00 0.02 0.00 0.00 35.03 35.09 3h5h n LYS 31 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3h5h n ARG 32 N -0.37 0.00 0.00 1.64 1.74 -1.26 -4.77 116.66 113.64 3h5h n ARG 32 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 3h5h n ARG 32 Cb 0.01 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.46 3h5h n ARG 32 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3h5h n VAL 33 N 0.00 0.00 -2.70 1.55 0.24 -1.26 -5.01 118.33 111.15 3h5h n VAL 33 Ca 0.00 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.34 61.54 3h5h n VAL 33 Cb 0.00 1.19 -0.06 0.00 -1.47 0.00 0.00 33.84 33.50 3h5h n VAL 33 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3h5h s THR 34 N -1.59 4.04 0.00 3.34 -4.23 -1.26 -4.94 115.64 111.00 3h5h s THR 34 Ca 0.12 1.71 0.00 0.00 -1.18 0.00 0.00 61.69 62.34 3h5h s THR 34 Cb 0.11 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 70.00 3h5h s THR 34 CO 0.31 0.15 0.11 -2.11 -0.54 0.00 0.00 174.62 172.54 3h5h n ARG 35 N 0.53 0.00 -4.34 3.99 1.85 -1.26 -4.93 116.66 112.50 3h5h n ARG 35 Ca 0.02 -0.11 -0.17 0.00 -1.00 0.00 0.00 57.85 56.59 3h5h n ARG 35 Cb 0.49 -0.48 -0.10 0.00 -1.05 0.00 0.00 32.46 31.32 3h5h n ARG 35 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3h5h s THR 36 N 0.00 1.17 -1.16 8.89 2.01 -1.26 -4.91 115.64 120.38 3h5h s THR 36 Ca 0.00 -2.06 -0.05 0.00 0.31 0.00 0.00 61.69 59.89 3h5h s THR 36 Cb 0.00 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.22 3h5h s THR 36 CO 0.00 -0.38 1.00 0.61 -0.69 0.00 0.00 174.62 175.16 3h5h n GLY 37 N -0.42 -0.35 0.41 4.40 0.00 -1.26 -4.90 105.19 103.08 3h5h n GLY 37 Ca -0.06 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3h5h n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h5h n PHE 38 N -4.41 0.07 0.07 1.61 3.01 -1.26 -4.28 117.46 112.27 3h5h n PHE 38 Ca -0.08 -0.04 0.04 0.00 1.01 0.00 0.00 57.45 58.38 3h5h n PHE 38 Cb 0.59 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.51 3h5h n PHE 38 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3h5h h GLU 39 N 1.85 0.38 0.00 -1.08 9.09 -1.84 -2.14 114.58 120.85 3h5h h GLU 39 Ca 0.00 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 59.33 3h5h h GLU 39 Cb 0.40 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.42 3h5h h GLU 39 CO 0.00 0.31 -0.19 -0.44 0.05 0.00 0.00 179.01 178.74 3h5h h ASP 40 N 0.38 0.00 0.51 3.06 3.32 -1.94 -3.11 116.42 118.64 3h5h h ASP 40 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3h5h h ASP 40 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3h5h h ASP 40 CO -0.01 0.19 -0.53 0.61 -1.72 0.00 0.00 179.24 177.77 3h5h n GLY 41 N 0.59 -1.26 3.67 2.75 0.00 -0.82 -4.51 105.19 105.61 3h5h n GLY 41 Ca 0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3h5h n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5h s LEU 42 N -3.11 4.38 -1.33 0.99 2.96 -1.12 -2.31 118.68 119.14 3h5h s LEU 42 Ca 0.10 2.54 -0.11 0.00 -0.22 0.00 0.00 54.13 56.45 3h5h s LEU 42 Cb 0.17 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.40 3h5h s LEU 42 CO 0.71 -0.97 0.53 0.49 -1.32 0.00 0.00 176.35 175.79 3h5h n PHE 43 N 6.58 -1.78 0.10 5.38 3.72 -0.08 -4.81 117.46 126.58 3h5h n PHE 43 Ca 0.18 0.52 0.06 0.00 -0.05 0.00 0.00 57.45 58.16 3h5h n PHE 43 Cb 0.41 -2.86 0.51 0.00 -0.94 0.00 0.00 39.48 36.60 3h5h n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h5h h ALA 44 N 0.96 1.83 -0.08 4.37 0.00 -1.68 0.74 119.26 125.40 3h5h h ALA 44 Ca -0.45 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3h5h h ALA 44 Cb 1.30 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.99 3h5h h ALA 44 CO 0.57 0.15 -0.40 0.78 0.00 0.00 0.00 179.25 180.35 3h5h h GLY 45 N 0.33 0.45 2.00 0.00 0.00 -1.87 -3.29 103.07 100.69 3h5h h GLY 45 Ca 0.10 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 3h5h h GLY 45 CO -0.02 0.57 -0.57 1.49 0.00 0.00 0.00 176.54 178.01 3h5h h TRP 46 N -0.06 0.00 0.00 5.60 6.55 -1.76 -2.74 115.95 123.54 3h5h h TRP 46 Ca -0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.81 3h5h h TRP 46 Cb 1.06 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.36 3h5h h TRP 46 CO 0.13 0.57 0.00 0.54 -1.05 0.00 0.00 178.44 178.62 3h5h n ARG 47 N -3.78 0.76 0.14 0.49 1.74 0.20 -2.74 116.66 113.46 3h5h n ARG 47 Ca -0.01 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3h5h n ARG 47 Cb 0.59 -1.31 0.15 0.00 -1.02 0.00 0.00 32.46 30.87 3h5h n ARG 47 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3h5h h SER 48 N 0.00 0.00 -3.37 0.55 0.02 -1.56 -3.43 113.55 105.76 3h5h h SER 48 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3h5h h SER 48 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 3h5h h SER 48 CO 0.00 0.61 0.21 -0.62 -1.14 0.00 0.00 176.83 175.89 3h5h s ASP 49 N -6.66 6.82 0.00 3.07 -1.08 -1.11 -4.93 116.67 112.78 3h5h s ASP 49 Ca 0.00 1.00 0.11 0.00 -0.52 0.00 0.00 52.55 53.14 3h5h s ASP 49 Cb 0.11 -2.39 0.49 0.00 -1.46 0.00 0.00 42.92 39.67 3h5h s ASP 49 CO 0.75 -0.30 1.29 -2.65 0.52 0.00 0.00 175.17 174.78 3h5h n PRO 50 N 4.96 0.07 -0.17 4.34 -0.02 -1.26 -1.11 135.00 141.80 3h5h n PRO 50 Ca 0.01 0.26 0.10 0.00 -2.02 0.00 0.00 63.50 61.84 3h5h n PRO 50 Cb 0.50 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.66 3h5h n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5h n ALA 51 N -1.40 2.38 -1.82 3.55 0.00 -1.26 -4.65 120.51 117.30 3h5h n ALA 51 Ca 0.04 -0.99 -0.41 0.00 0.00 0.00 0.00 53.44 52.08 3h5h n ALA 51 Cb 0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 3h5h n ALA 51 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h5h s PHE 52 N -1.27 2.93 0.57 0.00 5.36 -0.27 -4.88 117.98 120.43 3h5h s PHE 52 Ca 0.32 1.13 0.28 0.00 -0.96 0.00 0.00 56.93 57.70 3h5h s PHE 52 Cb 0.19 -3.84 1.52 0.00 -0.34 0.00 0.00 43.02 40.55 3h5h s PHE 52 CO 0.26 -2.59 2.00 -0.24 -1.46 0.00 0.00 175.22 173.18 3h5h h VAL 53 N 3.30 0.50 0.00 3.12 3.04 -1.91 0.86 116.25 125.17 3h5h h VAL 53 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3h5h h VAL 53 Cb 1.22 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3h5h h VAL 53 CO 0.72 0.00 0.00 -0.11 -1.01 0.00 0.00 177.57 177.17 3h5h n LEU 54 N -3.93 0.73 -0.07 3.16 7.94 -1.26 -2.32 117.00 121.26 3h5h n LEU 54 Ca 0.06 0.57 0.12 0.00 -1.11 0.00 0.00 56.01 55.66 3h5h n LEU 54 Cb 0.53 -0.34 0.30 0.00 0.53 0.00 0.00 43.42 44.44 3h5h n LEU 54 CO 0.30 -0.18 0.53 0.59 -1.11 0.00 0.00 177.39 177.53 3h5h n ASN 55 N -2.19 0.62 -4.82 1.96 3.02 0.29 -3.89 115.26 110.25 3h5h n ASN 55 Ca 0.06 -0.40 -0.37 0.00 -0.03 0.00 0.00 54.58 53.83 3h5h n ASN 55 Cb 0.42 0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 3h5h n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h5h s LEU 56 N -2.86 4.39 0.21 3.41 1.43 -0.98 -4.84 118.68 119.43 3h5h s LEU 56 Ca 0.15 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 3h5h s LEU 56 Cb 0.18 -2.39 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 3h5h s LEU 56 CO 0.64 0.28 1.03 -0.94 0.23 0.00 0.00 176.35 177.60 3h5h s SER 57 N -0.62 7.42 -0.04 2.29 1.04 -1.26 -0.09 113.70 122.43 3h5h s SER 57 Ca 0.19 2.04 0.17 0.00 0.48 0.00 0.00 55.95 58.83 3h5h s SER 57 Cb -0.14 -2.61 0.57 0.00 0.10 0.00 0.00 66.02 63.94 3h5h s SER 57 CO 0.08 -0.07 1.46 -0.81 0.98 0.00 0.00 173.24 174.89 3h5h n PRO 58 N 1.94 2.80 0.29 4.02 -0.04 -1.26 -4.91 135.00 137.84 3h5h n PRO 58 Ca 0.00 -2.28 0.15 0.00 -0.04 0.00 0.00 63.50 61.34 3h5h n PRO 58 Cb 0.47 -1.61 0.88 0.00 -0.04 0.00 0.00 33.50 33.19 3h5h n PRO 58 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3h5h h PHE 59 N 3.50 0.00 0.00 0.54 0.04 -0.75 -1.87 116.94 118.40 3h5h h PHE 59 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h5h h PHE 59 Cb 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 3h5h h PHE 59 CO 0.51 0.05 0.00 -0.40 -0.60 0.00 0.00 178.31 177.87 3h5h n ASP 60 N -3.62 0.53 -0.68 2.17 5.75 0.19 -1.80 116.55 119.09 3h5h n ASP 60 Ca -0.02 0.66 0.07 0.00 -0.01 0.00 0.00 54.79 55.49 3h5h n ASP 60 Cb 0.15 -0.77 0.19 0.00 -1.03 0.00 0.00 41.12 39.67 3h5h n ASP 60 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h5h n ARG 61 N -2.13 2.81 -2.23 0.11 1.74 -0.70 -5.04 116.66 111.22 3h5h n ARG 61 Ca 0.01 -2.42 -0.32 0.00 -0.77 0.00 0.00 57.85 54.35 3h5h n ARG 61 Cb 0.16 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3h5h n ARG 61 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h5h s GLY 62 N -1.56 2.10 -0.00 -0.13 0.00 -0.75 -4.65 107.32 102.33 3h5h s GLY 62 Ca 0.31 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.32 3h5h s GLY 62 CO 0.11 0.58 0.69 -1.14 0.00 0.00 0.00 173.10 173.34 3h5h n SER 63 N -1.79 0.68 -3.85 1.64 3.41 -0.73 -4.55 113.62 108.43 3h5h n SER 63 Ca 0.08 -1.39 -0.27 0.00 -0.26 0.00 0.00 58.87 57.02 3h5h n SER 63 Cb 0.53 -0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 64.30 3h5h n SER 63 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h5h s VAL 64 N -0.37 0.88 -0.25 -3.33 1.01 -0.90 -1.19 120.40 116.25 3h5h s VAL 64 Ca 0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3h5h s VAL 64 Cb 0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3h5h s VAL 64 CO 0.00 0.16 0.07 -0.22 0.00 0.00 0.00 175.10 175.11 3h5h s LEU 65 N 1.74 3.44 -0.41 3.92 2.96 0.27 0.42 118.68 131.02 3h5h s LEU 65 Ca 0.02 -0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.61 3h5h s LEU 65 Cb -0.14 -1.92 0.05 0.00 0.50 0.00 0.00 46.19 44.67 3h5h s LEU 65 CO -0.07 -0.03 0.28 -0.69 -1.32 0.00 0.00 176.35 174.52 3h5h s VAL 66 N 1.57 4.80 0.32 1.68 1.01 -0.20 0.22 120.40 129.80 3h5h s VAL 66 Ca 0.06 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.16 3h5h s VAL 66 Cb -0.15 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3h5h s VAL 66 CO 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 175.10 174.71 3h5h s ALA 67 N 1.57 3.09 1.13 5.51 0.00 -0.10 -0.33 121.76 132.63 3h5h s ALA 67 Ca 0.03 -1.92 -0.15 0.00 0.00 0.00 0.00 51.96 49.92 3h5h s ALA 67 Cb -0.21 -0.37 0.25 0.00 0.00 0.00 0.00 23.12 22.79 3h5h s ALA 67 CO 0.06 0.13 1.08 0.20 0.00 0.00 0.00 175.76 177.24 3h5h s GLY 68 N -3.66 1.55 0.58 0.00 0.00 -0.95 -4.46 107.32 100.39 3h5h s GLY 68 Ca 0.33 -0.57 -0.20 0.00 0.00 0.00 0.00 44.72 44.27 3h5h s GLY 68 CO 0.18 0.18 1.30 -1.55 0.00 0.00 0.00 173.10 173.22 3h5h n PRO 69 N -4.60 1.45 -3.23 2.90 -0.04 -1.26 -3.72 135.00 126.51 3h5h n PRO 69 Ca 0.08 0.54 -0.15 0.00 -0.04 0.00 0.00 63.50 63.93 3h5h n PRO 69 Cb 0.58 -2.52 0.08 0.00 -0.04 0.00 0.00 33.50 31.59 3h5h n PRO 69 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3h5h n ASP 70 N -1.23 -2.32 -4.76 3.54 8.00 0.26 -1.15 116.55 118.90 3h5h n ASP 70 Ca 0.12 -0.52 -0.40 0.00 0.71 0.00 0.00 54.79 54.71 3h5h n ASP 70 Cb 0.46 -4.40 -0.05 0.00 -0.02 0.00 0.00 41.12 37.11 3h5h n ASP 70 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3h5h s PHE 71 N -3.30 3.61 -0.22 1.24 5.36 -0.90 -3.11 117.98 120.66 3h5h s PHE 71 Ca 0.04 1.73 -0.00 0.00 -0.96 0.00 0.00 56.93 57.74 3h5h s PHE 71 Cb -0.02 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 3h5h s PHE 71 CO 0.62 -0.38 0.00 0.41 -1.46 0.00 0.00 175.22 174.41 3h5h n GLY 72 N 1.11 0.28 3.94 13.12 0.00 0.42 -0.47 105.19 123.61 3h5h n GLY 72 Ca -0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 3h5h n GLY 72 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h5h s THR 73 N -2.16 2.26 0.00 2.61 -1.32 -0.83 -3.92 115.64 112.28 3h5h s THR 73 Ca 0.00 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 3h5h s THR 73 Cb -0.00 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 3h5h s THR 73 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3h5h n GLY 74 N -2.95 -0.56 3.43 6.08 0.00 -1.26 -2.62 105.19 107.30 3h5h n GLY 74 Ca 0.10 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 3h5h n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h5h s SER 75 N -4.00 6.30 1.07 1.61 1.04 -1.26 -4.93 113.70 113.53 3h5h s SER 75 Ca 0.00 -1.43 -0.12 0.00 0.48 0.00 0.00 55.95 54.88 3h5h s SER 75 Cb 0.00 -2.37 0.23 0.00 0.10 0.00 0.00 66.02 63.98 3h5h s SER 75 CO 0.00 -1.23 1.07 -0.44 0.98 0.00 0.00 173.24 173.62 3h5h s SER 76 N 3.61 1.79 0.01 7.02 0.01 -1.26 -4.73 113.70 120.14 3h5h s SER 76 Ca 0.21 1.67 0.03 0.00 1.31 0.00 0.00 55.95 59.17 3h5h s SER 76 Cb -0.16 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3h5h s SER 76 CO 0.04 -3.72 -0.09 -0.13 0.41 0.00 0.00 173.24 169.74 3h5h s ARG 77 N -4.58 0.71 0.40 12.44 3.00 -1.26 -4.97 118.95 124.68 3h5h s ARG 77 Ca 0.67 -0.44 0.14 0.00 0.00 0.00 0.00 55.73 56.11 3h5h s ARG 77 Cb -0.23 -0.67 0.99 0.00 0.00 0.00 0.00 34.95 35.04 3h5h s ARG 77 CO 0.62 0.18 1.86 1.05 0.00 0.00 0.00 175.30 179.01 3h5h h GLU 78 N 5.59 0.49 -0.60 3.54 9.09 -1.96 -2.52 114.58 128.20 3h5h h GLU 78 Ca -0.32 -0.03 0.05 0.00 0.05 0.00 0.00 59.36 59.11 3h5h h GLU 78 Cb 1.18 -0.11 -0.05 0.00 -1.65 0.00 0.00 28.75 28.12 3h5h h GLU 78 CO 0.48 0.32 0.33 0.45 0.05 0.00 0.00 179.01 180.64 3h5h h HIS 79 N 0.50 0.60 -0.89 2.06 3.86 -1.98 0.11 115.15 119.41 3h5h h HIS 79 Ca 0.46 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.80 3h5h h HIS 79 Cb 0.99 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 29.20 3h5h h HIS 79 CO -0.00 0.30 0.53 0.00 0.86 0.00 0.00 177.93 179.61 3h5h h ALA 80 N 1.31 1.31 -0.32 2.45 0.00 -1.79 0.56 119.26 122.77 3h5h h ALA 80 Ca 0.26 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 3h5h h ALA 80 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h5h h ALA 80 CO -0.16 0.12 -0.43 0.28 0.00 0.00 0.00 179.25 179.06 3h5h h VAL 81 N 0.85 1.28 -0.55 0.00 2.07 -1.19 -2.87 116.25 115.83 3h5h h VAL 81 Ca 0.44 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 3h5h h VAL 81 Cb 0.44 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3h5h h VAL 81 CO -0.27 0.53 0.32 -0.50 0.02 0.00 0.00 177.57 177.67 3h5h h TRP 82 N 0.66 0.74 -0.06 1.57 6.55 0.47 -1.95 115.95 123.93 3h5h h TRP 82 Ca 0.04 -0.01 0.03 0.00 0.95 0.00 0.00 58.89 59.90 3h5h h TRP 82 Cb 1.01 -0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 29.04 3h5h h TRP 82 CO 0.06 0.53 -0.12 0.00 -1.05 0.00 0.00 178.44 177.86 3h5h h ALA 83 N 1.15 -0.08 -0.64 1.49 0.00 0.11 0.03 119.26 121.31 3h5h h ALA 83 Ca 0.20 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3h5h h ALA 83 Cb 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3h5h h ALA 83 CO -0.03 -0.59 0.39 -0.07 0.00 0.00 0.00 179.25 178.95 3h5h h LEU 84 N -0.17 0.63 -0.06 0.00 3.38 -1.40 -1.69 115.31 116.01 3h5h h LEU 84 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3h5h h LEU 84 Cb 0.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h5h h LEU 84 CO -0.16 0.44 0.01 0.24 0.09 0.00 0.00 178.44 179.06 3h5h h MET 85 N 0.76 0.09 -0.40 1.13 2.86 -0.97 -1.18 114.93 117.22 3h5h h MET 85 Ca 0.26 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 3h5h h MET 85 Cb 0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3h5h h MET 85 CO -0.11 0.29 0.17 -0.44 1.06 0.00 0.00 176.91 177.88 3h5h h ASP 86 N -0.13 0.50 0.51 1.22 3.32 -0.84 -0.59 116.42 120.41 3h5h h ASP 86 Ca 0.02 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3h5h h ASP 86 Cb 0.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3h5h h ASP 86 CO 0.00 0.45 -0.30 0.22 -1.72 0.00 0.00 179.24 177.88 3h5h h TYR 87 N 0.56 0.00 0.00 4.55 3.20 -1.12 -3.43 116.97 120.72 3h5h h TYR 87 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3h5h h TYR 87 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3h5h h TYR 87 CO 0.00 0.30 0.00 0.41 -1.64 0.00 0.00 178.16 177.24 3h5h n GLY 88 N -0.32 1.35 3.71 1.82 0.00 -0.23 -5.05 105.19 106.46 3h5h n GLY 88 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3h5h n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5h s PHE 89 N -2.00 3.59 -0.23 1.61 0.08 -0.49 -4.45 117.98 116.09 3h5h s PHE 89 Ca 0.00 1.49 0.07 0.00 0.12 0.00 0.00 56.93 58.61 3h5h s PHE 89 Cb 0.00 -3.01 -0.09 0.00 -0.57 0.00 0.00 43.02 39.35 3h5h s PHE 89 CO 0.00 -0.03 0.25 0.54 -0.10 0.00 0.00 175.22 175.89 3h5h n ARG 90 N 4.13 3.39 -3.78 0.44 5.12 -0.34 -4.07 116.66 121.55 3h5h n ARG 90 Ca 0.04 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.79 3h5h n ARG 90 Cb 0.51 -0.93 -0.16 0.00 -1.16 0.00 0.00 32.46 30.72 3h5h n ARG 90 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h5h s VAL 91 N -1.90 -0.05 -0.10 1.55 1.01 -1.10 -1.32 120.40 118.48 3h5h s VAL 91 Ca 0.01 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3h5h s VAL 91 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 3h5h s VAL 91 CO 0.29 0.08 -0.16 -0.69 0.00 0.00 0.00 175.10 174.62 3h5h s VAL 92 N 0.97 2.79 -0.10 2.92 1.01 -0.01 -0.57 120.40 127.40 3h5h s VAL 92 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3h5h s VAL 92 Cb -0.12 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3h5h s VAL 92 CO -0.03 0.55 -0.13 -0.63 0.00 0.00 0.00 175.10 174.86 3h5h s ILE 93 N 0.08 3.13 0.20 2.22 1.01 0.13 -0.64 121.20 127.34 3h5h s ILE 93 Ca -0.07 -0.66 -0.21 0.00 0.00 0.00 0.00 60.65 59.71 3h5h s ILE 93 Cb -0.15 -2.28 0.04 0.00 0.01 0.00 0.00 42.46 40.08 3h5h s ILE 93 CO 0.05 0.55 0.62 -0.55 0.00 0.00 0.00 174.94 175.60 3h5h s SER 94 N -0.07 -0.40 0.09 3.58 0.15 -0.92 -0.92 113.70 115.22 3h5h s SER 94 Ca -0.02 -0.30 0.24 0.00 0.70 0.00 0.00 55.95 56.57 3h5h s SER 94 Cb -0.14 0.63 0.38 0.00 -1.71 0.00 0.00 66.02 65.18 3h5h s SER 94 CO 0.04 -1.10 1.34 -1.54 1.20 0.00 0.00 173.24 173.17 3h5h n SER 95 N -0.39 0.64 -3.63 5.45 3.41 -1.23 -0.89 113.62 116.98 3h5h n SER 95 Ca -0.11 0.05 -0.04 0.00 -0.26 0.00 0.00 58.87 58.50 3h5h n SER 95 Cb 0.63 0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 3h5h n SER 95 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3h5h s ARG 96 N -3.13 0.59 0.08 4.33 3.52 -1.26 -4.57 118.95 118.50 3h5h s ARG 96 Ca 0.07 1.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.83 3h5h s ARG 96 Cb 0.14 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 3h5h s ARG 96 CO 0.72 -0.14 0.18 -0.06 -0.81 0.00 0.00 175.30 175.18 3h5h s PHE 97 N 1.93 3.41 0.26 5.12 0.08 -1.26 0.92 117.98 128.44 3h5h s PHE 97 Ca -0.08 0.17 -0.31 0.00 0.12 0.00 0.00 56.93 56.83 3h5h s PHE 97 Cb -0.06 -1.70 -0.13 0.00 -0.57 0.00 0.00 43.02 40.56 3h5h s PHE 97 CO -0.19 0.56 1.50 0.41 -0.10 0.00 0.00 175.22 177.40 3h5h n GLY 98 N 0.19 1.04 0.13 4.36 0.00 0.38 -4.87 105.19 106.43 3h5h n GLY 98 Ca -0.06 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 3h5h n GLY 98 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h5h h ASP 99 N 4.54 -0.25 -0.72 1.61 3.32 -1.91 -0.37 116.42 122.63 3h5h h ASP 99 Ca -0.46 0.04 0.03 0.00 0.02 0.00 0.00 57.03 56.67 3h5h h ASP 99 Cb 1.25 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 3h5h h ASP 99 CO 0.78 -0.12 0.45 0.40 -1.72 0.00 0.00 179.24 179.03 3h5h h ILE 100 N -0.13 1.09 -0.09 0.35 2.04 -1.91 -2.02 117.51 116.84 3h5h h ILE 100 Ca 0.04 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3h5h h ILE 100 Cb 0.19 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3h5h h ILE 100 CO -0.11 0.16 0.05 0.15 0.00 0.00 0.00 178.15 178.41 3h5h h PHE 101 N 0.88 0.12 -0.25 1.37 3.57 -1.63 -2.30 116.94 118.69 3h5h h PHE 101 Ca 0.29 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.82 3h5h h PHE 101 Cb 0.03 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3h5h h PHE 101 CO -0.04 0.12 0.07 -0.09 -2.23 0.00 0.00 178.31 176.14 3h5h h ARG 102 N 0.08 0.18 0.14 1.11 2.43 -0.73 -0.39 114.38 117.20 3h5h h ARG 102 Ca 0.03 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3h5h h ARG 102 Cb 0.04 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3h5h h ARG 102 CO -0.01 0.12 -0.52 0.78 -1.51 0.00 0.00 179.97 178.83 3h5h h GLY 103 N 0.18 -1.18 0.47 2.80 0.00 -1.32 -2.39 103.07 101.64 3h5h h GLY 103 Ca 0.11 0.64 0.21 0.00 0.00 0.00 0.00 47.33 48.30 3h5h h GLY 103 CO -0.13 -0.28 0.55 3.43 0.00 0.00 0.00 176.54 180.11 3h5h h ASN 104 N -0.75 0.08 0.51 0.19 2.35 -1.16 -3.18 115.58 113.62 3h5h h ASN 104 Ca -0.01 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3h5h h ASN 104 Cb 0.75 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.12 3h5h h ASN 104 CO -0.27 0.03 -0.25 0.00 -1.65 0.00 0.00 177.43 175.30 3h5h h ALA 105 N 1.62 -0.69 -0.63 -0.83 0.00 -0.53 -2.46 119.26 115.75 3h5h h ALA 105 Ca 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3h5h h ALA 105 Cb 1.37 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 3h5h h ALA 105 CO -0.04 -0.86 0.41 0.78 0.00 0.00 0.00 179.25 179.54 3h5h h GLY 106 N -0.73 0.89 2.00 0.00 0.00 -1.55 -0.46 103.07 103.21 3h5h h GLY 106 Ca -0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3h5h h GLY 106 CO 0.12 0.33 -0.00 0.50 0.00 0.00 0.00 176.54 177.48 3h5h h LYS 107 N 0.85 0.00 -0.40 4.80 6.56 -1.58 -2.79 116.57 124.02 3h5h h LYS 107 Ca 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 3h5h h LYS 107 Cb -0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 3h5h h LYS 107 CO -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.34 3h5h n ALA 108 N -2.27 2.35 -0.85 3.86 0.00 -0.31 -4.75 120.51 118.54 3h5h n ALA 108 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.36 3h5h n ALA 108 Cb 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3h5h n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5h n GLY 109 N 1.14 0.51 3.40 0.00 0.00 -0.94 -4.90 105.19 104.39 3h5h n GLY 109 Ca 0.17 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3h5h n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5h s LEU 110 N 0.00 2.93 -0.37 0.99 2.96 -0.45 -4.95 118.68 119.79 3h5h s LEU 110 Ca 0.00 -0.28 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 3h5h s LEU 110 Cb 0.00 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 45.00 3h5h s LEU 110 CO 0.00 0.12 0.84 -0.22 -1.32 0.00 0.00 176.35 175.76 3h5h s LEU 111 N 0.64 4.08 -0.55 -0.68 2.96 -0.44 -3.34 118.68 121.36 3h5h s LEU 111 Ca -0.04 0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 54.15 3h5h s LEU 111 Cb -0.15 -3.11 0.14 0.00 0.50 0.00 0.00 46.19 43.57 3h5h s LEU 111 CO 0.03 -0.78 0.49 0.00 -1.32 0.00 0.00 176.35 174.76 3h5h s ALA 112 N 3.24 3.63 -0.27 5.97 0.00 -1.26 -0.83 121.76 132.24 3h5h s ALA 112 Ca 0.34 -2.63 -0.16 0.00 0.00 0.00 0.00 51.96 49.51 3h5h s ALA 112 Cb -0.13 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3h5h s ALA 112 CO 0.18 -2.02 0.42 0.00 0.00 0.00 0.00 175.76 174.34 3h5h s ALA 113 N 1.37 3.57 -0.12 0.00 0.00 0.19 -4.80 121.76 121.97 3h5h s ALA 113 Ca 0.05 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 3h5h s ALA 113 Cb -0.27 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3h5h s ALA 113 CO 0.01 -0.69 0.47 -2.00 0.00 0.00 0.00 175.76 173.55 3h5h s GLU 114 N 2.16 4.34 0.03 0.00 2.12 -0.98 -2.15 118.70 124.20 3h5h s GLU 114 Ca 0.17 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.96 3h5h s GLU 114 Cb -0.16 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3h5h s GLU 114 CO 0.10 0.15 -0.06 0.08 -0.54 0.00 0.00 175.26 174.99 3h5h s VAL 115 N 0.64 0.44 0.33 3.70 1.01 -0.06 -1.11 120.40 125.34 3h5h s VAL 115 Ca 0.26 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3h5h s VAL 115 Cb -0.15 -0.49 -0.12 0.00 0.00 0.00 0.00 36.38 35.62 3h5h s VAL 115 CO 0.10 -0.28 1.46 0.00 0.00 0.00 0.00 175.10 176.38 3h5h n ALA 116 N 1.83 2.02 -0.20 5.51 0.00 -1.26 -3.55 120.51 124.85 3h5h n ALA 116 Ca -0.21 0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.61 3h5h n ALA 116 Cb 0.56 -2.38 0.11 0.00 0.00 0.00 0.00 19.45 17.74 3h5h n ALA 116 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3h5h h GLN 117 N 3.57 0.31 -0.92 0.00 5.75 -1.93 0.43 115.11 122.32 3h5h h GLN 117 Ca -0.48 -0.02 0.26 0.00 -0.15 0.00 0.00 58.65 58.26 3h5h h GLN 117 Cb 1.25 -0.07 -0.14 0.00 1.07 0.00 0.00 27.48 29.59 3h5h h GLN 117 CO 0.70 0.20 0.34 -0.44 -2.65 0.00 0.00 178.83 176.98 3h5h h ASP 118 N 0.32 0.18 0.97 -0.69 3.32 -2.00 0.45 116.42 118.97 3h5h h ASP 118 Ca 0.32 0.19 -0.11 0.00 0.02 0.00 0.00 57.03 57.45 3h5h h ASP 118 Cb 0.45 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3h5h h ASP 118 CO -0.37 -0.13 -0.51 0.44 -1.72 0.00 0.00 179.24 176.94 3h5h h ASP 119 N 0.26 0.00 -0.03 6.45 5.19 -0.59 -2.25 116.42 125.46 3h5h h ASP 119 Ca 0.60 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 57.01 3h5h h ASP 119 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 3h5h h ASP 119 CO -0.63 0.51 -0.01 0.58 -3.12 0.00 0.00 179.24 176.57 3h5h h VAL 120 N 0.00 1.33 -0.19 -1.35 2.07 0.18 -2.12 116.25 116.17 3h5h h VAL 120 Ca -0.01 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3h5h h VAL 120 Cb 1.13 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3h5h h VAL 120 CO 0.07 0.27 0.12 -0.33 0.02 0.00 0.00 177.57 177.72 3h5h h GLU 121 N -0.34 0.26 -0.17 1.57 5.08 -0.88 -1.19 114.58 118.90 3h5h h GLU 121 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3h5h h GLU 121 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3h5h h GLU 121 CO 0.00 0.18 0.08 1.25 -1.00 0.00 0.00 179.01 179.52 3h5h h LEU 122 N 0.26 0.23 -0.62 1.33 5.85 -1.29 -2.18 115.31 118.89 3h5h h LEU 122 Ca 0.07 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3h5h h LEU 122 Cb -0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3h5h h LEU 122 CO -0.01 0.30 0.08 -0.07 -0.34 0.00 0.00 178.44 178.39 3h5h h LEU 123 N 0.15 1.01 -0.62 2.25 3.38 -0.59 -2.36 115.31 118.53 3h5h h LEU 123 Ca 0.06 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3h5h h LEU 123 Cb 0.13 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3h5h h LEU 123 CO -0.01 1.03 0.28 -0.50 0.09 0.00 0.00 178.44 179.33 3h5h h TRP 124 N 0.96 0.50 -0.17 1.13 6.55 -1.21 -1.30 115.95 122.40 3h5h h TRP 124 Ca 0.19 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.05 3h5h h TRP 124 Cb 0.46 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.62 3h5h h TRP 124 CO 0.03 0.18 0.09 0.87 -1.05 0.00 0.00 178.44 178.56 3h5h h LYS 125 N 0.50 0.25 -0.58 0.49 1.57 -1.10 -0.83 116.57 116.88 3h5h h LYS 125 Ca 0.30 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 3h5h h LYS 125 Cb 0.31 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 3h5h h LYS 125 CO -0.25 0.28 0.20 -0.07 -0.57 0.00 0.00 179.45 179.04 3h5h h LEU 126 N 0.16 0.19 -0.39 2.94 3.38 -1.02 -0.38 115.31 120.19 3h5h h LEU 126 Ca 0.06 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 3h5h h LEU 126 Cb 0.11 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3h5h h LEU 126 CO -0.01 0.12 -0.67 0.40 0.09 0.00 0.00 178.44 178.38 3h5h h ILE 127 N 0.38 1.33 -0.01 1.22 2.04 -1.05 -1.80 117.51 119.62 3h5h h ILE 127 Ca 0.29 -1.96 -0.19 0.00 1.00 0.00 0.00 64.86 63.99 3h5h h ILE 127 Cb 0.35 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3h5h h ILE 127 CO -0.30 0.61 -0.84 -0.33 0.00 0.00 0.00 178.15 177.29 3h5h h GLU 128 N 0.41 0.21 0.00 2.37 5.08 -0.87 0.22 114.58 121.99 3h5h h GLU 128 Ca -0.02 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3h5h h GLU 128 Cb 1.24 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3h5h h GLU 128 CO 0.12 0.93 -0.28 1.96 -1.00 0.00 0.00 179.01 180.75 3h5h h GLN 129 N 0.12 0.00 -1.86 2.33 1.08 -1.06 -3.39 115.11 112.33 3h5h h GLN 129 Ca -0.04 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.68 3h5h h GLN 129 Cb 1.45 0.00 -0.38 0.00 -0.05 0.00 0.00 27.48 28.50 3h5h h GLN 129 CO 0.13 0.28 -1.13 0.43 -0.95 0.00 0.00 178.83 177.59 3h5h n SER 130 N -3.25 0.46 -4.53 1.46 7.64 -0.68 -5.09 113.62 109.64 3h5h n SER 130 Ca 0.02 -2.99 -0.52 0.00 1.01 0.00 0.00 58.87 56.38 3h5h n SER 130 Cb 0.57 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 3h5h n SER 130 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3h5h n PRO 131 N 0.53 0.61 0.00 1.43 -0.02 0.05 -0.94 135.00 136.66 3h5h n PRO 131 Ca 0.23 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3h5h n PRO 131 Cb 0.64 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3h5h n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h5h n GLY 132 N 1.91 2.86 3.61 -1.23 0.00 -1.26 -4.91 105.19 106.17 3h5h n GLY 132 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 3h5h n GLY 132 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h5h n LEU 133 N 0.00 2.09 -4.75 0.99 7.94 -0.12 -4.81 117.00 118.35 3h5h n LEU 133 Ca 0.00 1.15 -0.36 0.00 -1.11 0.00 0.00 56.01 55.69 3h5h n LEU 133 Cb 0.00 -1.30 -0.07 0.00 0.53 0.00 0.00 43.42 42.58 3h5h n LEU 133 CO 0.00 -1.04 -0.11 -1.61 -1.11 0.00 0.00 177.39 173.52 3h5h s GLU 134 N -0.55 4.14 -0.15 1.96 2.02 -1.26 -2.32 118.70 122.53 3h5h s GLU 134 Ca 0.70 -0.07 -0.10 0.00 0.02 0.00 0.00 54.97 55.51 3h5h s GLU 134 Cb -0.76 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.02 3h5h s GLU 134 CO 0.52 0.33 0.18 0.42 0.02 0.00 0.00 175.26 176.73 3h5h s ILE 135 N 0.24 5.40 -0.09 -1.63 1.09 -0.37 -4.46 121.20 121.37 3h5h s ILE 135 Ca 0.12 0.30 -0.01 0.00 -1.10 0.00 0.00 60.65 59.96 3h5h s ILE 135 Cb -0.12 -3.49 -0.03 0.00 -1.06 0.00 0.00 42.46 37.76 3h5h s ILE 135 CO 0.01 0.50 -0.05 -0.89 -0.10 0.00 0.00 174.94 174.41 3h5h s THR 136 N -0.20 3.83 -0.24 2.92 2.01 0.12 -2.49 115.64 121.59 3h5h s THR 136 Ca 0.13 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.73 3h5h s THR 136 Cb -0.12 -2.60 0.04 0.00 0.01 0.00 0.00 72.50 69.83 3h5h s THR 136 CO 0.02 0.57 -0.13 0.00 -0.69 0.00 0.00 174.62 174.39 3h5h s ALA 137 N -0.51 2.52 -0.34 7.40 0.00 -0.10 -0.54 121.76 130.18 3h5h s ALA 137 Ca 0.08 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.35 3h5h s ALA 137 Cb -0.12 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.52 3h5h s ALA 137 CO 0.02 -0.92 0.18 1.21 0.00 0.00 0.00 175.76 176.26 3h5h s ASN 138 N 1.18 5.66 0.16 0.00 3.84 -0.07 -1.89 114.94 123.83 3h5h s ASN 138 Ca -0.04 -0.76 0.08 0.00 0.21 0.00 0.00 52.86 52.36 3h5h s ASN 138 Cb -0.18 -2.02 -0.07 0.00 -0.55 0.00 0.00 41.25 38.43 3h5h s ASN 138 CO -0.07 -0.29 1.36 0.25 -2.79 0.00 0.00 177.10 175.55 3h5h h LEU 139 N 8.40 0.00 -0.17 3.21 5.85 -0.52 0.28 115.31 132.36 3h5h h LEU 139 Ca -0.29 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 3h5h h LEU 139 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3h5h h LEU 139 CO 0.64 0.88 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.99 3h5h h GLN 140 N 0.00 0.31 -0.01 1.25 4.15 -1.94 -3.23 115.11 115.65 3h5h h GLN 140 Ca -0.01 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3h5h h GLN 140 Cb 1.60 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.27 3h5h h GLN 140 CO 0.11 0.58 -0.47 -0.25 -1.93 0.00 0.00 178.83 176.87 3h5h n ASP 141 N -4.69 1.17 -3.57 -0.69 8.00 -1.23 -4.98 116.55 110.56 3h5h n ASP 141 Ca -0.05 -0.94 -0.20 0.00 0.71 0.00 0.00 54.79 54.31 3h5h n ASP 141 Cb 0.25 0.37 0.07 0.00 -0.02 0.00 0.00 41.12 41.79 3h5h n ASP 141 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h5h n ARG 142 N -0.79 -6.25 -4.28 -1.24 5.12 0.91 -4.96 116.66 105.17 3h5h n ARG 142 Ca 0.09 0.76 -0.21 0.00 -1.93 0.00 0.00 57.85 56.55 3h5h n ARG 142 Cb 0.37 -5.64 -0.12 0.00 -1.16 0.00 0.00 32.46 25.92 3h5h n ARG 142 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3h5h s ILE 143 N -3.44 1.61 -0.14 0.55 -4.36 -0.79 -2.02 121.20 112.60 3h5h s ILE 143 Ca 0.14 -1.67 -0.04 0.00 -0.26 0.00 0.00 60.65 58.82 3h5h s ILE 143 Cb -0.07 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.02 3h5h s ILE 143 CO 0.76 -0.23 -0.03 -0.63 0.24 0.00 0.00 174.94 175.05 3h5h s ILE 144 N -1.66 3.99 -0.04 8.37 -1.09 0.21 -0.89 121.20 130.10 3h5h s ILE 144 Ca 0.09 -0.33 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 3h5h s ILE 144 Cb -0.08 -2.74 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3h5h s ILE 144 CO 0.05 0.51 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.14 3h5h s THR 145 N 0.16 1.86 -0.12 2.92 2.01 0.29 -0.22 115.64 122.55 3h5h s THR 145 Ca -0.01 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 3h5h s THR 145 Cb -0.14 -1.57 0.06 0.00 0.01 0.00 0.00 72.50 70.86 3h5h s THR 145 CO 0.03 0.52 0.27 0.00 -0.69 0.00 0.00 174.62 174.74 3h5h s ALA 146 N -0.28 -0.59 0.00 7.40 0.00 -0.49 -0.70 121.76 127.10 3h5h s ALA 146 Ca 0.01 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3h5h s ALA 146 Cb -0.11 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.12 3h5h s ALA 146 CO 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 175.76 175.31 3h5h n ALA 147 N 4.91 0.00 -0.48 0.00 0.00 -1.26 -0.34 120.51 123.34 3h5h n ALA 147 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.40 3h5h n ALA 147 Cb 0.51 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.26 3h5h n ALA 147 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h5h n THR 148 N 0.00 1.43 -3.18 0.00 -2.24 -1.26 -4.92 114.28 104.10 3h5h n THR 148 Ca 0.00 -1.14 -0.39 0.00 -2.27 0.00 0.00 64.05 60.25 3h5h n THR 148 Cb 0.00 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 3h5h n THR 148 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5h s VAL 149 N -1.47 5.03 -0.11 2.28 1.01 0.54 -5.07 120.40 122.60 3h5h s VAL 149 Ca 0.44 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.68 3h5h s VAL 149 Cb 0.26 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3h5h s VAL 149 CO 0.25 0.34 -0.20 -0.69 0.00 0.00 0.00 175.10 174.80 3h5h s VAL 150 N 0.34 1.82 -0.00 2.92 1.01 -1.26 -1.39 120.40 123.83 3h5h s VAL 150 Ca 0.32 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3h5h s VAL 150 Cb -0.17 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3h5h s VAL 150 CO 0.16 0.50 -0.17 -0.76 0.00 0.00 0.00 175.10 174.83 3h5h s LEU 151 N 0.71 2.05 0.45 3.92 1.43 0.69 -4.97 118.68 122.96 3h5h s LEU 151 Ca -0.11 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.44 3h5h s LEU 151 Cb -0.16 -0.87 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 3h5h s LEU 151 CO 0.02 0.20 0.99 -2.16 0.23 0.00 0.00 176.35 175.62 3h5h s PRO 152 N -0.51 4.07 0.10 1.29 0.04 -1.26 0.67 135.00 139.40 3h5h s PRO 152 Ca 0.06 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3h5h s PRO 152 Cb -0.07 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3h5h s PRO 152 CO -0.00 -0.18 -0.08 -0.59 0.04 0.00 0.00 177.00 176.18 3h5h s PHE 153 N -2.05 1.00 -0.02 0.56 -0.12 -0.86 -4.70 117.98 111.78 3h5h s PHE 153 Ca 0.63 -0.78 0.02 0.00 -0.05 0.00 0.00 56.93 56.75 3h5h s PHE 153 Cb -0.13 -0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 41.68 3h5h s PHE 153 CO 0.17 -0.06 -0.03 0.15 -0.05 0.00 0.00 175.22 175.40 3h5h s LYS 154 N -3.34 2.72 -0.14 1.99 1.02 -0.27 -4.78 119.74 116.94 3h5h s LYS 154 Ca 0.09 -0.62 -0.15 0.00 0.02 0.00 0.00 55.97 55.32 3h5h s LYS 154 Cb 0.01 -2.61 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3h5h s LYS 154 CO -0.02 0.63 0.41 -1.50 -0.92 0.00 0.00 175.35 173.95 3h5h s ILE 155 N -0.99 0.00 0.44 2.17 2.07 -1.26 -2.33 121.20 121.30 3h5h s ILE 155 Ca 0.17 -0.03 -0.23 0.00 -1.41 0.00 0.00 60.65 59.14 3h5h s ILE 155 Cb -0.11 -0.58 -0.08 0.00 0.13 0.00 0.00 42.46 41.81 3h5h s ILE 155 CO 0.07 -0.02 1.12 1.51 -1.91 0.00 0.00 174.94 175.71 3h5h s ASP 156 N 0.09 6.38 0.51 4.50 -4.77 -1.26 -4.87 116.67 117.24 3h5h s ASP 156 Ca -0.01 2.20 0.17 0.00 -3.30 0.00 0.00 52.55 51.62 3h5h s ASP 156 Cb -0.03 -2.60 1.26 0.00 -1.09 0.00 0.00 42.92 40.46 3h5h s ASP 156 CO 0.01 -0.77 2.11 0.44 0.70 0.00 0.00 175.17 177.67 3h5h h ASP 157 N 2.19 0.00 -0.52 2.11 3.32 -2.01 -1.83 116.42 119.69 3h5h h ASP 157 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 3h5h h ASP 157 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3h5h h ASP 157 CO 0.61 0.06 0.09 0.45 -1.72 0.00 0.00 179.24 178.73 3h5h h HIS 158 N 0.00 0.90 -0.32 4.55 3.86 -1.99 -0.49 115.15 121.66 3h5h h HIS 158 Ca -0.00 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3h5h h HIS 158 Cb 0.11 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3h5h h HIS 158 CO 0.00 0.81 0.19 0.77 0.86 0.00 0.00 177.93 180.56 3h5h h SER 159 N 0.73 0.39 -0.63 2.45 0.02 -1.74 -2.18 113.55 112.60 3h5h h SER 159 Ca 0.16 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3h5h h SER 159 Cb 0.39 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 3h5h h SER 159 CO 0.01 0.35 0.35 0.00 -1.14 0.00 0.00 176.83 176.40 3h5h h ALA 160 N 1.06 0.83 -0.56 3.77 0.00 -1.14 -1.59 119.26 121.64 3h5h h ALA 160 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3h5h h ALA 160 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h5h h ALA 160 CO -0.02 0.03 0.15 2.35 0.00 0.00 0.00 179.25 181.77 3h5h h TRP 161 N 0.66 0.87 -0.45 0.00 7.01 -0.84 0.11 115.95 123.31 3h5h h TRP 161 Ca 0.28 -0.07 -0.11 0.00 2.11 0.00 0.00 58.89 61.09 3h5h h TRP 161 Cb 0.15 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 3h5h h TRP 161 CO -0.08 0.72 -0.18 0.00 -2.79 0.00 0.00 178.44 176.11 3h5h h ARG 162 N 0.82 0.87 -0.01 2.65 3.08 -0.77 -1.87 114.38 119.15 3h5h h ARG 162 Ca 0.18 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3h5h h ARG 162 Cb 0.27 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3h5h h ARG 162 CO -0.00 0.98 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.79 3h5h h LEU 163 N 0.76 0.02 -1.31 3.04 3.38 -0.89 -2.70 115.31 117.61 3h5h h LEU 163 Ca 0.11 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3h5h h LEU 163 Cb 0.71 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3h5h h LEU 163 CO 0.05 0.50 0.35 -0.07 0.09 0.00 0.00 178.44 179.36 3h5h h LEU 164 N -0.46 0.72 -0.02 1.67 3.38 -0.99 -1.05 115.31 118.57 3h5h h LEU 164 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h5h h LEU 164 Cb 0.49 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3h5h h LEU 164 CO 0.00 0.57 -0.00 -0.62 0.09 0.00 0.00 178.44 178.47 3h5h n GLU 165 N -4.40 0.74 -3.50 1.13 -0.58 -0.71 -3.44 120.64 109.88 3h5h n GLU 165 Ca 0.06 -0.02 -0.25 0.00 -0.42 0.00 0.00 57.16 56.53 3h5h n GLU 165 Cb 0.08 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.51 3h5h n GLU 165 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h5h n GLY 166 N 1.14 -0.53 2.12 0.62 0.00 -0.40 -4.21 105.19 103.93 3h5h n GLY 166 Ca 0.19 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 3h5h n GLY 166 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h5h n LEU 167 N -4.65 6.00 0.00 0.99 4.77 -1.04 -4.56 117.00 118.51 3h5h n LEU 167 Ca -0.02 -3.47 0.00 0.00 -0.03 0.00 0.00 56.01 52.49 3h5h n LEU 167 Cb 0.57 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3h5h n LEU 167 CO 0.62 1.53 0.17 -0.90 -1.33 0.00 0.00 177.39 177.48