#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u13 s ALA 3 N 0.00 3.94 -0.15 7.33 0.00 -1.26 -5.06 121.76 126.57 1u13 s ALA 3 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 1u13 s ALA 3 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1u13 s ALA 3 CO 0.00 0.73 1.44 0.08 0.00 0.00 0.00 175.76 178.01 1u13 s VAL 4 N -1.32 3.96 0.24 0.00 1.01 -1.26 -4.99 120.40 118.04 1u13 s VAL 4 Ca 0.27 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 1u13 s VAL 4 Cb -0.13 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 1u13 s VAL 4 CO 0.18 -0.16 1.13 0.00 0.00 0.00 0.00 175.10 176.25 1u13 s ALA 5 N 3.98 3.41 0.56 5.51 0.00 -1.26 -4.95 121.76 129.01 1u13 s ALA 5 Ca 0.63 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.37 1u13 s ALA 5 Cb -0.26 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1u13 s ALA 5 CO 0.22 -0.23 0.99 -0.51 0.00 0.00 0.00 175.76 176.23 1u13 s LEU 6 N -0.99 3.44 0.35 0.00 1.02 -1.26 -4.99 118.68 116.26 1u13 s LEU 6 Ca 0.47 1.44 -0.28 0.00 0.02 0.00 0.00 54.13 55.79 1u13 s LEU 6 Cb -0.32 -4.43 -0.12 0.00 0.02 0.00 0.00 46.19 41.34 1u13 s LEU 6 CO 0.39 -0.71 1.35 -0.81 0.02 0.00 0.00 176.35 176.59 1u13 n PRO 7 N -2.17 2.29 -5.18 1.29 -0.04 -1.26 -4.88 135.00 125.06 1u13 n PRO 7 Ca 0.06 0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 64.02 1u13 n PRO 7 Cb 0.54 -2.43 -0.16 0.00 -0.04 0.00 0.00 33.50 31.41 1u13 n PRO 7 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1u13 s ARG 8 N -1.95 2.30 0.65 0.54 6.06 -1.26 -1.64 118.95 123.65 1u13 s ARG 8 Ca 0.55 -0.84 -0.15 0.00 -2.50 0.00 0.00 55.73 52.79 1u13 s ARG 8 Cb -0.54 -2.00 -0.00 0.00 0.06 0.00 0.00 34.95 32.47 1u13 s ARG 8 CO 0.63 0.38 1.10 0.54 -2.50 0.00 0.00 175.30 175.45 1u13 s VAL 9 N -0.20 3.34 1.06 7.11 0.11 -0.68 -4.93 120.40 126.21 1u13 s VAL 9 Ca -0.01 0.61 -0.12 0.00 -2.93 0.00 0.00 61.98 59.53 1u13 s VAL 9 Cb -0.13 -3.14 0.22 0.00 -1.53 0.00 0.00 36.38 31.81 1u13 s VAL 9 CO 0.03 -0.40 1.07 -0.94 -3.33 0.00 0.00 175.10 171.52 1u13 s SER 10 N -2.67 1.90 0.09 3.54 1.04 -1.26 -4.81 113.70 111.52 1u13 s SER 10 Ca 0.66 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1u13 s SER 10 Cb -0.20 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1u13 s SER 10 CO 0.42 -3.64 0.00 0.61 0.98 0.00 0.00 173.24 171.61 1u13 n GLY 11 N 0.14 -0.16 2.89 7.32 0.00 -1.26 -4.98 105.19 109.15 1u13 n GLY 11 Ca 0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1u13 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u13 n GLY 12 N 0.00 -0.17 1.14 -0.02 0.00 -1.26 -4.91 105.19 99.97 1u13 n GLY 12 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1u13 n GLY 12 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u13 n HIS 13 N -4.28 0.66 -1.67 1.61 8.25 -1.26 -4.22 115.22 114.32 1u13 n HIS 13 Ca -0.03 -0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 56.80 1u13 n HIS 13 Cb 0.56 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.84 1u13 n HIS 13 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u13 s ASP 14 N -1.26 3.11 0.23 0.41 1.01 -1.22 -4.88 116.67 114.06 1u13 s ASP 14 Ca 0.41 0.63 -0.12 0.00 0.71 0.00 0.00 52.55 54.17 1u13 s ASP 14 Cb 0.23 -0.94 0.31 0.00 1.01 0.00 0.00 42.92 43.52 1u13 s ASP 14 CO 0.31 -2.77 1.60 -0.08 0.21 0.00 0.00 175.17 174.44 1u13 h GLU 15 N -1.65 -0.01 -1.13 8.23 4.81 -2.04 -1.60 114.58 121.19 1u13 h GLU 15 Ca -0.47 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.12 1u13 h GLU 15 Cb 1.29 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.34 1u13 h GLU 15 CO 0.49 -0.01 0.29 0.72 -0.73 0.00 0.00 179.01 179.77 1u13 n HIS 16 N -5.50 3.08 0.00 0.92 8.25 -1.26 -5.01 115.22 115.69 1u13 n HIS 16 Ca 0.10 -2.71 0.00 0.00 -0.26 0.00 0.00 57.72 54.86 1u13 n HIS 16 Cb 0.39 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1u13 n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u13 n GLY 17 N -0.76 3.04 0.45 -1.41 0.00 -0.60 -1.89 105.19 104.02 1u13 n GLY 17 Ca 0.54 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.51 1u13 n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u13 n HIS 18 N 13.22 0.00 -0.23 1.61 8.25 0.70 -3.44 115.22 135.33 1u13 n HIS 18 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1u13 n HIS 18 Cb 0.00 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 31.21 1u13 n HIS 18 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1u13 h LEU 19 N 2.20 0.45 -0.70 2.41 6.46 -1.21 0.18 115.31 125.11 1u13 h LEU 19 Ca 0.00 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1u13 h LEU 19 Cb 0.49 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1u13 h LEU 19 CO 0.00 0.27 0.45 -0.33 -0.62 0.00 0.00 178.44 178.22 1u13 h GLU 20 N 0.59 0.88 -0.26 1.25 3.07 -1.80 -0.61 114.58 117.70 1u13 h GLU 20 Ca 0.32 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.98 1u13 h GLU 20 Cb 0.29 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1u13 h GLU 20 CO -0.24 0.58 -0.42 1.49 -1.40 0.00 0.00 179.01 179.02 1u13 h GLU 21 N 0.90 0.65 0.00 2.33 4.81 -1.67 -2.57 114.58 119.03 1u13 h GLU 21 Ca 0.27 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1u13 h GLU 21 Cb -0.04 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1u13 h GLU 21 CO -0.08 0.95 -0.05 0.35 -0.73 0.00 0.00 179.01 179.45 1u13 h PHE 22 N 0.53 0.00 0.00 0.92 3.57 0.19 0.30 116.94 122.45 1u13 h PHE 22 Ca 0.04 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1u13 h PHE 22 Cb 0.95 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1u13 h PHE 22 CO 0.04 0.05 -0.40 0.00 -2.23 0.00 0.00 178.31 175.77 1u13 h ARG 23 N 0.00 0.00 0.00 1.11 3.08 -0.76 -3.22 114.38 114.59 1u13 h ARG 23 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 1u13 h ARG 23 Cb 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 1u13 h ARG 23 CO 0.01 0.28 -2.40 0.25 -1.07 0.00 0.00 179.97 177.03 1u13 n THR 24 N -3.13 1.41 -2.93 2.04 -2.24 -0.52 -3.81 114.28 105.10 1u13 n THR 24 Ca 0.02 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 61.05 1u13 n THR 24 Cb 0.66 -1.18 -0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1u13 n THR 24 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1u13 n ASP 25 N -3.11 -1.84 -0.04 3.42 2.03 0.95 -4.85 116.55 113.10 1u13 n ASP 25 Ca -0.41 -3.01 0.03 0.00 0.52 0.00 0.00 54.79 51.92 1u13 n ASP 25 Cb 1.01 0.89 0.38 0.00 -0.72 0.00 0.00 41.12 42.68 1u13 n ASP 25 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1u13 h PRO 26 N 4.22 0.63 -0.25 -0.67 0.13 -1.61 -2.16 132.00 132.29 1u13 h PRO 26 Ca -0.03 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.92 1u13 h PRO 26 Cb 0.98 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1u13 h PRO 26 CO 0.34 0.43 -0.37 0.82 -0.23 0.00 0.00 178.00 178.99 1u13 h ILE 27 N 0.64 1.31 -0.73 -3.56 2.04 -1.92 -1.16 117.51 114.13 1u13 h ILE 27 Ca 0.17 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1u13 h ILE 27 Cb -0.05 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1u13 h ILE 27 CO -0.03 0.50 0.36 1.23 0.00 0.00 0.00 178.15 180.20 1u13 h GLY 28 N 0.40 1.11 0.79 5.37 0.00 -1.91 -0.32 103.07 108.52 1u13 h GLY 28 Ca 0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1u13 h GLY 28 CO 0.09 0.50 0.02 -2.00 0.00 0.00 0.00 176.54 175.15 1u13 h LEU 29 N 1.03 0.16 -1.18 3.11 5.85 -1.28 -1.23 115.31 121.77 1u13 h LEU 29 Ca 0.25 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1u13 h LEU 29 Cb 0.09 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1u13 h LEU 29 CO -0.03 0.38 -0.06 0.24 -0.34 0.00 0.00 178.44 178.62 1u13 h MET 30 N -0.06 0.49 -0.21 1.25 2.86 -0.93 -1.58 114.93 116.75 1u13 h MET 30 Ca 0.03 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1u13 h MET 30 Cb 0.28 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1u13 h MET 30 CO 0.00 0.57 -0.45 0.37 1.06 0.00 0.00 176.91 178.46 1u13 h GLN 31 N 0.46 0.53 -0.06 1.72 5.75 -0.94 -2.54 115.11 120.03 1u13 h GLN 31 Ca 0.09 -0.29 -0.12 0.00 -0.15 0.00 0.00 58.65 58.19 1u13 h GLN 31 Cb 0.40 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1u13 h GLN 31 CO 0.02 0.87 -0.50 -0.09 -2.65 0.00 0.00 178.83 176.48 1u13 h ARG 32 N 0.43 0.17 -0.07 1.69 2.43 -0.70 0.21 114.38 118.53 1u13 h ARG 32 Ca 0.03 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1u13 h ARG 32 Cb 0.95 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1u13 h ARG 32 CO 0.08 0.63 0.04 0.28 -1.51 0.00 0.00 179.97 179.50 1u13 h VAL 33 N 0.13 1.07 -0.35 0.20 2.07 -1.05 -0.46 116.25 117.86 1u13 h VAL 33 Ca 0.00 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1u13 h VAL 33 Cb 0.93 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1u13 h VAL 33 CO 0.07 0.06 -0.04 -0.09 0.02 0.00 0.00 177.57 177.59 1u13 h ARG 34 N 0.05 0.64 -0.55 1.57 2.43 -1.17 -0.35 114.38 117.00 1u13 h ARG 34 Ca 0.03 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1u13 h ARG 34 Cb 0.05 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1u13 h ARG 34 CO -0.00 0.78 0.34 -0.44 -1.51 0.00 0.00 179.97 179.14 1u13 h ASP 35 N 0.44 0.57 0.40 -3.80 3.32 -0.43 -0.21 116.42 116.71 1u13 h ASP 35 Ca 0.09 -0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.83 1u13 h ASP 35 Cb 0.51 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.96 1u13 h ASP 35 CO 0.03 0.40 -1.46 -0.33 -1.72 0.00 0.00 179.24 176.16 1u13 h GLU 36 N 0.69 0.39 0.00 3.56 5.08 -1.07 -3.41 114.58 119.82 1u13 h GLU 36 Ca 0.22 -0.67 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1u13 h GLU 36 Cb -0.01 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1u13 h GLU 36 CO -0.08 1.30 -1.57 1.28 -1.00 0.00 0.00 179.01 178.94 1u13 n LEU 37 N -3.60 0.00 0.00 1.33 4.77 -0.14 -5.10 117.00 114.26 1u13 n LEU 37 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1u13 n LEU 37 Cb 1.07 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1u13 n LEU 37 CO 0.56 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1u13 n GLY 38 N 2.11 -0.03 0.29 -0.72 0.00 -0.09 -4.55 105.19 102.20 1u13 n GLY 38 Ca -0.08 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.25 1u13 n GLY 38 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u13 h ASP 39 N 0.00 0.00 -3.27 1.61 3.32 -1.85 -3.39 116.42 112.84 1u13 h ASP 39 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1u13 h ASP 39 Cb 0.00 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.16 1u13 h ASP 39 CO 0.00 0.04 -0.77 -0.69 -1.72 0.00 0.00 179.24 176.10 1u13 s VAL 40 N -4.08 0.60 0.18 -1.35 1.01 -1.26 -1.30 120.40 114.21 1u13 s VAL 40 Ca -0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 1u13 s VAL 40 Cb 0.12 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1u13 s VAL 40 CO 0.51 0.08 0.42 -0.83 0.00 0.00 0.00 175.10 175.28 1u13 s GLY 41 N 1.85 0.17 0.17 4.51 0.00 -1.00 -4.78 107.32 108.24 1u13 s GLY 41 Ca 0.02 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.26 1u13 s GLY 41 CO -0.07 -0.52 -0.09 -0.51 0.00 0.00 0.00 173.10 171.91 1u13 s THR 42 N -3.92 1.19 0.04 0.90 -4.23 -0.65 0.20 115.64 109.17 1u13 s THR 42 Ca 0.13 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1u13 s THR 42 Cb 0.01 -1.95 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 1u13 s THR 42 CO -0.01 -0.66 0.05 0.72 -0.54 0.00 0.00 174.62 174.17 1u13 s PHE 43 N -3.32 0.30 -0.26 3.99 -0.12 -0.81 -1.69 117.98 116.07 1u13 s PHE 43 Ca 0.19 -0.68 -0.16 0.00 -0.05 0.00 0.00 56.93 56.23 1u13 s PHE 43 Cb 0.03 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 1u13 s PHE 43 CO 0.02 -0.35 0.42 -1.14 -0.05 0.00 0.00 175.22 174.12 1u13 s GLN 44 N -2.89 4.04 -0.69 1.99 0.74 -1.26 -1.11 119.66 120.48 1u13 s GLN 44 Ca -0.03 0.15 -0.04 0.00 0.05 0.00 0.00 55.36 55.49 1u13 s GLN 44 Cb 0.01 -3.65 0.18 0.00 1.10 0.00 0.00 33.01 30.64 1u13 s GLN 44 CO -0.06 -0.29 0.53 -1.17 -0.55 0.00 0.00 175.29 173.75 1u13 s LEU 45 N 2.11 5.51 0.00 3.68 2.96 0.26 -0.22 118.68 132.98 1u13 s LEU 45 Ca 0.17 -2.93 0.00 0.00 -0.22 0.00 0.00 54.13 51.15 1u13 s LEU 45 Cb -0.16 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1u13 s LEU 45 CO 0.10 -0.38 0.00 0.00 -1.32 0.00 0.00 176.35 174.75 1u13 n ALA 46 N 3.42 0.00 1.14 5.97 0.00 -0.79 -0.79 120.51 129.46 1u13 n ALA 46 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1u13 n ALA 46 Cb 0.39 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.13 1u13 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u13 n GLY 47 N 0.00 0.35 3.66 0.00 0.00 -1.26 -4.74 105.19 103.20 1u13 n GLY 47 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1u13 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u13 s LYS 48 N -1.70 2.48 -0.19 1.61 -0.14 0.03 -5.11 119.74 116.72 1u13 s LYS 48 Ca 0.28 -0.86 -0.07 0.00 -1.36 0.00 0.00 55.97 53.97 1u13 s LYS 48 Cb 0.15 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.76 1u13 s LYS 48 CO 0.21 0.54 0.04 -1.14 -0.76 0.00 0.00 175.35 174.25 1u13 s GLN 49 N -2.22 3.85 -0.25 1.68 0.74 -1.26 -0.57 119.66 121.64 1u13 s GLN 49 Ca 0.24 -0.40 -0.07 0.00 0.05 0.00 0.00 55.36 55.18 1u13 s GLN 49 Cb -0.12 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 1u13 s GLN 49 CO 0.17 0.18 0.07 0.08 -0.55 0.00 0.00 175.29 175.23 1u13 s VAL 50 N 0.59 4.28 -0.62 1.34 1.01 -0.27 -2.02 120.40 124.72 1u13 s VAL 50 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1u13 s VAL 50 Cb -0.13 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.36 1u13 s VAL 50 CO 0.02 0.35 0.74 -0.69 0.00 0.00 0.00 175.10 175.51 1u13 s VAL 51 N 1.57 4.84 -0.33 2.92 1.01 0.30 -1.92 120.40 128.80 1u13 s VAL 51 Ca 0.06 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 1u13 s VAL 51 Cb -0.15 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.73 1u13 s VAL 51 CO 0.03 -1.15 0.83 -0.22 0.00 0.00 0.00 175.10 174.59 1u13 s LEU 52 N 2.61 4.07 -0.03 3.92 2.96 0.13 -1.20 118.68 131.15 1u13 s LEU 52 Ca 0.13 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1u13 s LEU 52 Cb -0.22 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 1u13 s LEU 52 CO 0.05 -0.70 0.18 -0.76 -1.32 0.00 0.00 176.35 173.80 1u13 s LEU 53 N 3.11 4.37 0.09 -0.68 1.43 0.95 -2.39 118.68 125.58 1u13 s LEU 53 Ca 0.34 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 1u13 s LEU 53 Cb -0.13 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1u13 s LEU 53 CO 0.15 0.29 0.33 -0.94 0.23 0.00 0.00 176.35 176.40 1u13 s SER 54 N -1.77 -0.12 0.00 2.29 1.04 -0.42 -4.12 113.70 110.60 1u13 s SER 54 Ca 0.25 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1u13 s SER 54 Cb -0.13 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1u13 s SER 54 CO 0.16 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1u13 n GLY 55 N 0.03 0.70 0.20 7.32 0.00 -1.26 -4.23 105.19 107.95 1u13 n GLY 55 Ca -0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 1u13 n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u13 h SER 56 N 0.00 0.20 0.51 1.61 0.87 -1.99 -1.21 113.55 113.54 1u13 h SER 56 Ca 0.00 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1u13 h SER 56 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1u13 h SER 56 CO 0.00 0.14 -0.24 -0.74 -0.53 0.00 0.00 176.83 175.46 1u13 h HIS 57 N 0.37 -0.63 -0.67 2.24 -0.00 -1.95 -1.00 115.15 113.51 1u13 h HIS 57 Ca 0.23 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.53 1u13 h HIS 57 Cb 0.23 0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 1u13 h HIS 57 CO -0.15 -0.36 0.18 0.00 -0.00 0.00 0.00 177.93 177.60 1u13 h ALA 58 N -0.28 1.06 -0.65 5.26 0.00 -1.72 -2.74 119.26 120.19 1u13 h ALA 58 Ca -0.07 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1u13 h ALA 58 Cb 0.55 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1u13 h ALA 58 CO 0.11 0.63 0.10 -0.91 0.00 0.00 0.00 179.25 179.18 1u13 h ASN 59 N 1.00 1.04 -0.42 0.00 4.21 -1.19 -2.18 115.58 118.03 1u13 h ASN 59 Ca 0.21 -0.25 0.03 0.00 1.21 0.00 0.00 56.30 57.51 1u13 h ASN 59 Cb 0.32 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.21 1u13 h ASN 59 CO -0.00 1.04 0.21 -0.08 -1.29 0.00 0.00 177.43 177.30 1u13 h GLU 60 N 1.01 0.41 -0.37 0.81 4.81 -0.88 0.43 114.58 120.79 1u13 h GLU 60 Ca 0.20 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1u13 h GLU 60 Cb 0.45 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1u13 h GLU 60 CO 0.01 0.27 0.15 0.35 -0.73 0.00 0.00 179.01 179.06 1u13 h PHE 61 N 0.42 0.27 0.18 0.92 3.57 -1.30 -0.57 116.94 120.44 1u13 h PHE 61 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1u13 h PHE 61 Cb 0.09 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1u13 h PHE 61 CO -0.10 0.12 -0.17 0.35 -2.23 0.00 0.00 178.31 176.28 1u13 h PHE 62 N 0.32 -0.45 0.00 0.41 3.57 -0.71 -2.38 116.94 117.70 1u13 h PHE 62 Ca 0.17 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1u13 h PHE 62 Cb 0.12 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1u13 h PHE 62 CO -0.13 -0.26 -0.52 0.74 -2.23 0.00 0.00 178.31 175.91 1u13 h PHE 63 N -0.38 0.00 -0.00 0.41 0.04 -0.81 -3.21 116.94 112.98 1u13 h PHE 63 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1u13 h PHE 63 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1u13 h PHE 63 CO -0.13 0.52 -0.41 0.54 -0.60 0.00 0.00 178.31 178.22 1u13 n ARG 64 N -3.43 0.15 -1.96 1.51 1.74 -0.23 -3.72 116.66 110.72 1u13 n ARG 64 Ca 0.00 -0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 1u13 n ARG 64 Cb 0.65 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 1u13 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u13 s ALA 65 N -2.91 3.62 0.87 7.54 0.00 -0.90 -4.96 121.76 125.02 1u13 s ALA 65 Ca 0.14 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1u13 s ALA 65 Cb 0.18 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1u13 s ALA 65 CO 0.65 -0.81 1.09 0.20 0.00 0.00 0.00 175.76 176.89 1u13 s GLY 66 N 0.15 1.62 0.25 0.00 0.00 -1.26 -4.77 107.32 103.31 1u13 s GLY 66 Ca 0.57 -0.09 0.19 0.00 0.00 0.00 0.00 44.72 45.39 1u13 s GLY 66 CO 0.49 0.38 1.59 1.22 0.00 0.00 0.00 173.10 176.78 1u13 n ASP 67 N -3.77 0.50 0.12 1.64 8.00 -1.26 -1.30 116.55 120.47 1u13 n ASP 67 Ca 0.07 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.38 1u13 n ASP 67 Cb 0.55 -0.77 0.05 0.00 -0.02 0.00 0.00 41.12 40.93 1u13 n ASP 67 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1u13 h ASP 68 N 0.00 0.00 0.00 -2.24 3.32 -2.00 -3.37 116.42 112.14 1u13 h ASP 68 Ca 0.00 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.80 1u13 h ASP 68 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1u13 h ASP 68 CO 0.00 0.01 -1.50 0.47 -1.72 0.00 0.00 179.24 176.50 1u13 n ASP 69 N -2.69 1.90 -4.02 6.45 8.00 -0.42 -4.53 116.55 121.24 1u13 n ASP 69 Ca 0.01 0.42 -0.31 0.00 0.71 0.00 0.00 54.79 55.62 1u13 n ASP 69 Cb 0.53 -0.86 -0.15 0.00 -0.02 0.00 0.00 41.12 40.62 1u13 n ASP 69 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1u13 s LEU 70 N -7.82 4.23 0.07 0.64 1.43 -0.95 0.45 118.68 116.72 1u13 s LEU 70 Ca -0.30 -1.90 -0.28 0.00 -1.03 0.00 0.00 54.13 50.63 1u13 s LEU 70 Cb 0.08 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1u13 s LEU 70 CO 0.46 -0.32 0.87 -0.62 0.23 0.00 0.00 176.35 176.96 1u13 s ASP 71 N 1.00 7.35 -0.06 2.29 -1.08 0.56 -4.55 116.67 122.18 1u13 s ASP 71 Ca 0.05 1.61 0.17 0.00 -0.52 0.00 0.00 52.55 53.86 1u13 s ASP 71 Cb -0.19 -2.53 -0.22 0.00 -1.46 0.00 0.00 42.92 38.52 1u13 s ASP 71 CO -0.08 -0.05 0.48 1.67 0.52 0.00 0.00 175.17 177.71 1u13 n GLN 72 N 2.91 0.65 -0.30 4.34 7.27 -1.26 0.70 117.38 131.69 1u13 n GLN 72 Ca 0.00 0.10 -0.07 0.00 0.07 0.00 0.00 57.00 57.10 1u13 n GLN 72 Cb 0.50 -1.66 -0.03 0.00 2.41 0.00 0.00 30.24 31.46 1u13 n GLN 72 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1u13 h ALA 73 N 1.27 -0.23 -0.55 1.69 0.00 -1.92 -2.05 119.26 117.47 1u13 h ALA 73 Ca -0.30 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1u13 h ALA 73 Cb 1.83 1.05 0.00 0.00 0.00 0.00 0.00 17.79 20.67 1u13 h ALA 73 CO 0.04 -0.79 0.00 1.63 0.00 0.00 0.00 179.25 180.13 1u13 n LYS 74 N -5.40 3.98 0.11 0.00 4.76 -1.26 -4.39 118.16 115.95 1u13 n LYS 74 Ca 0.04 -2.70 0.13 0.00 -2.87 0.00 0.00 58.31 52.91 1u13 n LYS 74 Cb 0.35 -2.01 0.32 0.00 -1.84 0.00 0.00 35.03 31.85 1u13 n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u13 h ALA 75 N 3.90 0.89 -2.36 7.82 0.00 -1.61 -3.39 119.26 124.52 1u13 h ALA 75 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1u13 h ALA 75 Cb 1.58 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.96 1u13 h ALA 75 CO 0.33 0.00 -0.70 0.66 0.00 0.00 0.00 179.25 179.54 1u13 n TYR 76 N -2.31 2.58 0.05 0.00 4.01 -1.26 -4.83 117.16 115.39 1u13 n TYR 76 Ca 0.05 -4.03 0.17 0.00 -0.16 0.00 0.00 57.90 53.93 1u13 n TYR 76 Cb 0.44 -0.48 0.68 0.00 -0.31 0.00 0.00 39.34 39.67 1u13 n TYR 76 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1u13 h PRO 77 N 4.50 0.01 0.00 -0.72 0.13 -1.90 -2.17 132.00 131.85 1u13 h PRO 77 Ca 0.17 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1u13 h PRO 77 Cb 0.73 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1u13 h PRO 77 CO 0.72 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.46 1u13 n PHE 78 N -4.41 0.11 0.04 1.56 1.16 -1.26 -2.90 117.46 111.76 1u13 n PHE 78 Ca 0.07 0.05 -0.04 0.00 -1.87 0.00 0.00 57.45 55.66 1u13 n PHE 78 Cb 0.49 -0.58 -0.09 0.00 -1.61 0.00 0.00 39.48 37.70 1u13 n PHE 78 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 1u13 h MET 79 N 0.00 0.00 -0.24 3.97 2.86 -1.78 -3.39 114.93 116.36 1u13 h MET 79 Ca 0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1u13 h MET 79 Cb 0.21 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1u13 h MET 79 CO 0.00 0.53 -0.11 1.15 1.06 0.00 0.00 176.91 179.54 1u13 h THR 80 N 0.00 0.65 0.00 2.22 2.02 -1.70 -1.38 112.91 114.71 1u13 h THR 80 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1u13 h THR 80 Cb 1.71 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1u13 h THR 80 CO 0.08 0.00 0.00 -0.65 0.37 0.00 0.00 175.52 175.32 1u13 h PRO 81 N -0.08 0.00 0.07 6.66 0.11 -1.78 -1.38 132.00 135.61 1u13 h PRO 81 Ca 0.13 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.10 1u13 h PRO 81 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1u13 h PRO 81 CO -0.29 0.00 -0.62 0.82 -0.21 0.00 0.00 178.00 177.70 1u13 h ILE 82 N 0.00 1.50 -0.24 4.15 2.04 -1.47 -3.36 117.51 120.14 1u13 h ILE 82 Ca 0.00 -2.41 -0.19 0.00 1.00 0.00 0.00 64.86 63.26 1u13 h ILE 82 Cb 0.32 3.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1u13 h ILE 82 CO 0.00 0.64 -0.60 -0.26 0.00 0.00 0.00 178.15 177.93 1u13 h PHE 83 N -0.66 1.02 0.00 1.37 0.04 -1.27 -3.48 116.94 113.96 1u13 h PHE 83 Ca -0.13 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.26 1u13 h PHE 83 Cb 1.38 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1u13 h PHE 83 CO 0.21 1.20 0.00 0.41 -0.60 0.00 0.00 178.31 179.53 1u13 n GLY 84 N 0.42 2.31 7.00 -1.45 0.00 -0.53 -4.51 105.19 108.43 1u13 n GLY 84 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1u13 n GLY 84 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1u13 n ARG 95 N -2.00 0.00 0.01 1.61 0.00 -1.26 -4.98 116.66 110.04 1u13 n ARG 95 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1u13 n ARG 95 Cb 0.00 0.00 0.53 0.00 -0.00 0.00 0.00 32.46 32.99 1u13 n ARG 95 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1u13 n ARG 96 N 0.00 0.03 -0.01 2.89 -4.01 -1.26 -2.86 116.66 111.44 1u13 n ARG 96 Ca 0.00 0.09 -0.14 0.00 -1.04 0.00 0.00 57.85 56.76 1u13 n ARG 96 Cb 0.00 -1.54 -0.02 0.00 -3.04 0.00 0.00 32.46 27.86 1u13 n ARG 96 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 1u13 h LYS 97 N 0.00 0.68 0.61 2.89 3.64 -2.04 -2.26 116.57 120.09 1u13 h LYS 97 Ca 0.00 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1u13 h LYS 97 Cb 0.47 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1u13 h LYS 97 CO 0.00 1.13 -0.29 0.93 -2.27 0.00 0.00 179.45 178.94 1u13 h GLU 98 N 0.49 -0.79 -0.41 1.90 5.08 -1.96 -3.21 114.58 115.67 1u13 h GLU 98 Ca -0.02 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1u13 h GLU 98 Cb 1.28 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.64 1u13 h GLU 98 CO 0.13 -0.48 -0.47 0.52 -1.00 0.00 0.00 179.01 177.71 1u13 h MET 99 N -1.08 -0.28 -1.32 2.33 2.86 -1.60 0.32 114.93 116.17 1u13 h MET 99 Ca -0.08 0.02 0.43 0.00 -2.06 0.00 0.00 59.70 58.00 1u13 h MET 99 Cb 0.68 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.28 1u13 h MET 99 CO 0.14 -0.19 0.85 -0.07 1.06 0.00 0.00 176.91 178.70 1u13 h LEU 100 N -0.29 0.25 0.00 1.22 4.07 -1.48 -3.36 115.31 115.72 1u13 h LEU 100 Ca 0.07 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1u13 h LEU 100 Cb 0.48 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1u13 h LEU 100 CO -0.54 -0.16 -0.04 1.41 -1.08 0.00 0.00 178.44 178.03 1u13 n HIS 101 N -4.66 -0.03 0.00 1.13 8.25 -0.73 -4.75 115.22 114.42 1u13 n HIS 101 Ca 0.36 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1u13 n HIS 101 Cb 1.41 0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.53 1u13 n HIS 101 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1u13 n ASN 102 N -3.48 0.00 -0.29 0.41 5.15 0.11 -1.00 115.26 116.16 1u13 n ASN 102 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 1u13 n ASN 102 Cb 0.02 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.20 1u13 n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u13 n ALA 103 N -2.16 -0.44 0.33 5.20 0.00 -1.26 -0.41 120.51 121.77 1u13 n ALA 103 Ca 0.00 0.59 0.15 0.00 0.00 0.00 0.00 53.44 54.17 1u13 n ALA 103 Cb 0.00 -0.04 0.56 0.00 0.00 0.00 0.00 19.45 19.97 1u13 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u13 h ALA 104 N 0.23 1.00 -0.17 0.00 0.00 -1.41 -3.13 119.26 115.78 1u13 h ALA 104 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1u13 h ALA 104 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1u13 h ALA 104 CO -0.65 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.88 1u13 n LEU 105 N -2.78 1.59 -4.74 0.00 7.99 0.45 -4.77 117.00 114.74 1u13 n LEU 105 Ca 0.02 -0.67 -0.41 0.00 -0.01 0.00 0.00 56.01 54.93 1u13 n LEU 105 Cb 0.32 -0.11 -0.02 0.00 -0.11 0.00 0.00 43.42 43.49 1u13 n LEU 105 CO 0.26 0.34 1.11 -0.13 -1.51 0.00 0.00 177.39 177.45 1u13 s ARG 106 N -1.78 4.27 0.29 3.23 0.52 -1.11 -4.90 118.95 119.47 1u13 s ARG 106 Ca 0.31 2.28 0.03 0.00 -0.52 0.00 0.00 55.73 57.84 1u13 s ARG 106 Cb 0.17 -3.12 0.71 0.00 0.52 0.00 0.00 34.95 33.23 1u13 s ARG 106 CO 0.25 -0.43 1.70 0.78 0.02 0.00 0.00 175.30 177.62 1u13 h GLY 107 N 5.29 1.52 2.00 -3.53 0.00 -1.93 0.49 103.07 106.91 1u13 h GLY 107 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1u13 h GLY 107 CO 0.79 -0.25 0.00 -1.84 0.00 0.00 0.00 176.54 175.24 1u13 n GLU 108 N -5.04 0.03 -0.00 4.80 0.28 -1.26 -1.68 120.64 117.77 1u13 n GLU 108 Ca 0.22 0.45 0.09 0.00 -0.16 0.00 0.00 57.16 57.75 1u13 n GLU 108 Cb 0.64 -1.59 -0.12 0.00 1.43 0.00 0.00 31.44 31.80 1u13 n GLU 108 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1u13 n GLN 109 N -1.66 0.89 -0.24 3.44 1.13 0.15 -4.59 117.38 116.51 1u13 n GLN 109 Ca 0.01 -0.07 0.02 0.00 -1.94 0.00 0.00 57.00 55.01 1u13 n GLN 109 Cb 0.07 -1.38 0.14 0.00 0.11 0.00 0.00 30.24 29.18 1u13 n GLN 109 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 1u13 h MET 110 N 0.00 0.51 -0.14 -1.09 2.86 -1.23 -1.95 114.93 113.89 1u13 h MET 110 Ca 0.00 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1u13 h MET 110 Cb 0.60 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 1u13 h MET 110 CO 0.00 0.34 -0.15 -0.22 1.06 0.00 0.00 176.91 177.94 1u13 h LYS 111 N 0.52 -0.17 -0.76 1.72 3.64 -1.81 0.32 116.57 120.04 1u13 h LYS 111 Ca 0.35 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1u13 h LYS 111 Cb 0.43 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1u13 h LYS 111 CO -0.31 -0.11 0.44 0.78 -2.27 0.00 0.00 179.45 177.98 1u13 h GLY 112 N -0.17 1.11 1.33 5.01 0.00 -1.76 -2.02 103.07 106.56 1u13 h GLY 112 Ca 0.10 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1u13 h GLY 112 CO -0.24 0.45 -0.03 0.45 0.00 0.00 0.00 176.54 177.17 1u13 h HIS 113 N 1.05 0.87 -0.57 5.60 3.86 -0.59 -0.14 115.15 125.23 1u13 h HIS 113 Ca 0.27 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1u13 h HIS 113 Cb -0.02 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1u13 h HIS 113 CO 0.01 0.81 0.22 0.00 0.86 0.00 0.00 177.93 179.83 1u13 h ALA 114 N 1.22 0.74 -0.66 2.45 0.00 -0.37 0.23 119.26 122.86 1u13 h ALA 114 Ca 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1u13 h ALA 114 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1u13 h ALA 114 CO 0.02 0.36 0.18 0.00 0.00 0.00 0.00 179.25 179.81 1u13 h ALA 115 N 1.07 0.87 -0.46 0.00 0.00 -1.01 -1.04 119.26 118.69 1u13 h ALA 115 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1u13 h ALA 115 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u13 h ALA 115 CO -0.01 0.57 0.24 1.15 0.00 0.00 0.00 179.25 181.19 1u13 h THR 116 N 0.97 1.18 -0.57 0.00 2.02 -0.50 -1.78 112.91 114.22 1u13 h THR 116 Ca 0.21 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1u13 h THR 116 Cb 0.33 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1u13 h THR 116 CO -0.00 0.19 0.32 0.40 0.37 0.00 0.00 175.52 176.81 1u13 h ILE 117 N 0.61 1.18 -0.52 3.11 2.04 -0.26 -1.00 117.51 122.68 1u13 h ILE 117 Ca 0.16 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1u13 h ILE 117 Cb 0.09 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1u13 h ILE 117 CO -0.02 0.19 0.28 -0.08 0.00 0.00 0.00 178.15 178.52 1u13 h GLU 118 N 0.77 0.53 -0.75 2.37 4.81 -0.93 -0.98 114.58 120.40 1u13 h GLU 118 Ca 0.20 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1u13 h GLU 118 Cb 0.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1u13 h GLU 118 CO -0.03 0.35 0.29 0.22 -0.73 0.00 0.00 179.01 179.11 1u13 h ASP 119 N 0.54 1.02 -0.36 1.04 3.58 -0.89 -1.64 116.42 119.72 1u13 h ASP 119 Ca 0.22 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1u13 h ASP 119 Cb 0.10 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1u13 h ASP 119 CO -0.14 0.91 -0.11 1.56 -2.88 0.00 0.00 179.24 178.58 1u13 h GLN 120 N 1.08 0.80 -0.03 0.28 1.08 -0.58 -1.55 115.11 116.19 1u13 h GLN 120 Ca 0.25 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1u13 h GLN 120 Cb 0.21 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1u13 h GLN 120 CO -0.02 0.88 0.00 0.28 -0.95 0.00 0.00 178.83 179.02 1u13 h VAL 121 N 0.72 1.23 -0.75 -0.54 2.07 -0.90 -1.68 116.25 116.41 1u13 h VAL 121 Ca 0.12 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1u13 h VAL 121 Cb 0.60 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1u13 h VAL 121 CO 0.04 0.18 0.49 0.03 0.02 0.00 0.00 177.57 178.33 1u13 h ARG 122 N -0.23 0.83 -0.56 1.57 3.08 -1.18 -0.78 114.38 117.11 1u13 h ARG 122 Ca 0.01 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1u13 h ARG 122 Cb 0.29 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1u13 h ARG 122 CO 0.00 0.55 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.31 1u13 h ARG 123 N 0.86 1.03 -0.40 0.04 2.43 -1.14 -0.83 114.38 116.37 1u13 h ARG 123 Ca 0.31 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1u13 h ARG 123 Cb 0.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1u13 h ARG 123 CO -0.10 1.05 -0.02 0.52 -1.51 0.00 0.00 179.97 179.91 1u13 h MET 124 N 0.92 0.64 -0.46 0.20 2.86 -0.22 -2.90 114.93 115.97 1u13 h MET 124 Ca 0.15 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1u13 h MET 124 Cb 0.61 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1u13 h MET 124 CO 0.04 0.67 0.00 0.44 1.06 0.00 0.00 176.91 179.12 1u13 n ILE 125 N -4.24 0.60 -0.10 -1.22 -5.35 -0.56 -4.49 119.36 104.01 1u13 n ILE 125 Ca 0.02 -0.74 0.15 0.00 -0.27 0.00 0.00 62.75 61.91 1u13 n ILE 125 Cb 0.28 0.69 0.54 0.00 -1.74 0.00 0.00 39.64 39.41 1u13 n ILE 125 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u13 h ALA 126 N 4.33 2.16 -0.56 -1.28 0.00 -0.93 -2.35 119.26 120.63 1u13 h ALA 126 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u13 h ALA 126 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1u13 h ALA 126 CO 0.00 -0.33 0.00 -0.40 0.00 0.00 0.00 179.25 178.52 1u13 n ASP 127 N -4.45 4.09 0.12 0.00 5.75 -1.26 -4.57 116.55 116.22 1u13 n ASP 127 Ca 0.12 -2.31 0.01 0.00 -0.01 0.00 0.00 54.79 52.60 1u13 n ASP 127 Cb 0.49 -0.48 0.33 0.00 -1.03 0.00 0.00 41.12 40.44 1u13 n ASP 127 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 1u13 h TRP 128 N 3.42 0.23 -0.58 2.11 4.06 -1.72 -3.49 115.95 119.97 1u13 h TRP 128 Ca 0.00 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1u13 h TRP 128 Cb 1.19 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1u13 h TRP 128 CO 0.56 0.45 0.00 0.41 -3.56 0.00 0.00 178.44 176.30 1u13 n GLY 129 N -0.61 -0.56 0.27 1.49 0.00 -1.26 -4.08 105.19 100.45 1u13 n GLY 129 Ca -0.01 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1u13 n GLY 129 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1u13 h GLU 130 N 0.00 0.93 -2.62 1.61 4.81 -1.97 -3.43 114.58 113.91 1u13 h GLU 130 Ca 0.00 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1u13 h GLU 130 Cb 0.00 -0.11 -0.16 0.00 0.63 0.00 0.00 28.75 29.11 1u13 h GLU 130 CO 0.00 0.88 0.14 0.00 -0.73 0.00 0.00 179.01 179.30 1u13 s ALA 131 N -5.25 -1.55 0.00 2.92 0.00 -1.26 -1.12 121.76 115.51 1u13 s ALA 131 Ca -0.12 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1u13 s ALA 131 Cb 0.13 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1u13 s ALA 131 CO 0.82 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1u13 n GLY 132 N 0.28 0.91 3.05 0.00 0.00 -0.93 -5.01 105.19 103.49 1u13 n GLY 132 Ca -0.18 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1u13 n GLY 132 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u13 s GLU 133 N 1.17 0.22 0.25 1.61 2.12 -1.26 -1.62 118.70 121.19 1u13 s GLU 133 Ca 0.00 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.52 1u13 s GLU 133 Cb 0.00 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 1u13 s GLU 133 CO 0.00 -0.03 0.03 0.96 -0.54 0.00 0.00 175.26 175.68 1u13 s ILE 134 N -0.08 0.93 -0.20 -3.70 -4.36 0.00 -4.96 121.20 108.83 1u13 s ILE 134 Ca -0.02 -2.02 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 1u13 s ILE 134 Cb -0.02 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.18 1u13 s ILE 134 CO 0.00 -0.18 -0.08 -0.62 0.24 0.00 0.00 174.94 174.30 1u13 s ASP 135 N -3.34 4.08 0.26 4.36 -1.08 -1.26 -0.89 116.67 118.80 1u13 s ASP 135 Ca 0.32 -0.42 -0.02 0.00 -0.52 0.00 0.00 52.55 51.91 1u13 s ASP 135 Cb 0.07 -1.68 0.52 0.00 -1.46 0.00 0.00 42.92 40.36 1u13 s ASP 135 CO 0.11 0.01 1.75 -0.07 0.52 0.00 0.00 175.17 177.49 1u13 h LEU 136 N 7.91 0.46 -0.08 -1.34 3.38 -1.63 0.12 115.31 124.12 1u13 h LEU 136 Ca -0.40 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1u13 h LEU 136 Cb 1.16 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1u13 h LEU 136 CO 0.60 0.19 0.02 0.25 0.09 0.00 0.00 178.44 179.59 1u13 h LEU 137 N 0.57 0.13 -0.61 1.67 5.85 -1.91 0.04 115.31 121.05 1u13 h LEU 137 Ca 0.45 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1u13 h LEU 137 Cb 0.65 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1u13 h LEU 137 CO -0.37 0.33 0.40 0.44 -0.34 0.00 0.00 178.44 178.89 1u13 h ASP 138 N -0.07 0.68 0.62 1.25 3.32 -1.84 -0.91 116.42 119.47 1u13 h ASP 138 Ca 0.03 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1u13 h ASP 138 Cb 0.25 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.64 1u13 h ASP 138 CO 0.00 0.49 -0.30 0.15 -1.72 0.00 0.00 179.24 177.86 1u13 h PHE 139 N 0.80 -0.78 0.00 4.55 3.57 -0.86 -2.91 116.94 121.31 1u13 h PHE 139 Ca 0.23 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1u13 h PHE 139 Cb -0.07 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1u13 h PHE 139 CO -0.04 -0.48 -0.33 0.74 -2.23 0.00 0.00 178.31 175.97 1u13 h PHE 140 N -1.11 0.00 -0.16 0.41 0.04 -1.04 0.18 116.94 115.25 1u13 h PHE 140 Ca -0.09 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 1u13 h PHE 140 Cb 0.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1u13 h PHE 140 CO 0.02 0.33 -0.07 0.00 -0.60 0.00 0.00 178.31 177.99 1u13 h ALA 141 N 1.67 0.23 -0.22 2.45 0.00 -1.27 -1.74 119.26 120.38 1u13 h ALA 141 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1u13 h ALA 141 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1u13 h ALA 141 CO 0.04 0.02 -0.03 1.49 0.00 0.00 0.00 179.25 180.77 1u13 h GLU 142 N 0.02 0.40 -0.16 0.00 4.81 -1.31 -2.82 114.58 115.52 1u13 h GLU 142 Ca 0.04 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1u13 h GLU 142 Cb 0.53 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1u13 h GLU 142 CO 0.02 0.63 -0.15 1.25 -0.73 0.00 0.00 179.01 180.03 1u13 h LEU 143 N 0.14 -0.47 -0.90 1.64 5.85 -0.97 -1.71 115.31 118.90 1u13 h LEU 143 Ca 0.06 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1u13 h LEU 143 Cb 0.47 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1u13 h LEU 143 CO 0.02 -0.19 0.00 0.35 -0.34 0.00 0.00 178.44 178.27 1u13 n THR 144 N -5.30 0.89 0.05 1.05 -2.24 -0.66 -0.95 114.28 107.12 1u13 n THR 144 Ca -0.02 0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.96 1u13 n THR 144 Cb 0.22 -1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 67.07 1u13 n THR 144 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1u13 h ILE 145 N 0.00 1.34 -0.19 2.28 1.08 -1.05 -1.45 117.51 119.52 1u13 h ILE 145 Ca 0.00 -2.29 -0.21 0.00 -0.39 0.00 0.00 64.86 61.96 1u13 h ILE 145 Cb 0.27 2.33 0.01 0.00 -3.07 0.00 0.00 36.82 36.35 1u13 h ILE 145 CO 0.00 0.70 -0.72 1.88 -0.69 0.00 0.00 178.15 179.32 1u13 h TYR 146 N 0.33 1.07 -0.30 1.37 0.05 -0.72 -1.63 116.97 117.15 1u13 h TYR 146 Ca -0.09 -0.45 -0.09 0.00 0.05 0.00 0.00 58.73 58.16 1u13 h TYR 146 Cb 1.58 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 39.14 1u13 h TYR 146 CO 0.08 1.28 -0.15 1.79 -1.05 0.00 0.00 178.16 180.11 1u13 h THR 147 N 0.57 1.29 -0.25 -2.88 1.35 -1.08 -1.53 112.91 110.38 1u13 h THR 147 Ca -0.03 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 1u13 h THR 147 Cb 1.34 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1u13 h THR 147 CO 0.15 0.40 0.12 0.28 -0.25 0.00 0.00 175.52 176.22 1u13 h SER 148 N 0.38 0.33 -0.45 5.36 0.02 -1.29 -1.70 113.55 116.19 1u13 h SER 148 Ca 0.07 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1u13 h SER 148 Cb 0.68 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1u13 h SER 148 CO 0.04 0.37 -0.23 0.77 -1.14 0.00 0.00 176.83 176.65 1u13 h SER 149 N 0.27 1.00 -0.20 3.07 4.64 -1.32 -0.81 113.55 120.21 1u13 h SER 149 Ca 0.09 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1u13 h SER 149 Cb 0.13 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1u13 h SER 149 CO -0.01 1.18 0.05 0.00 -0.87 0.00 0.00 176.83 177.18 1u13 h ALA 150 N 0.89 0.26 0.10 5.18 0.00 -1.21 -0.09 119.26 124.39 1u13 h ALA 150 Ca 0.11 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 1u13 h ALA 150 Cb 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1u13 h ALA 150 CO 0.07 -0.11 -1.17 1.79 0.00 0.00 0.00 179.25 179.83 1u13 h THR 151 N 0.14 1.49 0.00 0.00 1.35 -1.33 -2.74 112.91 111.82 1u13 h THR 151 Ca 0.06 -2.94 -0.29 0.00 -0.55 0.00 0.00 66.41 62.69 1u13 h THR 151 Cb 0.25 2.84 -0.05 0.00 -1.73 0.00 0.00 68.15 69.46 1u13 h THR 151 CO -0.00 0.86 -1.82 0.18 -0.25 0.00 0.00 175.52 174.49 1u13 n LEU 152 N -3.57 0.69 -0.07 3.87 4.77 -0.31 -4.65 117.00 117.72 1u13 n LEU 152 Ca -0.08 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1u13 n LEU 152 Cb 0.98 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 42.24 1u13 n LEU 152 CO 0.53 0.38 -0.99 -0.38 -1.33 0.00 0.00 177.39 175.60 1u13 n ILE 153 N -2.96 0.82 0.00 -0.08 5.41 -0.28 -4.97 119.36 117.30 1u13 n ILE 153 Ca -0.19 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.29 1u13 n ILE 153 Cb 1.05 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 1u13 n ILE 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u13 n GLY 154 N 2.48 4.42 0.31 7.39 0.00 -0.20 -2.70 105.19 116.89 1u13 n GLY 154 Ca -0.27 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 1u13 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u13 h LYS 155 N 0.00 1.06 -0.22 1.61 1.57 -1.79 -2.10 116.57 116.71 1u13 h LYS 155 Ca 0.00 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1u13 h LYS 155 Cb 0.00 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.07 1u13 h LYS 155 CO 0.00 0.83 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.40 1u13 h LYS 156 N 1.04 -0.06 -0.58 3.15 3.64 -1.92 -0.16 116.57 121.68 1u13 h LYS 156 Ca 0.26 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1u13 h LYS 156 Cb 0.11 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1u13 h LYS 156 CO -0.03 -0.04 0.37 0.35 -2.27 0.00 0.00 179.45 177.83 1u13 h PHE 157 N -0.06 0.69 -0.71 1.91 3.57 -1.85 -2.19 116.94 118.30 1u13 h PHE 157 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1u13 h PHE 157 Cb 0.23 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1u13 h PHE 157 CO -0.26 0.41 0.36 -0.09 -2.23 0.00 0.00 178.31 176.50 1u13 h ARG 158 N 0.74 1.00 0.00 1.11 1.12 -0.73 -1.64 114.38 115.97 1u13 h ARG 158 Ca 0.23 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1u13 h ARG 158 Cb -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.75 1u13 h ARG 158 CO -0.08 0.76 0.00 -0.25 -3.11 0.00 0.00 179.97 177.29 1u13 n ASP 159 N -4.34 0.49 -1.22 -3.80 8.00 -0.13 -0.84 116.55 114.71 1u13 n ASP 159 Ca 0.07 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.36 1u13 n ASP 159 Cb 0.12 -0.76 0.26 0.00 -0.02 0.00 0.00 41.12 40.72 1u13 n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u13 n GLN 160 N -2.10 2.59 -4.16 -1.24 6.02 -0.62 -4.92 117.38 112.95 1u13 n GLN 160 Ca 0.00 -2.43 -0.31 0.00 -0.01 0.00 0.00 57.00 54.25 1u13 n GLN 160 Cb 0.12 -1.53 -0.08 0.00 1.02 0.00 0.00 30.24 29.77 1u13 n GLN 160 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u13 s LEU 161 N -1.26 3.55 0.00 1.08 1.43 -0.02 -5.04 118.68 118.43 1u13 s LEU 161 Ca 0.42 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1u13 s LEU 161 Cb 0.23 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1u13 s LEU 161 CO 0.32 0.21 0.00 -0.90 0.23 0.00 0.00 176.35 176.20 1u13 n ASP 162 N 0.79 0.56 0.33 2.29 5.68 -1.26 -5.01 116.55 119.93 1u13 n ASP 162 Ca -0.11 -0.83 0.18 0.00 -0.50 0.00 0.00 54.79 53.53 1u13 n ASP 162 Cb 0.52 0.00 0.98 0.00 -1.14 0.00 0.00 41.12 41.48 1u13 n ASP 162 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1u13 h GLY 163 N 0.00 0.00 0.95 6.12 0.00 -2.00 -2.72 103.07 105.43 1u13 h GLY 163 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1u13 h GLY 163 CO 0.00 0.00 0.14 3.21 0.00 0.00 0.00 176.54 179.89 1u13 h ARG 164 N 0.00 0.69 -0.78 4.80 3.08 -2.00 -1.96 114.38 118.21 1u13 h ARG 164 Ca 0.00 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.93 1u13 h ARG 164 Cb 0.34 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1u13 h ARG 164 CO 0.00 0.67 0.50 0.35 -1.07 0.00 0.00 179.97 180.42 1u13 h PHE 165 N 0.57 0.94 0.06 3.04 3.04 -1.89 -1.59 116.94 121.11 1u13 h PHE 165 Ca 0.14 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1u13 h PHE 165 Cb 0.27 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.46 1u13 h PHE 165 CO 0.01 0.55 -0.03 0.00 -2.02 0.00 0.00 178.31 176.82 1u13 h ALA 166 N 1.32 -0.08 -0.77 2.41 0.00 -1.62 -0.09 119.26 120.43 1u13 h ALA 166 Ca 0.31 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1u13 h ALA 166 Cb -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1u13 h ALA 166 CO -0.10 -0.52 0.44 0.87 0.00 0.00 0.00 179.25 179.94 1u13 h LYS 167 N -0.13 0.76 -0.24 0.00 1.79 -1.02 -1.04 116.57 116.69 1u13 h LYS 167 Ca -0.01 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.25 1u13 h LYS 167 Cb 0.11 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1u13 h LYS 167 CO 0.01 0.50 -0.53 -0.07 -1.08 0.00 0.00 179.45 178.29 1u13 h LEU 168 N 0.79 0.77 -0.95 2.94 3.38 -1.09 -2.70 115.31 118.44 1u13 h LEU 168 Ca 0.35 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1u13 h LEU 168 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1u13 h LEU 168 CO -0.20 1.15 0.16 0.22 0.09 0.00 0.00 178.44 179.85 1u13 h TYR 169 N 0.54 0.95 -0.70 1.13 3.20 -0.47 -1.99 116.97 119.64 1u13 h TYR 169 Ca 0.02 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 1u13 h TYR 169 Cb 1.10 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1u13 h TYR 169 CO 0.06 0.78 0.33 1.25 -1.64 0.00 0.00 178.16 178.94 1u13 h HIS 170 N 0.89 0.99 -0.30 -3.82 2.76 -1.07 -1.47 115.15 113.13 1u13 h HIS 170 Ca 0.19 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1u13 h HIS 170 Cb 0.30 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1u13 h HIS 170 CO 0.02 0.72 -0.02 0.93 -1.30 0.00 0.00 177.93 178.28 1u13 h GLU 171 N 0.99 0.46 -0.19 5.26 4.39 -1.05 -1.05 114.58 123.38 1u13 h GLU 171 Ca 0.24 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1u13 h GLU 171 Cb 0.11 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1u13 h GLU 171 CO -0.03 0.51 0.07 -0.07 -1.16 0.00 0.00 179.01 178.33 1u13 h LEU 172 N 0.44 0.27 -1.28 1.33 3.38 -0.73 -2.72 115.31 116.01 1u13 h LEU 172 Ca 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1u13 h LEU 172 Cb 0.33 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1u13 h LEU 172 CO 0.01 0.37 0.22 -0.33 0.09 0.00 0.00 178.44 178.80 1u13 h GLU 173 N 0.15 0.72 0.00 1.13 5.08 -0.84 -1.33 114.58 119.48 1u13 h GLU 173 Ca 0.06 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1u13 h GLU 173 Cb 0.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1u13 h GLU 173 CO -0.00 0.58 0.00 0.54 -1.00 0.00 0.00 179.01 179.12 1u13 n ARG 174 N -4.36 0.03 -0.45 2.33 1.74 -0.45 -3.26 116.66 112.24 1u13 n ARG 174 Ca 0.04 0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1u13 n ARG 174 Cb 0.14 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 1u13 n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u13 n GLY 175 N 0.70 2.87 2.21 -0.13 0.00 -0.50 -4.28 105.19 106.06 1u13 n GLY 175 Ca 0.06 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1u13 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u13 n THR 176 N -0.09 2.78 -1.88 2.61 -2.24 -1.20 -4.82 114.28 109.44 1u13 n THR 176 Ca 0.22 -4.09 -0.40 0.00 -2.27 0.00 0.00 64.05 57.50 1u13 n THR 176 Cb 0.92 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1u13 n THR 176 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u13 s ASP 177 N -3.09 6.27 0.45 3.42 -1.08 -1.26 -0.24 116.67 121.14 1u13 s ASP 177 Ca 0.53 2.91 0.20 0.00 -0.52 0.00 0.00 52.55 55.67 1u13 s ASP 177 Cb 0.43 -2.66 1.09 0.00 -1.46 0.00 0.00 42.92 40.32 1u13 s ASP 177 CO -0.04 -0.90 1.56 -0.65 0.52 0.00 0.00 175.17 175.66 1u13 h PRO 178 N 2.83 0.00 0.00 4.34 0.11 -1.93 0.96 132.00 138.30 1u13 h PRO 178 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u13 h PRO 178 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1u13 h PRO 178 CO 0.63 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.35 1u13 h LEU 179 N 0.00 0.00 -2.24 2.35 3.38 -1.93 0.95 115.31 117.82 1u13 h LEU 179 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1u13 h LEU 179 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1u13 h LEU 179 CO 0.00 0.00 0.03 0.00 0.09 0.00 0.00 178.44 178.56 1u13 h ALA 180 N 2.00 1.78 0.00 1.53 0.00 -0.99 0.32 119.26 123.90 1u13 h ALA 180 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u13 h ALA 180 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u13 h ALA 180 CO 0.00 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.87 1u13 n TYR 181 N -4.16 0.09 -0.09 0.00 4.02 0.33 -2.64 117.16 114.70 1u13 n TYR 181 Ca -0.02 0.03 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 1u13 n TYR 181 Cb 0.12 -0.55 -0.06 0.00 -0.02 0.00 0.00 39.34 38.83 1u13 n TYR 181 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1u13 n VAL 182 N -1.58 1.48 -3.44 -0.72 0.31 0.10 -4.78 118.33 109.71 1u13 n VAL 182 Ca 0.04 0.04 0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1u13 n VAL 182 Cb 0.20 -2.21 -0.04 0.00 -0.91 0.00 0.00 33.84 30.88 1u13 n VAL 182 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1u13 s ASP 183 N -6.35 -0.68 0.00 4.52 -1.08 -0.60 -5.04 116.67 107.44 1u13 s ASP 183 Ca -0.25 0.92 0.10 0.00 -0.52 0.00 0.00 52.55 52.80 1u13 s ASP 183 Cb 0.06 1.77 0.52 0.00 -1.46 0.00 0.00 42.92 43.80 1u13 s ASP 183 CO 0.40 -0.13 1.24 -0.81 0.52 0.00 0.00 175.17 176.40 1u13 n PRO 184 N 5.07 0.13 -0.31 4.34 -0.04 -1.14 -2.68 135.00 140.36 1u13 n PRO 184 Ca -0.09 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1u13 n PRO 184 Cb 0.52 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.69 1u13 n PRO 184 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u13 n TYR 185 N -1.31 0.60 -1.80 0.54 4.02 -1.26 -4.97 117.16 112.98 1u13 n TYR 185 Ca 0.05 -0.91 -0.40 0.00 -0.01 0.00 0.00 57.90 56.63 1u13 n TYR 185 Cb 0.09 -0.25 0.02 0.00 -0.02 0.00 0.00 39.34 39.18 1u13 n TYR 185 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1u13 s LEU 186 N -2.79 4.10 -0.10 7.72 1.43 -1.09 -4.83 118.68 123.12 1u13 s LEU 186 Ca 0.38 2.92 -0.03 0.00 -1.03 0.00 0.00 54.13 56.36 1u13 s LEU 186 Cb 0.31 -3.95 -0.13 0.00 0.03 0.00 0.00 46.19 42.45 1u13 s LEU 186 CO 0.07 -1.20 2.12 -0.81 0.23 0.00 0.00 176.35 176.77 1u13 n PRO 187 N -0.23 1.15 -3.96 1.29 -0.04 -1.26 -4.75 135.00 127.19 1u13 n PRO 187 Ca 0.05 -0.62 -0.28 0.00 -0.04 0.00 0.00 63.50 62.61 1u13 n PRO 187 Cb 0.42 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1u13 n PRO 187 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u13 s ILE 188 N 2.13 5.19 0.24 0.52 -4.36 -1.26 -4.99 121.20 118.67 1u13 s ILE 188 Ca 0.35 -0.64 -0.05 0.00 -0.26 0.00 0.00 60.65 60.06 1u13 s ILE 188 Cb 0.16 -3.61 0.21 0.00 1.25 0.00 0.00 42.46 40.47 1u13 s ILE 188 CO -0.00 0.00 1.74 -0.08 0.24 0.00 0.00 174.94 176.84 1u13 h GLU 189 N 2.58 0.45 -0.34 0.37 4.57 -1.99 -1.12 114.58 119.10 1u13 h GLU 189 Ca -0.47 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.63 1u13 h GLU 189 Cb 1.18 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1u13 h GLU 189 CO 0.70 0.30 -0.01 0.66 -1.18 0.00 0.00 179.01 179.48 1u13 h SER 190 N 0.46 0.51 0.39 1.04 4.64 -1.95 0.54 113.55 119.18 1u13 h SER 190 Ca 0.40 -0.10 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 1u13 h SER 190 Cb 0.58 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1u13 h SER 190 CO -0.38 0.58 -0.73 -0.26 -0.87 0.00 0.00 176.83 175.17 1u13 h PHE 191 N 0.51 0.39 0.00 4.77 0.04 -1.65 -1.37 116.94 119.63 1u13 h PHE 191 Ca 0.11 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1u13 h PHE 191 Cb 0.35 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1u13 h PHE 191 CO 0.01 0.92 -0.00 -0.09 -0.60 0.00 0.00 178.31 178.55 1u13 h ARG 192 N 0.19 -0.00 -0.11 1.51 2.43 -0.68 -1.89 114.38 115.83 1u13 h ARG 192 Ca -0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1u13 h ARG 192 Cb 1.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1u13 h ARG 192 CO 0.12 0.35 0.02 0.00 -1.51 0.00 0.00 179.97 178.94 1u13 h ARG 193 N -0.35 0.15 0.30 0.20 3.08 -0.90 -0.64 114.38 116.23 1u13 h ARG 193 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1u13 h ARG 193 Cb 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1u13 h ARG 193 CO 0.00 0.16 -0.15 -0.09 -1.07 0.00 0.00 179.97 178.82 1u13 h ARG 194 N 0.15 -0.39 -0.90 0.04 2.43 -1.03 -0.51 114.38 114.18 1u13 h ARG 194 Ca 0.04 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1u13 h ARG 194 Cb 0.08 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1u13 h ARG 194 CO -0.00 -0.13 0.53 -0.44 -1.51 0.00 0.00 179.97 178.42 1u13 h ASP 195 N -0.62 1.09 -0.72 -3.80 3.32 -0.79 -1.46 116.42 113.44 1u13 h ASP 195 Ca -0.04 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 1u13 h ASP 195 Cb 0.44 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1u13 h ASP 195 CO 0.07 0.84 0.17 -0.33 -1.72 0.00 0.00 179.24 178.27 1u13 h GLU 196 N 1.24 1.15 -0.43 3.56 4.39 -1.09 -2.17 114.58 121.21 1u13 h GLU 196 Ca 0.32 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1u13 h GLU 196 Cb -0.03 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1u13 h GLU 196 CO -0.06 1.01 -0.13 0.00 -1.16 0.00 0.00 179.01 178.68 1u13 h ALA 197 N 1.09 0.96 -0.48 3.43 0.00 -0.63 -1.42 119.26 122.22 1u13 h ALA 197 Ca 0.22 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1u13 h ALA 197 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1u13 h ALA 197 CO 0.00 0.61 -0.05 -0.09 0.00 0.00 0.00 179.25 179.73 1u13 h ARG 198 N 0.71 0.83 -0.33 0.00 2.43 -1.01 -0.33 114.38 116.67 1u13 h ARG 198 Ca 0.12 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1u13 h ARG 198 Cb 0.62 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1u13 h ARG 198 CO 0.04 0.86 -0.16 -0.91 -1.51 0.00 0.00 179.97 178.29 1u13 h ASN 199 N 0.76 0.59 -0.67 -3.80 2.35 -1.10 -1.30 115.58 112.41 1u13 h ASN 199 Ca 0.14 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1u13 h ASN 199 Cb 0.53 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1u13 h ASN 199 CO 0.03 0.77 0.23 1.23 -1.65 0.00 0.00 177.43 178.04 1u13 h GLY 200 N 0.98 1.10 0.99 2.83 0.00 -0.46 -1.56 103.07 106.95 1u13 h GLY 200 Ca 0.09 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1u13 h GLY 200 CO 0.04 0.60 0.09 1.41 0.00 0.00 0.00 176.54 178.68 1u13 h LEU 201 N 0.96 0.80 -1.13 3.11 3.38 -0.66 -1.35 115.31 120.41 1u13 h LEU 201 Ca 0.22 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1u13 h LEU 201 Cb 0.27 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1u13 h LEU 201 CO -0.01 0.85 0.59 0.58 0.09 0.00 0.00 178.44 180.53 1u13 h VAL 202 N 0.71 1.15 -0.49 1.22 2.07 -1.00 -1.59 116.25 118.33 1u13 h VAL 202 Ca 0.16 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1u13 h VAL 202 Cb 0.38 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1u13 h VAL 202 CO 0.01 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 177.76 1u13 h ALA 203 N 1.47 0.66 -0.92 1.67 0.00 -0.80 -0.58 119.26 120.77 1u13 h ALA 203 Ca 0.36 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u13 h ALA 203 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1u13 h ALA 203 CO -0.11 0.50 0.56 -0.07 0.00 0.00 0.00 179.25 180.13 1u13 h LEU 204 N 0.74 1.10 -0.23 0.00 3.38 -0.60 -0.57 115.31 119.13 1u13 h LEU 204 Ca 0.13 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1u13 h LEU 204 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u13 h LEU 204 CO 0.03 0.84 -0.11 0.58 0.09 0.00 0.00 178.44 179.87 1u13 h VAL 205 N 1.26 1.30 -0.78 1.22 2.07 -1.07 -2.32 116.25 117.94 1u13 h VAL 205 Ca 0.33 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.72 1u13 h VAL 205 Cb -0.06 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1u13 h VAL 205 CO -0.06 0.36 0.48 0.00 0.02 0.00 0.00 177.57 178.37 1u13 h ALA 206 N 0.72 1.03 -0.87 1.67 0.00 -0.76 0.64 119.26 121.68 1u13 h ALA 206 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1u13 h ALA 206 Cb 0.60 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1u13 h ALA 206 CO 0.03 0.25 0.49 -0.44 0.00 0.00 0.00 179.25 179.59 1u13 h ASP 207 N 0.91 1.08 -0.44 0.00 3.32 -1.02 -0.56 116.42 119.72 1u13 h ASP 207 Ca 0.32 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 1u13 h ASP 207 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1u13 h ASP 207 CO -0.14 0.86 -0.17 0.40 -1.72 0.00 0.00 179.24 178.48 1u13 h ILE 208 N 1.22 1.27 -0.24 0.35 2.04 -0.76 -1.76 117.51 119.63 1u13 h ILE 208 Ca 0.31 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1u13 h ILE 208 Cb 0.01 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1u13 h ILE 208 CO -0.05 0.44 0.15 0.24 0.00 0.00 0.00 178.15 178.93 1u13 h MET 209 N 0.71 0.29 -0.43 2.37 2.86 -0.52 -1.52 114.93 118.69 1u13 h MET 209 Ca 0.10 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1u13 h MET 209 Cb 0.72 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1u13 h MET 209 CO 0.06 0.19 0.27 -0.91 1.06 0.00 0.00 176.91 177.58 1u13 h ASN 210 N 0.30 0.52 -0.91 1.22 2.35 -1.03 -2.06 115.58 115.97 1u13 h ASN 210 Ca 0.09 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1u13 h ASN 210 Cb -0.02 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 1u13 h ASN 210 CO -0.03 0.41 0.60 1.23 -1.65 0.00 0.00 177.43 177.98 1u13 h GLY 211 N 0.58 1.30 2.00 2.83 0.00 -1.07 -0.85 103.07 107.87 1u13 h GLY 211 Ca 0.16 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1u13 h GLY 211 CO -0.03 0.39 -0.36 3.21 0.00 0.00 0.00 176.54 179.75 1u13 h ARG 212 N 1.14 0.00 0.07 4.80 3.08 -0.85 -2.29 114.38 120.33 1u13 h ARG 212 Ca 0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1u13 h ARG 212 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1u13 h ARG 212 CO -0.11 0.36 -0.03 0.82 -1.07 0.00 0.00 179.97 179.95 1u13 h ILE 213 N 0.00 1.12 -0.28 2.04 1.08 -0.48 -2.87 117.51 118.12 1u13 h ILE 213 Ca -0.00 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1u13 h ILE 213 Cb 0.72 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1u13 h ILE 213 CO 0.05 0.16 0.13 0.00 -0.69 0.00 0.00 178.15 177.80 1u13 h ALA 214 N 0.53 0.36 -2.77 1.87 0.00 -1.33 -3.38 119.26 114.54 1u13 h ALA 214 Ca -0.01 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 54.20 1u13 h ALA 214 Cb 0.33 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 1u13 h ALA 214 CO 0.02 -0.08 -0.79 1.21 0.00 0.00 0.00 179.25 179.61 1u13 s ASN 215 N -5.64 3.13 0.80 0.00 3.04 -0.87 -5.13 114.94 110.27 1u13 s ASN 215 Ca -0.13 -2.94 -0.13 0.00 0.04 0.00 0.00 52.86 49.70 1u13 s ASN 215 Cb 0.09 -0.89 0.08 0.00 -1.54 0.00 0.00 41.25 38.98 1u13 s ASN 215 CO 0.72 -0.21 1.19 -2.84 -3.04 0.00 0.00 177.10 172.92 1u13 s PRO 216 N 0.01 1.71 -0.54 0.43 0.02 -1.09 -4.68 135.00 130.87 1u13 s PRO 216 Ca 0.24 1.67 -0.06 0.00 0.02 0.00 0.00 61.00 62.87 1u13 s PRO 216 Cb -0.12 -1.79 -0.17 0.00 0.02 0.00 0.00 34.50 32.44 1u13 s PRO 216 CO -0.09 -2.14 1.63 -0.40 -0.33 0.00 0.00 177.00 175.67 1u13 n ASP 222 N -3.32 -1.47 -3.06 2.53 3.85 -1.26 -5.13 116.55 108.69 1u13 n ASP 222 Ca 0.13 -1.06 -0.32 0.00 -0.71 0.00 0.00 54.79 52.82 1u13 n ASP 222 Cb 0.51 -0.66 -0.01 0.00 -1.35 0.00 0.00 41.12 39.61 1u13 n ASP 222 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1u13 n ARG 223 N 5.28 0.00 -1.93 0.11 1.74 -1.26 -4.68 116.66 115.92 1u13 n ARG 223 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1u13 n ARG 223 Cb 0.33 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 1u13 n ARG 223 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1u13 n ASP 224 N 1.48 1.23 -0.03 0.55 5.68 -1.26 -5.01 116.55 119.19 1u13 n ASP 224 Ca 0.11 -0.97 0.03 0.00 -0.50 0.00 0.00 54.79 53.46 1u13 n ASP 224 Cb 0.21 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.57 1u13 n ASP 224 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1u13 h MET 225 N 0.00 0.61 -0.59 0.11 1.85 -1.89 -2.38 114.93 112.64 1u13 h MET 225 Ca 0.00 -0.05 -0.10 0.00 -0.61 0.00 0.00 59.70 58.94 1u13 h MET 225 Cb 0.00 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 1u13 h MET 225 CO 0.00 0.44 -0.02 1.25 -0.40 0.00 0.00 176.91 178.17 1u13 h LEU 226 N 0.62 1.04 -1.45 3.39 5.85 -1.97 -1.82 115.31 120.98 1u13 h LEU 226 Ca 0.16 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1u13 h LEU 226 Cb -0.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1u13 h LEU 226 CO -0.03 1.10 0.23 0.44 -0.34 0.00 0.00 178.44 179.84 1u13 h ASP 227 N 0.96 0.53 0.33 1.25 3.32 -1.83 0.28 116.42 121.27 1u13 h ASP 227 Ca 0.17 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1u13 h ASP 227 Cb 0.58 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1u13 h ASP 227 CO 0.03 0.44 -0.16 0.58 -1.72 0.00 0.00 179.24 178.42 1u13 h VAL 228 N 0.61 0.63 -0.32 -1.35 2.07 -1.20 -2.64 116.25 114.05 1u13 h VAL 228 Ca 0.16 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1u13 h VAL 228 Cb 0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1u13 h VAL 228 CO -0.02 0.11 0.13 -0.07 0.02 0.00 0.00 177.57 177.73 1u13 h LEU 229 N -0.81 0.40 -0.65 2.57 3.38 -1.14 -2.67 115.31 116.40 1u13 h LEU 229 Ca -0.05 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1u13 h LEU 229 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1u13 h LEU 229 CO 0.08 0.37 -0.19 0.40 0.09 0.00 0.00 178.44 179.19 1u13 h ILE 230 N 0.45 1.27 0.00 1.22 2.04 -0.94 -3.01 117.51 118.53 1u13 h ILE 230 Ca 0.11 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1u13 h ILE 230 Cb 0.10 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1u13 h ILE 230 CO -0.01 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.58 1u13 n ALA 231 N -2.50 1.96 -2.01 1.87 0.00 -1.00 -4.75 120.51 114.08 1u13 n ALA 231 Ca 0.01 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1u13 n ALA 231 Cb 0.42 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1u13 n ALA 231 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u13 s VAL 232 N -3.21 3.48 0.14 0.00 1.01 -1.14 -4.98 120.40 115.70 1u13 s VAL 232 Ca 0.07 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1u13 s VAL 232 Cb 0.11 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1u13 s VAL 232 CO 0.49 -0.45 0.29 -0.54 0.00 0.00 0.00 175.10 174.89 1u13 s LYS 233 N 5.73 3.45 0.00 2.72 -0.14 -1.26 -1.12 119.74 129.13 1u13 s LYS 233 Ca 0.78 -0.53 0.00 0.00 -1.36 0.00 0.00 55.97 54.87 1u13 s LYS 233 Cb -0.21 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 1u13 s LYS 233 CO 0.33 0.51 0.00 0.00 -0.76 0.00 0.00 175.35 175.43 1u13 n ALA 234 N -0.43 0.00 0.00 5.17 0.00 -0.68 -4.72 120.51 119.85 1u13 n ALA 234 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1u13 n ALA 234 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1u13 n ALA 234 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u13 n GLU 235 N 0.00 0.00 0.00 0.00 4.71 -1.26 -4.81 120.64 119.28 1u13 n GLU 235 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.27 1u13 n GLU 235 Cb 0.00 -0.29 0.63 0.00 -1.01 0.00 0.00 31.44 30.78 1u13 n GLU 235 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1u13 n THR 236 N -1.79 0.18 0.00 2.62 -2.24 -1.26 -4.82 114.28 106.96 1u13 n THR 236 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1u13 n THR 236 Cb 0.00 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1u13 n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u13 n GLY 237 N 0.63 1.26 3.77 3.38 0.00 -1.26 -5.06 105.19 107.91 1u13 n GLY 237 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1u13 n GLY 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u13 s THR 238 N -2.35 2.66 0.31 2.61 -4.23 -1.26 -4.71 115.64 108.67 1u13 s THR 238 Ca 0.00 0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 60.87 1u13 s THR 238 Cb 0.00 -3.40 -0.13 0.00 1.34 0.00 0.00 72.50 70.31 1u13 s THR 238 CO 0.00 0.14 1.25 -2.65 -0.54 0.00 0.00 174.62 172.82 1u13 n PRO 239 N 0.58 1.94 0.10 3.99 -0.02 -1.26 -1.69 135.00 138.64 1u13 n PRO 239 Ca 0.01 0.68 -0.22 0.00 -2.02 0.00 0.00 63.50 61.96 1u13 n PRO 239 Cb 0.42 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 1u13 n PRO 239 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1u13 h ARG 240 N 2.77 0.57 -5.48 -0.52 2.43 -1.41 -3.43 114.38 109.30 1u13 h ARG 240 Ca -0.44 -0.80 -0.64 0.00 -0.81 0.00 0.00 59.98 57.28 1u13 h ARG 240 Cb 1.29 0.27 -0.19 0.00 -0.42 0.00 0.00 29.97 30.93 1u13 h ARG 240 CO 0.65 1.36 -0.64 -0.06 -1.51 0.00 0.00 179.97 179.77 1u13 s PHE 241 N -2.90 3.09 0.63 2.20 0.08 -1.26 -4.99 117.98 114.84 1u13 s PHE 241 Ca -0.09 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 1u13 s PHE 241 Cb 0.06 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1u13 s PHE 241 CO 0.93 0.13 0.94 -1.54 -0.10 0.00 0.00 175.22 175.58 1u13 s SER 242 N 0.03 5.29 0.23 1.36 1.04 -1.26 -4.90 113.70 115.50 1u13 s SER 242 Ca 0.02 0.61 -0.06 0.00 0.48 0.00 0.00 55.95 56.99 1u13 s SER 242 Cb -0.13 -1.46 0.32 0.00 0.10 0.00 0.00 66.02 64.85 1u13 s SER 242 CO 0.02 -1.27 1.84 0.00 0.98 0.00 0.00 173.24 174.80 1u13 h ALA 243 N -0.34 1.12 -0.06 5.32 0.00 -1.97 -1.67 119.26 121.65 1u13 h ALA 243 Ca -0.45 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1u13 h ALA 243 Cb 1.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1u13 h ALA 243 CO 0.60 0.20 -0.09 0.22 0.00 0.00 0.00 179.25 180.19 1u13 h ASP 244 N 0.88 -0.28 -0.52 0.00 3.58 -1.93 0.11 116.42 118.27 1u13 h ASP 244 Ca 0.36 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.89 1u13 h ASP 244 Cb 0.20 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 1u13 h ASP 244 CO -0.18 -0.13 0.30 -0.33 -2.88 0.00 0.00 179.24 176.02 1u13 h GLU 245 N -0.13 0.59 -0.23 0.28 5.08 -1.81 -0.01 114.58 118.34 1u13 h GLU 245 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1u13 h GLU 245 Cb 0.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1u13 h GLU 245 CO -0.14 0.39 0.07 0.82 -1.00 0.00 0.00 179.01 179.15 1u13 h ILE 246 N 0.60 1.19 -0.78 3.13 2.04 -1.00 -2.13 117.51 120.56 1u13 h ILE 246 Ca 0.21 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1u13 h ILE 246 Cb 0.03 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1u13 h ILE 246 CO -0.10 0.19 0.52 0.74 0.00 0.00 0.00 178.15 179.50 1u13 h THR 247 N 0.20 1.19 -0.65 -0.27 2.02 -0.54 -0.50 112.91 114.36 1u13 h THR 247 Ca 0.07 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1u13 h THR 247 Cb 0.23 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1u13 h THR 247 CO -0.00 0.19 0.40 1.23 0.37 0.00 0.00 175.52 177.71 1u13 h GLY 248 N 1.05 0.93 0.94 2.16 0.00 -0.81 0.12 103.07 107.46 1u13 h GLY 248 Ca 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1u13 h GLY 248 CO -0.07 0.25 0.16 -0.33 0.00 0.00 0.00 176.54 176.56 1u13 h MET 249 N 0.79 0.56 -0.58 4.80 2.07 -0.75 -1.37 114.93 120.45 1u13 h MET 249 Ca 0.26 -0.09 -0.04 0.00 -2.07 0.00 0.00 59.70 57.76 1u13 h MET 249 Cb 0.02 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 29.63 1u13 h MET 249 CO -0.11 0.52 0.22 0.74 1.07 0.00 0.00 176.91 179.35 1u13 h PHE 250 N 0.47 0.90 -0.58 -0.22 0.04 -0.68 -1.53 116.94 115.33 1u13 h PHE 250 Ca 0.13 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.84 1u13 h PHE 250 Cb 0.16 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1u13 h PHE 250 CO -0.01 0.73 0.37 0.82 -0.60 0.00 0.00 178.31 179.63 1u13 h ILE 251 N 0.80 1.11 -0.41 -0.55 2.04 -0.62 -2.41 117.51 117.48 1u13 h ILE 251 Ca 0.19 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1u13 h ILE 251 Cb 0.23 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1u13 h ILE 251 CO -0.01 0.14 0.25 0.28 0.00 0.00 0.00 178.15 178.80 1u13 h SER 252 N 0.75 0.40 -0.90 1.72 0.02 -0.87 -2.04 113.55 112.64 1u13 h SER 252 Ca 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1u13 h SER 252 Cb -0.04 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1u13 h SER 252 CO -0.07 0.29 0.54 0.24 -1.14 0.00 0.00 176.83 176.69 1u13 h MET 253 N 0.50 1.22 0.00 3.45 2.86 -1.01 -3.17 114.93 118.78 1u13 h MET 253 Ca 0.16 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1u13 h MET 253 Cb 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.41 1u13 h MET 253 CO -0.07 0.85 -0.50 0.52 1.06 0.00 0.00 176.91 178.77 1u13 h MET 254 N 1.24 0.00 0.55 1.72 2.86 -1.23 -3.42 114.93 116.65 1u13 h MET 254 Ca 0.32 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.94 1u13 h MET 254 Cb -0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.61 1u13 h MET 254 CO -0.06 0.00 -0.26 0.35 1.06 0.00 0.00 176.91 178.00 1u13 h PHE 255 N 0.00 -0.68 -0.85 -0.22 3.04 -1.34 -2.56 116.94 114.33 1u13 h PHE 255 Ca 0.00 -0.02 0.17 0.00 3.98 0.00 0.00 57.97 62.10 1u13 h PHE 255 Cb 0.80 0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.48 1u13 h PHE 255 CO 0.00 -0.38 0.56 0.00 -2.02 0.00 0.00 178.31 176.47 1u13 h ALA 256 N -0.47 2.07 -0.03 2.41 0.00 -1.80 -2.63 119.26 118.81 1u13 h ALA 256 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u13 h ALA 256 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1u13 h ALA 256 CO 0.12 -0.32 -0.07 0.41 0.00 0.00 0.00 179.25 179.39 1u13 n GLY 257 N -1.49 0.69 0.02 0.00 0.00 -1.22 -4.43 105.19 98.76 1u13 n GLY 257 Ca 0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 1u13 n GLY 257 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1u13 h HIS 258 N 3.98 0.00 -0.05 1.61 6.17 -1.06 -3.13 115.15 122.67 1u13 h HIS 258 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 1u13 h HIS 258 Cb 0.88 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.81 1u13 h HIS 258 CO 0.00 0.00 -0.13 1.12 0.71 0.00 0.00 177.93 179.63 1u13 h HIS 259 N -0.41 0.07 0.26 5.26 2.07 -1.84 0.14 115.15 120.71 1u13 h HIS 259 Ca 0.00 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 1u13 h HIS 259 Cb 0.06 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1u13 h HIS 259 CO -0.03 0.20 -0.13 1.79 -3.07 0.00 0.00 177.93 176.70 1u13 h THR 260 N 0.07 0.78 -0.48 6.12 1.35 -1.77 -1.10 112.91 117.88 1u13 h THR 260 Ca 0.02 -0.60 -0.10 0.00 -0.55 0.00 0.00 66.41 65.18 1u13 h THR 260 Cb 0.27 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 1u13 h THR 260 CO 0.02 0.12 -0.10 0.28 -0.25 0.00 0.00 175.52 175.60 1u13 h SER 261 N -0.68 0.92 0.48 5.36 0.02 -1.45 -0.78 113.55 117.43 1u13 h SER 261 Ca -0.04 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1u13 h SER 261 Cb 0.47 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1u13 h SER 261 CO 0.06 1.06 -0.31 -1.28 -1.14 0.00 0.00 176.83 175.21 1u13 h SER 262 N 0.77 -0.79 -0.69 3.07 0.87 -0.75 -0.28 113.55 115.75 1u13 h SER 262 Ca 0.12 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1u13 h SER 262 Cb 0.64 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1u13 h SER 262 CO 0.04 -0.48 0.41 1.23 -0.53 0.00 0.00 176.83 177.50 1u13 h GLY 263 N -0.76 1.00 1.75 5.77 0.00 -1.19 -2.11 103.07 107.53 1u13 h GLY 263 Ca -0.05 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1u13 h GLY 263 CO 0.04 0.40 -0.16 -0.84 0.00 0.00 0.00 176.54 175.98 1u13 h THR 264 N 0.93 1.21 -0.31 4.70 2.02 -1.01 -0.74 112.91 119.71 1u13 h THR 264 Ca 0.25 -0.94 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 1u13 h THR 264 Cb -0.03 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1u13 h THR 264 CO -0.05 0.29 -0.34 0.00 0.37 0.00 0.00 175.52 175.80 1u13 h ALA 265 N 1.56 0.46 -0.17 6.16 0.00 -0.76 -1.76 119.26 124.74 1u13 h ALA 265 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1u13 h ALA 265 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u13 h ALA 265 CO 0.03 0.52 0.10 0.77 0.00 0.00 0.00 179.25 180.66 1u13 h SER 266 N 0.54 0.21 0.52 0.00 0.02 -0.82 -2.59 113.55 111.42 1u13 h SER 266 Ca 0.04 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1u13 h SER 266 Cb 0.92 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1u13 h SER 266 CO 0.08 0.22 -0.40 -0.50 -1.14 0.00 0.00 176.83 175.09 1u13 h TRP 267 N 0.18 0.00 -0.58 3.45 4.06 -1.15 -1.51 115.95 120.40 1u13 h TRP 267 Ca 0.06 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.93 1u13 h TRP 267 Cb 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 1u13 h TRP 267 CO -0.04 0.40 0.05 1.15 -3.56 0.00 0.00 178.44 176.43 1u13 h THR 268 N 0.00 1.26 -0.29 1.49 2.02 -1.13 -0.48 112.91 115.78 1u13 h THR 268 Ca -0.00 -1.06 -0.14 0.00 0.77 0.00 0.00 66.41 65.97 1u13 h THR 268 Cb 0.77 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1u13 h THR 268 CO 0.05 0.38 -0.38 0.25 0.37 0.00 0.00 175.52 176.20 1u13 h LEU 269 N 0.88 0.83 -0.24 2.58 5.85 -1.23 -2.00 115.31 121.98 1u13 h LEU 269 Ca 0.17 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1u13 h LEU 269 Cb 0.49 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1u13 h LEU 269 CO 0.02 1.16 0.11 0.40 -0.34 0.00 0.00 178.44 179.79 1u13 h ILE 270 N 0.52 0.98 -0.14 4.05 2.04 -1.07 -0.63 117.51 123.25 1u13 h ILE 270 Ca 0.03 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1u13 h ILE 270 Cb 0.97 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1u13 h ILE 270 CO 0.09 0.04 -0.25 -0.33 0.00 0.00 0.00 178.15 177.70 1u13 h GLU 271 N 0.23 0.25 -0.31 2.37 4.39 -1.09 0.86 114.58 121.29 1u13 h GLU 271 Ca 0.10 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1u13 h GLU 271 Cb 0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1u13 h GLU 271 CO -0.08 0.50 0.08 -0.07 -1.16 0.00 0.00 179.01 178.28 1u13 h LEU 272 N 0.23 0.46 -0.88 1.33 3.38 -0.81 -0.84 115.31 118.18 1u13 h LEU 272 Ca 0.04 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1u13 h LEU 272 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1u13 h LEU 272 CO 0.04 0.56 -0.26 0.24 0.09 0.00 0.00 178.44 179.11 1u13 h MET 273 N 0.34 0.52 0.00 1.13 2.86 -0.69 -2.46 114.93 116.63 1u13 h MET 273 Ca 0.10 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1u13 h MET 273 Cb 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1u13 h MET 273 CO -0.00 0.74 -0.10 0.00 1.06 0.00 0.00 176.91 178.61 1u13 h ARG 274 N 0.45 0.00 -2.79 1.72 3.08 -0.60 -3.36 114.38 112.88 1u13 h ARG 274 Ca 0.06 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.51 1u13 h ARG 274 Cb 0.70 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.35 1u13 h ARG 274 CO 0.05 0.10 -0.77 -1.01 -1.07 0.00 0.00 179.97 177.27 1u13 s HIS 275 N -3.67 2.18 0.51 3.04 3.76 -0.34 -4.97 115.29 115.80 1u13 s HIS 275 Ca 0.01 -2.68 0.20 0.00 -0.15 0.00 0.00 55.06 52.43 1u13 s HIS 275 Cb 0.09 -1.80 1.29 0.00 1.11 0.00 0.00 32.58 33.27 1u13 s HIS 275 CO 0.59 -0.72 2.07 0.00 -0.85 0.00 0.00 174.74 175.83 1u13 h ARG 276 N 5.91 0.05 -0.37 1.40 2.47 -1.71 -1.13 114.38 120.99 1u13 h ARG 276 Ca 0.14 -0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.76 1u13 h ARG 276 Cb 0.86 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.16 1u13 h ARG 276 CO 0.52 0.03 -0.19 0.38 0.56 0.00 0.00 179.97 181.27 1u13 h ASP 277 N 0.05 0.70 0.14 7.04 2.03 -1.93 0.32 116.42 124.77 1u13 h ASP 277 Ca 0.13 -0.23 -0.23 0.00 -0.73 0.00 0.00 57.03 55.97 1u13 h ASP 277 Cb 0.48 -0.19 0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1u13 h ASP 277 CO -0.01 0.89 -0.91 0.00 -1.03 0.00 0.00 179.24 178.18 1u13 h ALA 278 N 1.17 0.32 -0.11 4.15 0.00 -1.62 -2.12 119.26 121.05 1u13 h ALA 278 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1u13 h ALA 278 Cb 0.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1u13 h ALA 278 CO 0.05 0.75 0.07 -0.92 0.00 0.00 0.00 179.25 179.20 1u13 h TYR 279 N 0.34 0.14 -0.90 0.00 5.03 -0.88 -0.81 116.97 119.90 1u13 h TYR 279 Ca -0.08 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1u13 h TYR 279 Cb 1.54 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.73 1u13 h TYR 279 CO 0.08 0.10 0.52 0.00 -1.32 0.00 0.00 178.16 177.53 1u13 h ALA 280 N 1.03 1.15 -0.43 1.82 0.00 -0.36 -1.39 119.26 121.09 1u13 h ALA 280 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u13 h ALA 280 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1u13 h ALA 280 CO -0.01 0.63 0.28 0.00 0.00 0.00 0.00 179.25 180.15 1u13 h ALA 281 N 1.28 0.54 -0.53 0.00 0.00 -0.93 -1.91 119.26 117.71 1u13 h ALA 281 Ca 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1u13 h ALA 281 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1u13 h ALA 281 CO -0.06 0.01 0.25 0.28 0.00 0.00 0.00 179.25 179.73 1u13 h VAL 282 N 0.57 1.20 0.21 0.00 2.07 -0.79 -1.81 116.25 117.70 1u13 h VAL 282 Ca 0.16 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1u13 h VAL 282 Cb -0.05 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1u13 h VAL 282 CO -0.03 0.23 -0.18 0.40 0.02 0.00 0.00 177.57 178.00 1u13 h ILE 283 N 0.71 0.61 -0.55 4.57 1.08 -1.02 0.83 117.51 123.74 1u13 h ILE 283 Ca 0.18 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.74 1u13 h ILE 283 Cb 0.12 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 34.41 1u13 h ILE 283 CO -0.02 0.00 0.16 0.44 -0.69 0.00 0.00 178.15 178.04 1u13 h ASP 284 N -0.40 0.12 0.17 1.72 3.32 -1.26 -0.81 116.42 119.28 1u13 h ASP 284 Ca -0.01 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1u13 h ASP 284 Cb 0.37 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1u13 h ASP 284 CO -0.03 0.08 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.33 1u13 h GLU 285 N 0.32 -0.36 -0.41 3.56 4.81 -0.95 -1.31 114.58 120.24 1u13 h GLU 285 Ca 0.28 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1u13 h GLU 285 Cb 0.36 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1u13 h GLU 285 CO -0.31 -0.24 0.16 -0.07 -0.73 0.00 0.00 179.01 177.82 1u13 h LEU 286 N -0.37 0.20 -0.98 1.64 3.38 -0.36 -0.23 115.31 118.59 1u13 h LEU 286 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1u13 h LEU 286 Cb 0.35 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1u13 h LEU 286 CO -0.04 0.15 0.62 0.44 0.09 0.00 0.00 178.44 179.70 1u13 h ASP 287 N 0.34 1.15 0.31 -0.43 3.32 -0.97 -1.77 116.42 118.37 1u13 h ASP 287 Ca 0.19 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1u13 h ASP 287 Cb 0.15 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1u13 h ASP 287 CO -0.18 0.85 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.72 1u13 h GLU 288 N 1.34 -0.40 -0.33 3.56 5.08 -0.75 -2.97 114.58 120.11 1u13 h GLU 288 Ca 0.36 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 1u13 h GLU 288 Cb -0.11 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1u13 h GLU 288 CO -0.07 -0.07 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.64 1u13 h LEU 289 N -0.80 -0.53 0.00 1.33 3.38 -0.97 -0.06 115.31 117.65 1u13 h LEU 289 Ca -0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1u13 h LEU 289 Cb 0.51 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1u13 h LEU 289 CO 0.07 -0.19 0.00 -1.22 0.09 0.00 0.00 178.44 177.19 1u13 n TYR 290 N -5.33 0.00 0.67 1.13 4.02 -0.67 -2.41 117.16 114.56 1u13 n TYR 290 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 1u13 n TYR 290 Cb 0.25 -0.02 0.40 0.00 -0.02 0.00 0.00 39.34 39.94 1u13 n TYR 290 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u13 n GLY 291 N 0.23 -1.05 0.19 2.72 0.00 -0.04 -2.03 105.19 105.21 1u13 n GLY 291 Ca 0.14 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1u13 n GLY 291 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u13 n ASP 292 N -1.45 0.66 0.00 1.61 5.75 -1.01 -4.92 116.55 117.18 1u13 n ASP 292 Ca 0.05 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.91 1u13 n ASP 292 Cb 0.19 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1u13 n ASP 292 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u13 n GLY 293 N 1.19 0.44 3.89 6.12 0.00 -0.86 -5.03 105.19 110.94 1u13 n GLY 293 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1u13 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u13 s ARG 294 N -0.37 3.71 0.95 1.61 1.81 -1.26 -5.08 118.95 120.33 1u13 s ARG 294 Ca 0.00 0.31 -0.14 0.00 -1.72 0.00 0.00 55.73 54.18 1u13 s ARG 294 Cb 0.00 -2.46 0.17 0.00 -0.45 0.00 0.00 34.95 32.21 1u13 s ARG 294 CO 0.00 0.02 1.19 -1.54 -0.68 0.00 0.00 175.30 174.28 1u13 s SER 295 N -3.26 3.18 0.29 0.23 1.04 -1.26 -4.85 113.70 109.07 1u13 s SER 295 Ca 0.49 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1u13 s SER 295 Cb -0.10 -1.10 0.43 0.00 0.10 0.00 0.00 66.02 65.34 1u13 s SER 295 CO 0.32 -2.73 1.81 0.58 0.98 0.00 0.00 173.24 174.20 1u13 h VAL 296 N -1.63 1.23 0.00 5.02 2.07 -1.98 -1.61 116.25 119.35 1u13 h VAL 296 Ca -0.48 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 1u13 h VAL 296 Cb 1.30 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1u13 h VAL 296 CO 0.53 0.32 -0.01 0.77 0.02 0.00 0.00 177.57 179.19 1u13 h SER 297 N 0.69 0.00 0.00 0.57 4.64 -1.86 0.26 113.55 117.85 1u13 h SER 297 Ca 0.14 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 1u13 h SER 297 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1u13 h SER 297 CO 0.01 0.01 -0.86 0.15 -0.87 0.00 0.00 176.83 175.27 1u13 h PHE 298 N 0.00 0.00 0.00 4.77 3.57 -1.67 -3.40 116.94 120.20 1u13 h PHE 298 Ca -0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1u13 h PHE 298 Cb 0.04 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1u13 h PHE 298 CO 0.00 1.00 -0.30 0.45 -2.23 0.00 0.00 178.31 177.22 1u13 h HIS 299 N -1.00 0.00 0.00 0.41 3.86 -1.07 -3.06 115.15 114.29 1u13 h HIS 299 Ca -0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1u13 h HIS 299 Cb 1.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1u13 h HIS 299 CO 0.04 0.30 0.00 0.00 0.86 0.00 0.00 177.93 179.13 1u13 n ALA 300 N -2.27 1.85 0.77 2.45 0.00 0.88 -2.19 120.51 122.02 1u13 n ALA 300 Ca -0.00 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1u13 n ALA 300 Cb 0.47 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.64 1u13 n ALA 300 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u13 n LEU 301 N -1.89 2.65 -4.56 0.00 4.32 -1.16 -4.48 117.00 111.89 1u13 n LEU 301 Ca 0.04 -1.03 -0.26 0.00 -0.02 0.00 0.00 56.01 54.74 1u13 n LEU 301 Cb 0.26 -0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 41.95 1u13 n LEU 301 CO 0.20 0.47 -0.25 -0.13 -1.22 0.00 0.00 177.39 176.46 1u13 s ARG 302 N -1.60 1.90 0.17 3.23 0.52 -0.93 -5.11 118.95 117.13 1u13 s ARG 302 Ca 0.23 -2.13 -0.34 0.00 -0.52 0.00 0.00 55.73 52.98 1u13 s ARG 302 Cb 0.16 -1.04 -0.14 0.00 0.52 0.00 0.00 34.95 34.45 1u13 s ARG 302 CO 0.24 -0.29 1.60 1.04 0.02 0.00 0.00 175.30 177.91 1u13 n GLN 303 N -0.92 2.25 -3.14 3.54 1.13 -1.26 -4.93 117.38 114.05 1u13 n GLN 303 Ca -0.07 0.81 -0.21 0.00 -1.94 0.00 0.00 57.00 55.58 1u13 n GLN 303 Cb 0.66 -2.59 -0.05 0.00 0.11 0.00 0.00 30.24 28.37 1u13 n GLN 303 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1u13 n ILE 304 N 3.49 -0.66 -0.16 5.09 5.41 -1.26 -5.06 119.36 126.21 1u13 n ILE 304 Ca 0.17 -3.40 -0.04 0.00 1.00 0.00 0.00 62.75 60.47 1u13 n ILE 304 Cb 0.30 -1.26 -0.04 0.00 -0.71 0.00 0.00 39.64 37.92 1u13 n ILE 304 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1u13 n PRO 305 N 1.77 -0.17 -0.05 0.38 -0.02 -1.26 -1.03 135.00 134.62 1u13 n PRO 305 Ca 0.21 1.14 -0.08 0.00 -2.02 0.00 0.00 63.50 62.75 1u13 n PRO 305 Cb 0.54 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 1u13 n PRO 305 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1u13 h GLN 306 N 0.00 0.02 -0.32 -0.52 1.08 -1.97 0.15 115.11 113.55 1u13 h GLN 306 Ca 0.06 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1u13 h GLN 306 Cb 0.16 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1u13 h GLN 306 CO -0.36 0.01 0.19 1.25 -0.95 0.00 0.00 178.83 178.97 1u13 h LEU 307 N 0.02 0.38 -0.87 1.46 5.85 -1.89 -0.56 115.31 119.70 1u13 h LEU 307 Ca 0.11 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1u13 h LEU 307 Cb 0.16 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1u13 h LEU 307 CO -0.22 0.33 0.52 -0.33 -0.34 0.00 0.00 178.44 178.40 1u13 h GLU 308 N 0.41 0.88 -0.05 1.25 5.08 -0.54 0.18 114.58 121.79 1u13 h GLU 308 Ca 0.11 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1u13 h GLU 308 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1u13 h GLU 308 CO -0.02 0.58 -0.60 -0.91 -1.00 0.00 0.00 179.01 177.06 1u13 h ASN 309 N 0.91 0.20 -0.59 1.42 2.35 -0.59 0.08 115.58 119.37 1u13 h ASN 309 Ca 0.40 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.93 1u13 h ASN 309 Cb 0.28 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1u13 h ASN 309 CO -0.21 0.76 -0.03 0.58 -1.65 0.00 0.00 177.43 176.88 1u13 h VAL 310 N 0.13 1.27 -0.35 2.81 2.07 0.02 -1.62 116.25 120.59 1u13 h VAL 310 Ca -0.01 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1u13 h VAL 310 Cb 1.09 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1u13 h VAL 310 CO 0.09 0.43 0.08 0.25 0.02 0.00 0.00 177.57 178.44 1u13 h LEU 311 N 0.96 0.53 -0.87 2.57 5.85 -0.31 -0.42 115.31 123.62 1u13 h LEU 311 Ca 0.17 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1u13 h LEU 311 Cb 0.59 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1u13 h LEU 311 CO 0.04 0.63 0.56 0.11 -0.34 0.00 0.00 178.44 179.43 1u13 h LYS 312 N 0.40 1.16 -0.27 1.25 1.57 -0.83 -0.42 116.57 119.44 1u13 h LYS 312 Ca 0.11 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1u13 h LYS 312 Cb 0.31 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1u13 h LYS 312 CO 0.00 0.79 -0.52 1.49 -0.57 0.00 0.00 179.45 180.64 1u13 h GLU 313 N 1.19 0.79 -0.97 3.15 4.57 -1.16 -1.69 114.58 120.46 1u13 h GLU 313 Ca 0.32 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1u13 h GLU 313 Cb -0.11 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 1u13 h GLU 313 CO -0.07 1.11 0.61 1.15 -1.18 0.00 0.00 179.01 180.64 1u13 h THR 314 N 0.61 1.26 -0.14 0.32 2.02 -0.68 -1.53 112.91 114.76 1u13 h THR 314 Ca 0.02 -0.52 -0.14 0.00 0.77 0.00 0.00 66.41 66.54 1u13 h THR 314 Cb 1.10 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1u13 h THR 314 CO 0.11 0.26 -0.53 -0.07 0.37 0.00 0.00 175.52 175.67 1u13 h LEU 315 N 1.32 0.44 -0.10 2.58 3.38 -0.94 0.20 115.31 122.20 1u13 h LEU 315 Ca 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1u13 h LEU 315 Cb -0.10 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1u13 h LEU 315 CO -0.07 0.89 0.03 -0.09 0.09 0.00 0.00 178.44 179.28 1u13 h ARG 316 N 0.31 0.16 -0.03 1.13 2.43 -0.70 -2.46 114.38 115.23 1u13 h ARG 316 Ca 0.01 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 1u13 h ARG 316 Cb 1.03 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1u13 h ARG 316 CO 0.09 0.33 -0.78 -0.07 -1.51 0.00 0.00 179.97 178.03 1u13 h LEU 317 N -0.03 0.31 -5.59 3.80 3.38 -1.27 -3.38 115.31 112.53 1u13 h LEU 317 Ca 0.03 -0.22 -0.55 0.00 0.09 0.00 0.00 57.88 57.23 1u13 h LEU 317 Cb 0.24 -0.09 -0.41 0.00 0.09 0.00 0.00 40.66 40.48 1u13 h LEU 317 CO -0.00 0.97 -0.86 1.41 0.09 0.00 0.00 178.44 180.05 1u13 n HIS 318 N -3.75 2.51 -1.87 1.13 8.25 0.69 -5.05 115.22 117.13 1u13 n HIS 318 Ca -0.04 -3.93 -0.42 0.00 -0.26 0.00 0.00 57.72 53.07 1u13 n HIS 318 Cb 0.74 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1u13 n HIS 318 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1u13 s PRO 319 N -3.03 4.17 0.48 -0.41 0.04 -0.93 -4.70 135.00 130.63 1u13 s PRO 319 Ca 0.45 2.38 0.18 0.00 0.04 0.00 0.00 61.00 64.05 1u13 s PRO 319 Cb 0.30 -3.92 1.20 0.00 0.04 0.00 0.00 34.50 32.12 1u13 s PRO 319 CO -0.11 -0.85 2.01 -1.00 0.04 0.00 0.00 177.00 177.09 1u13 h PRO 320 N 9.49 0.19 -4.63 0.56 0.13 -1.87 -3.33 132.00 132.54 1u13 h PRO 320 Ca -0.44 -0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 63.98 1u13 h PRO 320 Cb 1.20 -0.04 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 1u13 h PRO 320 CO 0.94 0.13 -0.55 -0.51 -0.23 0.00 0.00 178.00 177.78 1u13 s LEU 321 N -9.09 4.54 0.07 1.56 1.02 -1.26 -4.38 118.68 111.15 1u13 s LEU 321 Ca -0.06 -1.05 0.25 0.00 0.02 0.00 0.00 54.13 53.28 1u13 s LEU 321 Cb 0.19 -1.96 0.48 0.00 0.02 0.00 0.00 46.19 44.92 1u13 s LEU 321 CO 0.73 -0.36 1.41 2.30 0.02 0.00 0.00 176.35 180.45 1u13 n ILE 322 N 4.92 0.22 -3.79 -0.59 -5.35 -1.25 -4.37 119.36 109.15 1u13 n ILE 322 Ca -0.12 -0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 1u13 n ILE 322 Cb 0.45 -0.05 -0.12 0.00 -1.74 0.00 0.00 39.64 38.18 1u13 n ILE 322 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1u13 s ILE 323 N -3.10 -0.00 -0.16 7.28 2.07 -1.26 -3.39 121.20 122.64 1u13 s ILE 323 Ca 0.08 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.35 1u13 s ILE 323 Cb 0.15 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.42 1u13 s ILE 323 CO 0.70 0.00 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.77 1u13 s LEU 324 N 0.15 2.18 0.05 8.50 1.43 0.16 -4.98 118.68 126.17 1u13 s LEU 324 Ca -0.00 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1u13 s LEU 324 Cb -0.02 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1u13 s LEU 324 CO 0.00 0.06 0.05 -0.04 0.23 0.00 0.00 176.35 176.65 1u13 s MET 325 N 0.97 2.84 0.09 1.70 -1.94 -1.26 -1.88 119.30 119.81 1u13 s MET 325 Ca -0.03 -0.66 -0.10 0.00 -1.71 0.00 0.00 55.69 53.19 1u13 s MET 325 Cb -0.15 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 33.99 1u13 s MET 325 CO -0.05 0.59 0.21 1.03 -0.01 0.00 0.00 175.02 176.79 1u13 s ARG 326 N -2.09 0.86 -0.18 2.03 1.81 0.25 -4.72 118.95 116.91 1u13 s ARG 326 Ca 0.26 -0.90 -0.01 0.00 -1.72 0.00 0.00 55.73 53.36 1u13 s ARG 326 Cb -0.12 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.74 1u13 s ARG 326 CO 0.18 -0.28 -0.13 0.08 -0.68 0.00 0.00 175.30 174.46 1u13 s VAL 327 N -3.75 2.72 0.19 3.52 1.01 0.22 -0.24 120.40 124.08 1u13 s VAL 327 Ca 0.04 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1u13 s VAL 327 Cb 0.04 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 1u13 s VAL 327 CO -0.11 0.50 1.50 0.00 0.00 0.00 0.00 175.10 176.99 1u13 s ALA 328 N 1.12 3.70 -1.65 5.51 0.00 0.76 -0.32 121.76 130.88 1u13 s ALA 328 Ca 0.01 1.33 0.17 0.00 0.00 0.00 0.00 51.96 53.46 1u13 s ALA 328 Cb -0.14 -3.59 0.39 0.00 0.00 0.00 0.00 23.12 19.78 1u13 s ALA 328 CO -0.04 -0.75 1.31 1.63 0.00 0.00 0.00 175.76 177.91 1u13 n LYS 329 N 3.30 2.43 -2.29 0.00 4.76 0.17 -0.92 118.16 125.62 1u13 n LYS 329 Ca 0.11 -2.14 -0.01 0.00 -2.87 0.00 0.00 58.31 53.39 1u13 n LYS 329 Cb 0.40 -1.40 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 1u13 n LYS 329 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u13 n GLY 330 N 1.06 1.04 3.77 0.72 0.00 -1.26 -4.87 105.19 105.65 1u13 n GLY 330 Ca 0.16 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 1u13 n GLY 330 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u13 s GLU 331 N -2.02 4.05 0.06 1.61 2.02 -1.26 -2.78 118.70 120.39 1u13 s GLU 331 Ca 0.08 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1u13 s GLU 331 Cb -0.01 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1u13 s GLU 331 CO 0.02 0.42 -0.04 -0.06 0.02 0.00 0.00 175.26 175.61 1u13 s PHE 332 N -0.08 0.63 -0.11 1.61 0.40 -0.46 -4.96 117.98 115.02 1u13 s PHE 332 Ca 0.17 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.56 1u13 s PHE 332 Cb -0.13 -0.42 0.01 0.00 0.51 0.00 0.00 43.02 42.98 1u13 s PHE 332 CO 0.05 -0.29 -0.21 -2.00 0.70 0.00 0.00 175.22 173.47 1u13 s GLU 333 N -3.70 2.83 -0.24 0.44 2.12 -1.26 0.02 118.70 118.91 1u13 s GLU 333 Ca 0.07 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 1u13 s GLU 333 Cb 0.06 -2.22 0.07 0.00 0.26 0.00 0.00 34.13 32.30 1u13 s GLU 333 CO -0.08 0.08 0.01 0.08 -0.54 0.00 0.00 175.26 174.82 1u13 s VAL 334 N 0.59 1.09 -1.34 3.70 1.01 0.57 -4.81 120.40 121.21 1u13 s VAL 334 Ca -0.14 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 1u13 s VAL 334 Cb -0.17 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1u13 s VAL 334 CO 0.04 -0.29 1.00 0.00 0.00 0.00 0.00 175.10 175.86 1u13 n GLN 335 N 4.82 -6.93 -0.65 2.72 6.02 -1.26 -1.83 117.38 120.26 1u13 n GLN 335 Ca -0.08 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1u13 n GLN 335 Cb 0.45 -5.70 0.00 0.00 1.02 0.00 0.00 30.24 26.00 1u13 n GLN 335 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u13 n GLY 336 N -1.84 1.44 3.67 1.08 0.00 -1.26 -5.01 105.19 103.27 1u13 n GLY 336 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1u13 n GLY 336 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u13 s HIS 337 N -3.55 3.31 -0.19 1.61 3.76 -0.76 -5.08 115.29 114.38 1u13 s HIS 337 Ca 0.00 0.17 -0.13 0.00 -0.15 0.00 0.00 55.06 54.95 1u13 s HIS 337 Cb 0.00 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 1u13 s HIS 337 CO 0.00 0.21 0.27 0.50 -0.85 0.00 0.00 174.74 174.87 1u13 s ARG 338 N 0.33 4.19 -0.13 1.40 3.52 -1.26 -0.31 118.95 126.69 1u13 s ARG 338 Ca 0.05 -0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.54 1u13 s ARG 338 Cb -0.12 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1u13 s ARG 338 CO -0.01 0.14 0.22 0.42 -0.81 0.00 0.00 175.30 175.26 1u13 s ILE 339 N 0.80 5.36 0.21 4.11 1.01 0.10 -4.94 121.20 127.85 1u13 s ILE 339 Ca 0.14 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.26 1u13 s ILE 339 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1u13 s ILE 339 CO 0.04 0.52 0.03 -1.00 0.00 0.00 0.00 174.94 174.53 1u13 s HIS 340 N -0.35 2.85 0.32 3.97 3.76 -1.26 -1.35 115.29 123.23 1u13 s HIS 340 Ca 0.15 -0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 1u13 s HIS 340 Cb -0.13 -1.34 -0.12 0.00 1.11 0.00 0.00 32.58 32.10 1u13 s HIS 340 CO 0.04 0.55 1.39 -1.91 -0.85 0.00 0.00 174.74 173.96 1u13 n GLU 341 N -0.49 2.27 0.00 1.40 0.00 -1.12 -1.20 120.64 121.51 1u13 n GLU 341 Ca -0.08 0.80 0.00 0.00 0.00 0.00 0.00 57.16 57.88 1u13 n GLU 341 Cb 0.57 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.56 1u13 n GLU 341 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u13 n GLY 342 N 1.23 1.76 3.76 8.31 0.00 -0.10 -4.96 105.19 115.19 1u13 n GLY 342 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1u13 n GLY 342 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u13 s ASP 343 N -2.22 7.05 0.05 1.61 1.01 -0.34 -4.75 116.67 119.08 1u13 s ASP 343 Ca 0.00 2.41 -0.25 0.00 0.71 0.00 0.00 52.55 55.42 1u13 s ASP 343 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1u13 s ASP 343 CO 0.00 -0.34 0.76 -0.76 0.21 0.00 0.00 175.17 175.04 1u13 s LEU 344 N -1.22 4.46 -0.06 1.23 1.43 -0.86 -0.17 118.68 123.48 1u13 s LEU 344 Ca 0.48 1.46 0.05 0.00 -1.03 0.00 0.00 54.13 55.09 1u13 s LEU 344 Cb -0.35 -3.23 -0.00 0.00 0.03 0.00 0.00 46.19 42.64 1u13 s LEU 344 CO 0.44 0.03 -0.21 -0.69 0.23 0.00 0.00 176.35 176.15 1u13 s VAL 345 N -0.12 1.75 0.07 -1.59 1.01 0.67 -0.54 120.40 121.66 1u13 s VAL 345 Ca 0.38 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1u13 s VAL 345 Cb -0.21 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1u13 s VAL 345 CO 0.23 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 175.76 1u13 s ALA 346 N 0.12 0.75 0.13 5.51 0.00 -0.34 -0.58 121.76 127.35 1u13 s ALA 346 Ca -0.09 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1u13 s ALA 346 Cb -0.14 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1u13 s ALA 346 CO 0.04 -0.19 -0.15 0.00 0.00 0.00 0.00 175.76 175.46 1u13 s ALA 347 N -2.94 1.64 -0.19 0.00 0.00 -0.79 -0.03 121.76 119.46 1u13 s ALA 347 Ca 0.04 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1u13 s ALA 347 Cb 0.01 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.07 1u13 s ALA 347 CO -0.04 0.14 0.01 0.45 0.00 0.00 0.00 175.76 176.33 1u13 s SER 348 N -2.50 2.89 0.23 0.00 0.15 -1.26 -0.67 113.70 112.55 1u13 s SER 348 Ca 0.11 -0.78 -0.07 0.00 0.70 0.00 0.00 55.95 55.91 1u13 s SER 348 Cb -0.05 -0.68 0.20 0.00 -1.71 0.00 0.00 66.02 63.78 1u13 s SER 348 CO 0.04 -0.28 1.81 -0.65 1.20 0.00 0.00 173.24 175.37 1u13 h PRO 349 N 8.21 1.20 -0.51 5.44 0.11 -1.75 0.14 132.00 144.83 1u13 h PRO 349 Ca -0.17 -0.19 0.10 0.00 0.11 0.00 0.00 66.00 65.85 1u13 h PRO 349 Cb 1.11 -0.21 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 1u13 h PRO 349 CO 0.34 0.93 0.02 0.00 -0.21 0.00 0.00 178.00 179.09 1u13 h ALA 350 N 1.23 0.51 0.03 -0.75 0.00 -1.79 0.42 119.26 118.91 1u13 h ALA 350 Ca 0.28 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1u13 h ALA 350 Cb 0.15 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u13 h ALA 350 CO -0.03 -0.37 -0.01 0.82 0.00 0.00 0.00 179.25 179.65 1u13 h ILE 351 N 0.14 1.36 -0.80 0.00 1.08 -1.75 -3.36 117.51 114.18 1u13 h ILE 351 Ca 0.26 -1.77 -0.00 0.00 -0.39 0.00 0.00 64.86 62.96 1u13 h ILE 351 Cb 0.39 2.45 -0.04 0.00 -3.07 0.00 0.00 36.82 36.56 1u13 h ILE 351 CO -0.41 0.42 0.50 0.28 -0.69 0.00 0.00 178.15 178.24 1u13 h SER 352 N -0.88 0.95 0.21 1.72 0.02 -0.64 -1.97 113.55 112.95 1u13 h SER 352 Ca -0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1u13 h SER 352 Cb 0.72 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1u13 h SER 352 CO 0.01 0.72 0.00 0.59 -1.14 0.00 0.00 176.83 177.01 1u13 n ASN 353 N -4.39 0.16 -0.18 3.07 3.02 0.13 -2.36 115.26 114.71 1u13 n ASN 353 Ca 0.09 0.56 0.08 0.00 -0.03 0.00 0.00 54.58 55.28 1u13 n ASN 353 Cb 0.05 -0.59 0.13 0.00 -0.61 0.00 0.00 39.78 38.77 1u13 n ASN 353 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u13 n ARG 354 N -1.70 1.83 -1.75 3.52 1.74 -0.74 -4.88 116.66 114.69 1u13 n ARG 354 Ca 0.01 -2.41 -0.42 0.00 -0.77 0.00 0.00 57.85 54.26 1u13 n ARG 354 Cb 0.07 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1u13 n ARG 354 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u13 s ILE 355 N -2.49 3.16 0.48 0.55 1.01 -1.00 -4.75 121.20 118.18 1u13 s ILE 355 Ca 0.27 0.19 0.20 0.00 0.00 0.00 0.00 60.65 61.31 1u13 s ILE 355 Cb 0.23 -3.15 0.37 0.00 0.01 0.00 0.00 42.46 39.92 1u13 s ILE 355 CO 0.04 -0.05 1.98 1.55 0.00 0.00 0.00 174.94 178.45 1u13 h PRO 356 N 11.86 0.18 -0.15 2.79 0.13 -1.93 -0.18 132.00 144.69 1u13 h PRO 356 Ca -0.44 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 1u13 h PRO 356 Cb 1.22 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1u13 h PRO 356 CO 0.96 0.12 -0.59 1.49 -0.23 0.00 0.00 178.00 179.75 1u13 h GLU 357 N 0.19 0.48 0.10 0.86 4.57 -2.00 -3.29 114.58 115.49 1u13 h GLU 357 Ca 0.28 -0.32 -0.31 0.00 -1.18 0.00 0.00 59.36 57.83 1u13 h GLU 357 Cb 0.83 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1u13 h GLU 357 CO -0.05 0.93 -1.57 -0.44 -1.18 0.00 0.00 179.01 176.70 1u13 h ASP 358 N 0.36 0.33 -3.72 1.04 3.32 -1.76 -3.43 116.42 112.57 1u13 h ASP 358 Ca -0.00 -0.50 -0.63 0.00 0.02 0.00 0.00 57.03 55.93 1u13 h ASP 358 Cb 1.13 -0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.17 1u13 h ASP 358 CO 0.11 1.42 -0.71 -0.36 -1.72 0.00 0.00 179.24 177.98 1u13 s PHE 359 N -2.61 2.69 0.06 4.55 0.08 -0.15 -5.00 117.98 117.60 1u13 s PHE 359 Ca -0.09 -2.65 -0.37 0.00 0.12 0.00 0.00 56.93 53.94 1u13 s PHE 359 Cb 0.07 -2.36 -0.17 0.00 -0.57 0.00 0.00 43.02 39.99 1u13 s PHE 359 CO 0.84 -0.83 1.34 -2.30 -0.10 0.00 0.00 175.22 174.17 1u13 n PRO 360 N 3.84 1.06 -3.57 0.24 -0.02 -1.25 -1.60 135.00 133.70 1u13 n PRO 360 Ca 0.05 0.38 -0.27 0.00 -2.02 0.00 0.00 63.50 61.64 1u13 n PRO 360 Cb 0.37 -2.02 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1u13 n PRO 360 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1u13 n ASP 361 N 2.60 -5.72 0.30 2.55 8.00 -1.26 -4.85 116.55 118.16 1u13 n ASP 361 Ca 0.19 -0.91 0.19 0.00 0.71 0.00 0.00 54.79 54.97 1u13 n ASP 361 Cb 0.18 -3.79 0.98 0.00 -0.02 0.00 0.00 41.12 38.47 1u13 n ASP 361 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1u13 h PRO 362 N -1.57 0.00 -0.01 -0.24 0.13 -1.59 -1.38 132.00 127.33 1u13 h PRO 362 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1u13 h PRO 362 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1u13 h PRO 362 CO 0.46 0.00 -0.24 0.72 -0.23 0.00 0.00 178.00 178.72 1u13 n HIS 363 N -3.22 0.00 -3.63 1.56 8.25 -1.26 -4.86 115.22 112.07 1u13 n HIS 363 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 1u13 n HIS 363 Cb 0.24 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.24 1u13 n HIS 363 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u13 s ASP 364 N -2.36 6.61 -0.61 0.41 1.01 -0.52 -5.04 116.67 116.17 1u13 s ASP 364 Ca 0.26 0.73 -0.26 0.00 0.71 0.00 0.00 52.55 53.99 1u13 s ASP 364 Cb 0.19 -2.15 0.04 0.00 1.01 0.00 0.00 42.92 42.01 1u13 s ASP 364 CO 0.48 0.21 1.12 0.12 0.21 0.00 0.00 175.17 177.30 1u13 s PHE 365 N -1.34 2.61 -0.40 4.23 5.36 -1.26 -4.96 117.98 122.22 1u13 s PHE 365 Ca 0.30 0.13 0.01 0.00 -0.96 0.00 0.00 56.93 56.41 1u13 s PHE 365 Cb -0.14 -4.39 0.14 0.00 -0.34 0.00 0.00 43.02 38.29 1u13 s PHE 365 CO 0.17 -1.61 0.22 0.08 -1.46 0.00 0.00 175.22 172.62 1u13 s VAL 366 N 4.73 0.87 0.51 3.12 1.01 -1.26 -4.97 120.40 124.40 1u13 s VAL 366 Ca 0.36 -2.16 0.25 0.00 0.00 0.00 0.00 61.98 60.43 1u13 s VAL 366 Cb -0.10 -1.62 0.30 0.00 0.00 0.00 0.00 36.38 34.97 1u13 s VAL 366 CO 0.20 -0.92 2.15 -0.65 0.00 0.00 0.00 175.10 175.88 1u13 h PRO 367 N 6.90 0.00 -0.01 2.72 0.11 -1.93 -2.46 132.00 137.33 1u13 h PRO 367 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1u13 h PRO 367 Cb 0.95 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1u13 h PRO 367 CO 0.39 0.06 0.08 0.00 -0.21 0.00 0.00 178.00 178.33 1u13 h ALA 368 N 1.94 1.15 -0.35 -0.75 0.00 -1.93 -2.00 119.26 117.32 1u13 h ALA 368 Ca -0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1u13 h ALA 368 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1u13 h ALA 368 CO 0.01 -0.09 0.31 0.00 0.00 0.00 0.00 179.25 179.47 1u13 h ARG 369 N 0.00 0.00 -0.02 0.00 3.08 -1.84 -1.26 114.38 114.33 1u13 h ARG 369 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u13 h ARG 369 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1u13 h ARG 369 CO -0.00 0.00 -0.22 0.66 -1.07 0.00 0.00 179.97 179.34 1u13 n TYR 370 N -4.07 0.00 -1.73 3.04 4.01 -0.75 -0.45 117.16 117.21 1u13 n TYR 370 Ca 0.06 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.45 1u13 n TYR 370 Cb 0.48 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.56 1u13 n TYR 370 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1u13 s GLU 371 N -2.23 2.63 0.24 -0.72 2.02 -0.48 -4.22 118.70 115.95 1u13 s GLU 371 Ca 0.24 1.63 0.05 0.00 0.02 0.00 0.00 54.97 56.92 1u13 s GLU 371 Cb 0.19 -1.91 0.69 0.00 0.10 0.00 0.00 34.13 33.20 1u13 s GLU 371 CO 0.43 -1.42 1.17 0.94 0.02 0.00 0.00 175.26 176.40 1u13 n GLN 372 N -2.28 -0.06 -0.13 1.61 7.27 -1.26 -0.69 117.38 121.84 1u13 n GLN 372 Ca 0.12 1.09 -0.08 0.00 0.07 0.00 0.00 57.00 58.20 1u13 n GLN 372 Cb 0.51 -1.79 0.07 0.00 2.41 0.00 0.00 30.24 31.44 1u13 n GLN 372 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1u13 h PRO 373 N 0.00 0.89 0.01 3.69 0.11 -1.92 -3.38 132.00 131.41 1u13 h PRO 373 Ca 0.50 -0.32 -0.35 0.00 0.11 0.00 0.00 66.00 65.94 1u13 h PRO 373 Cb 1.13 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1u13 h PRO 373 CO -0.67 0.97 -1.95 0.54 -0.21 0.00 0.00 178.00 176.68 1u13 n ARG 374 N -4.15 0.60 -4.12 1.05 1.74 0.13 -5.01 116.66 106.90 1u13 n ARG 374 Ca 0.01 0.39 -0.33 0.00 -0.77 0.00 0.00 57.85 57.15 1u13 n ARG 374 Cb 0.39 -1.62 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 1u13 n ARG 374 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1u13 n GLN 375 N -4.20 -0.72 0.31 5.56 6.02 -0.41 -4.80 117.38 119.13 1u13 n GLN 375 Ca -0.43 0.05 0.21 0.00 -0.01 0.00 0.00 57.00 56.82 1u13 n GLN 375 Cb 0.82 -2.87 1.03 0.00 1.02 0.00 0.00 30.24 30.24 1u13 n GLN 375 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1u13 h GLU 376 N -1.73 0.00 -0.14 -1.09 5.08 -1.08 -1.27 114.58 114.35 1u13 h GLU 376 Ca -0.62 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.59 1u13 h GLU 376 Cb 1.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1u13 h GLU 376 CO 0.59 0.00 -0.50 0.38 -1.00 0.00 0.00 179.01 178.48 1u13 h ASP 377 N 0.00 0.68 0.80 1.42 2.03 -1.87 -2.74 116.42 116.74 1u13 h ASP 377 Ca 0.00 -0.61 -0.20 0.00 -0.73 0.00 0.00 57.03 55.49 1u13 h ASP 377 Cb 0.17 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.45 1u13 h ASP 377 CO 0.00 1.17 -0.91 -0.07 -1.03 0.00 0.00 179.24 178.40 1u13 h LEU 378 N 0.22 0.09 -0.62 0.15 3.38 -1.81 -3.27 115.31 113.45 1u13 h LEU 378 Ca -0.02 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1u13 h LEU 378 Cb 1.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1u13 h LEU 378 CO 0.11 0.95 -0.55 0.25 0.09 0.00 0.00 178.44 179.29 1u13 h LEU 379 N 0.03 0.45 -6.45 1.67 5.85 -1.31 -3.31 115.31 112.23 1u13 h LEU 379 Ca -0.03 -0.24 -0.77 0.00 0.84 0.00 0.00 57.88 57.68 1u13 h LEU 379 Cb 1.59 -0.13 -0.30 0.00 0.37 0.00 0.00 40.66 42.19 1u13 h LEU 379 CO 0.13 0.91 0.66 0.59 -0.34 0.00 0.00 178.44 180.39 1u13 n ASN 380 N -3.93 6.44 0.17 1.25 3.02 -1.03 -4.87 115.26 116.30 1u13 n ASN 380 Ca -0.03 -3.55 0.18 0.00 -0.03 0.00 0.00 54.58 51.15 1u13 n ASN 380 Cb 0.59 -1.12 0.80 0.00 -0.61 0.00 0.00 39.78 39.44 1u13 n ASN 380 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1u13 h ARG 381 N 4.63 0.00 -0.01 3.52 0.11 -1.71 -1.00 114.38 119.92 1u13 h ARG 381 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1u13 h ARG 381 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1u13 h ARG 381 CO 1.19 0.00 -0.28 0.91 0.10 0.00 0.00 179.97 181.89 1u13 n TRP 382 N -3.79 0.00 0.00 4.08 7.02 -1.26 -4.62 117.44 118.87 1u13 n TRP 382 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1u13 n TRP 382 Cb 0.42 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.31 1u13 n TRP 382 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1u13 n THR 383 N -0.07 0.00 -3.09 -0.99 -2.24 -0.92 -4.71 114.28 102.27 1u13 n THR 383 Ca 0.06 -0.07 -0.45 0.00 -2.27 0.00 0.00 64.05 61.32 1u13 n THR 383 Cb 0.31 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1u13 n THR 383 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1u13 s TRP 384 N -1.88 3.30 -0.32 4.78 -0.00 -0.42 -3.18 118.94 121.21 1u13 s TRP 384 Ca -0.00 -1.49 0.10 0.00 -0.00 0.00 0.00 56.10 54.71 1u13 s TRP 384 Cb 0.00 -4.08 0.46 0.00 -0.00 0.00 0.00 33.47 29.85 1u13 s TRP 384 CO 0.01 -1.30 1.14 0.44 -0.00 0.00 0.00 176.95 177.24 1u13 n ILE 385 N 5.02 2.16 0.24 5.86 -5.35 -1.26 -4.82 119.36 121.20 1u13 n ILE 385 Ca 0.14 -4.07 0.07 0.00 -0.27 0.00 0.00 62.75 58.62 1u13 n ILE 385 Cb 0.47 -0.61 0.57 0.00 -1.74 0.00 0.00 39.64 38.33 1u13 n ILE 385 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1u13 h PRO 386 N 2.41 0.00 -0.61 6.28 0.13 -1.90 -1.29 132.00 137.01 1u13 h PRO 386 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1u13 h PRO 386 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1u13 h PRO 386 CO 0.66 0.13 0.00 1.19 -0.23 0.00 0.00 178.00 179.75 1u13 n PHE 387 N -4.29 1.13 -4.12 1.56 3.72 -1.26 -4.78 117.46 109.41 1u13 n PHE 387 Ca -0.03 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 1u13 n PHE 387 Cb 0.20 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1u13 n PHE 387 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u13 n GLY 388 N 1.13 -1.07 3.76 1.37 0.00 -0.49 -0.75 105.19 109.15 1u13 n GLY 388 Ca 0.23 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1u13 n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u13 s ALA 389 N -1.12 -1.78 0.00 4.61 0.00 -1.26 -4.70 121.76 117.52 1u13 s ALA 389 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1u13 s ALA 389 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1u13 s ALA 389 CO 0.00 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1u13 n GLY 390 N -0.54 0.35 0.23 0.00 0.00 -1.26 -3.37 105.19 100.59 1u13 n GLY 390 Ca -0.06 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 1u13 n GLY 390 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1u13 h ARG 391 N 0.00 0.36 -0.65 1.61 0.11 -1.93 -2.91 114.38 110.97 1u13 h ARG 391 Ca 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1u13 h ARG 391 Cb 0.00 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1u13 h ARG 391 CO 0.00 0.60 0.00 0.72 0.10 0.00 0.00 179.97 181.39 1u13 n HIS 392 N -4.13 0.89 -1.67 4.08 8.25 -1.25 -4.95 115.22 116.44 1u13 n HIS 392 Ca -0.01 -0.33 -0.40 0.00 -0.26 0.00 0.00 57.72 56.72 1u13 n HIS 392 Cb 0.39 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 31.32 1u13 n HIS 392 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1u13 n ARG 393 N 0.42 1.63 -1.58 -0.41 0.63 -1.10 -4.68 116.66 111.57 1u13 n ARG 393 Ca 0.14 0.59 -0.56 0.00 -0.92 0.00 0.00 57.85 57.10 1u13 n ARG 393 Cb 0.60 -2.30 -0.08 0.00 0.45 0.00 0.00 32.46 31.13 1u13 n ARG 393 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u13 h VAL 395 N 5.98 0.00 -0.50 0.00 -1.51 -1.91 -2.89 116.25 115.42 1u13 h VAL 395 Ca -0.37 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1u13 h VAL 395 Cb 1.33 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1u13 h VAL 395 CO 0.99 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.94 1u13 n GLY 396 N 0.42 1.54 0.31 5.19 0.00 -1.26 -4.56 105.19 106.83 1u13 n GLY 396 Ca 0.02 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1u13 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u13 h ALA 397 N 4.11 -0.31 -0.97 4.61 0.00 -1.89 0.25 119.26 125.06 1u13 h ALA 397 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1u13 h ALA 397 Cb 0.77 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1u13 h ALA 397 CO 0.00 -0.76 0.63 0.00 0.00 0.00 0.00 179.25 179.12 1u13 h ALA 398 N 0.51 1.38 -0.21 0.00 0.00 -1.85 -1.41 119.26 117.68 1u13 h ALA 398 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1u13 h ALA 398 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u13 h ALA 398 CO -0.35 0.52 -0.04 0.35 0.00 0.00 0.00 179.25 179.73 1u13 h PHE 399 N 1.21 0.45 -0.75 0.00 3.57 -1.68 -1.60 116.94 118.14 1u13 h PHE 399 Ca 0.39 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1u13 h PHE 399 Cb 0.02 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1u13 h PHE 399 CO -0.00 0.63 0.45 0.00 -2.23 0.00 0.00 178.31 177.17 1u13 h ALA 400 N 0.75 1.39 -0.34 2.41 0.00 -0.11 0.90 119.26 124.27 1u13 h ALA 400 Ca 0.05 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1u13 h ALA 400 Cb 0.48 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1u13 h ALA 400 CO 0.02 0.53 -0.38 0.82 0.00 0.00 0.00 179.25 180.23 1u13 h ILE 401 N 1.03 1.28 -0.69 0.00 2.04 -1.19 -2.12 117.51 117.86 1u13 h ILE 401 Ca 0.27 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1u13 h ILE 401 Cb -0.05 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1u13 h ILE 401 CO -0.05 0.51 0.40 -0.03 0.00 0.00 0.00 178.15 178.98 1u13 h MET 402 N 0.65 0.95 -0.67 2.37 4.05 -0.68 -1.89 114.93 119.71 1u13 h MET 402 Ca 0.05 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1u13 h MET 402 Cb 0.97 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.55 1u13 h MET 402 CO 0.09 0.70 0.41 0.37 0.23 0.00 0.00 176.91 178.70 1u13 h GLN 403 N 0.94 0.90 -0.40 0.39 4.15 -0.67 0.12 115.11 120.54 1u13 h GLN 403 Ca 0.24 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1u13 h GLN 403 Cb 0.01 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1u13 h GLN 403 CO -0.04 0.64 0.18 0.82 -1.93 0.00 0.00 178.83 178.49 1u13 h ILE 404 N 0.90 1.19 -0.47 2.39 1.08 -1.13 0.14 117.51 121.61 1u13 h ILE 404 Ca 0.24 -0.56 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1u13 h ILE 404 Cb -0.04 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1u13 h ILE 404 CO -0.05 0.21 0.30 0.11 -0.69 0.00 0.00 178.15 178.03 1u13 h LYS 405 N 0.51 0.58 -0.07 2.37 1.57 -0.87 -0.82 116.57 119.84 1u13 h LYS 405 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1u13 h LYS 405 Cb 0.16 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1u13 h LYS 405 CO -0.01 0.39 -0.00 0.00 -0.57 0.00 0.00 179.45 179.25 1u13 h ALA 406 N 1.19 0.10 -0.02 3.86 0.00 -0.50 -1.24 119.26 122.65 1u13 h ALA 406 Ca 0.18 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1u13 h ALA 406 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1u13 h ALA 406 CO -0.06 -0.22 -0.12 0.82 0.00 0.00 0.00 179.25 179.67 1u13 h ILE 407 N -0.17 0.70 0.00 0.00 2.04 -0.58 -2.84 117.51 116.66 1u13 h ILE 407 Ca 0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 1u13 h ILE 407 Cb 0.36 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1u13 h ILE 407 CO 0.00 0.00 -0.43 -0.26 0.00 0.00 0.00 178.15 177.46 1u13 h PHE 408 N -0.19 0.00 -0.15 1.37 -1.00 -1.19 -1.37 116.94 114.41 1u13 h PHE 408 Ca 0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1u13 h PHE 408 Cb 0.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1u13 h PHE 408 CO -0.19 0.43 0.04 0.77 -1.61 0.00 0.00 178.31 177.76 1u13 h SER 409 N 0.00 0.18 0.00 2.17 0.02 -1.03 -0.44 113.55 114.44 1u13 h SER 409 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1u13 h SER 409 Cb 1.05 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1u13 h SER 409 CO 0.06 0.18 -0.04 0.58 -1.14 0.00 0.00 176.83 176.47 1u13 h VAL 410 N 0.20 0.00 -0.33 2.27 2.07 -1.25 -3.31 116.25 115.90 1u13 h VAL 410 Ca 0.05 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1u13 h VAL 410 Cb 0.07 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.77 1u13 h VAL 410 CO -0.00 0.00 -0.16 -0.07 0.02 0.00 0.00 177.57 177.36 1u13 h LEU 411 N -0.80 -0.54 -1.56 2.57 3.38 -1.18 -2.15 115.31 115.03 1u13 h LEU 411 Ca 0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1u13 h LEU 411 Cb 0.04 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1u13 h LEU 411 CO 0.00 -0.19 -0.07 -0.07 0.09 0.00 0.00 178.44 178.19 1u13 h LEU 412 N -0.11 0.00 0.00 1.67 3.38 -1.27 0.55 115.31 119.53 1u13 h LEU 412 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1u13 h LEU 412 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1u13 h LEU 412 CO -0.40 0.07 -1.09 0.54 0.09 0.00 0.00 178.44 177.66 1u13 n ARG 413 N -3.24 0.60 -0.08 1.13 1.74 -1.02 -4.35 116.66 111.45 1u13 n ARG 413 Ca -0.00 0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.96 1u13 n ARG 413 Cb 0.31 -1.80 -0.12 0.00 -1.02 0.00 0.00 32.46 29.83 1u13 n ARG 413 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1u13 n GLU 414 N -2.63 0.68 -4.32 5.56 -0.58 -0.84 -4.76 120.64 113.75 1u13 n GLU 414 Ca -0.00 0.25 -0.18 0.00 -0.42 0.00 0.00 57.16 56.82 1u13 n GLU 414 Cb 0.55 -1.61 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 1u13 n GLU 414 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1u13 s TYR 415 N -2.52 1.60 -0.10 -0.32 1.51 0.16 -1.23 117.35 116.46 1u13 s TYR 415 Ca -0.30 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.14 1u13 s TYR 415 Cb 0.08 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 41.15 1u13 s TYR 415 CO 0.65 0.29 -0.06 -1.21 -1.11 0.00 0.00 175.55 174.11 1u13 s GLU 416 N -3.59 3.08 0.12 -0.62 2.02 0.63 -4.35 118.70 115.99 1u13 s GLU 416 Ca 0.20 -0.53 0.09 0.00 0.02 0.00 0.00 54.97 54.75 1u13 s GLU 416 Cb -0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1u13 s GLU 416 CO 0.05 0.52 -0.18 -0.06 0.02 0.00 0.00 175.26 175.61 1u13 s PHE 417 N -0.41 2.54 -0.04 1.61 0.40 -1.26 -1.58 117.98 119.25 1u13 s PHE 417 Ca 0.06 -0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 56.05 1u13 s PHE 417 Cb -0.12 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1u13 s PHE 417 CO 0.02 0.39 0.20 -1.21 0.70 0.00 0.00 175.22 175.32 1u13 s GLU 418 N -2.14 0.38 0.24 0.44 2.02 -0.32 -4.94 118.70 114.37 1u13 s GLU 418 Ca 0.18 0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.88 1u13 s GLU 418 Cb -0.11 0.17 -0.09 0.00 0.10 0.00 0.00 34.13 34.20 1u13 s GLU 418 CO 0.10 -0.08 1.23 -1.64 0.02 0.00 0.00 175.26 174.90 1u13 s MET 419 N -0.56 4.46 0.00 1.61 -1.94 -1.26 -0.46 119.30 121.16 1u13 s MET 419 Ca -0.07 1.99 0.22 0.00 -1.71 0.00 0.00 55.69 56.12 1u13 s MET 419 Cb -0.04 -3.18 0.35 0.00 2.01 0.00 0.00 34.83 33.97 1u13 s MET 419 CO 0.01 -0.09 1.32 0.00 -0.01 0.00 0.00 175.02 176.25 1u13 n ALA 420 N 1.86 2.42 -2.51 3.03 0.00 -0.85 -4.77 120.51 119.69 1u13 n ALA 420 Ca 0.03 -0.92 -0.11 0.00 0.00 0.00 0.00 53.44 52.43 1u13 n ALA 420 Cb 0.43 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 1u13 n ALA 420 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1u13 s GLN 421 N -1.49 1.30 0.27 0.00 -2.07 -1.26 -4.98 119.66 111.44 1u13 s GLN 421 Ca 0.34 -1.51 -0.30 0.00 -1.82 0.00 0.00 55.36 52.07 1u13 s GLN 421 Cb 0.21 0.33 -0.13 0.00 -1.09 0.00 0.00 33.01 32.32 1u13 s GLN 421 CO 0.29 -0.47 1.27 -2.30 -1.32 0.00 0.00 175.29 172.77 1u13 n PRO 422 N -0.30 1.86 -0.30 9.60 -0.02 -1.26 -4.85 135.00 139.72 1u13 n PRO 422 Ca 0.01 0.66 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1u13 n PRO 422 Cb 0.65 -2.22 0.41 0.00 -0.02 0.00 0.00 33.50 32.32 1u13 n PRO 422 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1u13 h PRO 423 N 3.19 0.58 0.00 0.52 0.11 -1.99 -0.14 132.00 134.28 1u13 h PRO 423 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u13 h PRO 423 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1u13 h PRO 423 CO 0.68 0.39 0.00 0.39 -0.21 0.00 0.00 178.00 179.25 1u13 n GLU 424 N -4.63 0.17 0.15 1.05 4.71 -1.26 -3.48 120.64 117.35 1u13 n GLU 424 Ca 0.21 0.22 0.13 0.00 -0.01 0.00 0.00 57.16 57.71 1u13 n GLU 424 Cb 0.63 -1.73 0.42 0.00 -1.01 0.00 0.00 31.44 29.74 1u13 n GLU 424 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u13 h SER 425 N 0.00 0.00 -3.12 1.62 4.64 -1.36 -3.43 113.55 111.90 1u13 h SER 425 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1u13 h SER 425 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1u13 h SER 425 CO 0.00 0.00 0.67 -0.31 -0.87 0.00 0.00 176.83 176.32 1u13 s TYR 426 N -3.23 3.25 0.22 4.77 1.51 -1.23 -4.99 117.35 117.66 1u13 s TYR 426 Ca 0.07 1.26 -0.18 0.00 -1.01 0.00 0.00 57.07 57.21 1u13 s TYR 426 Cb 0.10 -3.40 0.03 0.00 -0.11 0.00 0.00 41.96 38.58 1u13 s TYR 426 CO 0.54 -1.20 0.58 -0.98 -1.11 0.00 0.00 175.55 173.38 1u13 s ARG 427 N 2.04 1.50 0.36 -0.62 1.70 -1.26 -5.08 118.95 117.59 1u13 s ARG 427 Ca 0.56 -0.91 0.01 0.00 -0.47 0.00 0.00 55.73 54.91 1u13 s ARG 427 Cb -0.25 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1u13 s ARG 427 CO 0.23 -0.65 0.56 -0.80 -1.08 0.00 0.00 175.30 173.56 1u13 s ASN 428 N -2.89 6.21 -0.25 -2.89 0.01 -1.26 0.30 114.94 114.17 1u13 s ASN 428 Ca 0.11 0.39 -0.07 0.00 -0.71 0.00 0.00 52.86 52.58 1u13 s ASN 428 Cb -0.02 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 1u13 s ASN 428 CO 0.00 -0.36 0.05 -0.62 -1.51 0.00 0.00 177.10 174.67 1u13 s ASP 429 N -4.07 5.00 -0.21 -1.22 -1.08 0.15 -4.58 116.67 110.66 1u13 s ASP 429 Ca 0.41 -0.30 0.15 0.00 -0.52 0.00 0.00 52.55 52.30 1u13 s ASP 429 Cb -0.10 -1.89 0.58 0.00 -1.46 0.00 0.00 42.92 40.05 1u13 s ASP 429 CO 0.36 -0.05 1.50 1.41 0.52 0.00 0.00 175.17 178.90 1u13 n HIS 430 N 4.90 1.22 0.63 -5.34 8.25 -1.26 -2.89 115.22 120.72 1u13 n HIS 430 Ca -0.16 -0.99 0.12 0.00 -0.26 0.00 0.00 57.72 56.44 1u13 n HIS 430 Cb 0.51 -0.39 0.46 0.00 1.12 0.00 0.00 29.99 31.68 1u13 n HIS 430 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1u13 n SER 431 N -0.45 0.57 -4.41 0.41 3.41 -1.25 -4.66 113.62 107.24 1u13 n SER 431 Ca 0.25 0.58 -0.25 0.00 -0.26 0.00 0.00 58.87 59.20 1u13 n SER 431 Cb 0.99 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 1u13 n SER 431 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1u13 s LYS 432 N -3.13 1.50 0.47 4.33 -0.14 -1.26 -4.46 119.74 117.04 1u13 s LYS 432 Ca 0.09 -1.57 0.14 0.00 -1.36 0.00 0.00 55.97 53.28 1u13 s LYS 432 Cb 0.13 -1.68 1.11 0.00 -1.68 0.00 0.00 37.83 35.70 1u13 s LYS 432 CO 0.51 0.34 2.06 0.52 -0.76 0.00 0.00 175.35 178.02 1u13 h MET 433 N 2.93 0.26 -5.47 1.68 2.86 -0.92 -3.35 114.93 112.92 1u13 h MET 433 Ca -0.43 -0.02 -0.64 0.00 -2.06 0.00 0.00 59.70 56.55 1u13 h MET 433 Cb 1.22 -0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.68 1u13 h MET 433 CO 0.52 0.17 0.15 0.08 1.06 0.00 0.00 176.91 178.90 1u13 s VAL 434 N -5.27 4.84 0.29 -2.22 1.01 -1.26 -4.92 120.40 112.86 1u13 s VAL 434 Ca -0.07 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 1u13 s VAL 434 Cb 0.18 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1u13 s VAL 434 CO 0.72 -0.49 1.10 -0.69 0.00 0.00 0.00 175.10 175.73 1u13 s VAL 435 N 2.81 3.48 0.03 2.92 1.01 -1.26 -4.93 120.40 124.47 1u13 s VAL 435 Ca 0.24 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.71 1u13 s VAL 435 Cb -0.14 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1u13 s VAL 435 CO 0.18 0.34 -0.07 -1.10 0.00 0.00 0.00 175.10 174.45 1u13 s GLN 436 N -1.51 0.48 0.42 2.72 -1.52 -1.14 -4.93 119.66 114.18 1u13 s GLN 436 Ca 0.45 -0.59 -0.26 0.00 -1.95 0.00 0.00 55.36 53.01 1u13 s GLN 436 Cb -0.32 -0.30 -0.09 0.00 -0.22 0.00 0.00 33.01 32.09 1u13 s GLN 436 CO 0.41 0.06 1.36 -1.17 -0.25 0.00 0.00 175.29 175.70 1u13 s LEU 437 N -1.18 4.18 0.46 2.90 2.96 -1.26 0.32 118.68 127.05 1u13 s LEU 437 Ca -0.07 2.78 -0.11 0.00 -0.22 0.00 0.00 54.13 56.51 1u13 s LEU 437 Cb -0.08 -3.91 -0.06 0.00 0.50 0.00 0.00 46.19 42.65 1u13 s LEU 437 CO 0.00 -0.99 0.84 0.00 -1.32 0.00 0.00 176.35 174.88 1u13 s ALA 438 N -1.23 3.28 0.11 5.97 0.00 0.15 -4.59 121.76 125.44 1u13 s ALA 438 Ca 0.58 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.46 1u13 s ALA 438 Cb -0.41 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1u13 s ALA 438 CO 0.53 -0.18 -0.13 -0.65 0.00 0.00 0.00 175.76 175.33 1u13 s GLN 439 N -4.17 1.99 0.59 0.00 -0.21 -1.26 -4.26 119.66 112.35 1u13 s GLN 439 Ca 0.52 -1.08 -0.15 0.00 0.02 0.00 0.00 55.36 54.67 1u13 s GLN 439 Cb -0.10 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1u13 s GLN 439 CO 0.36 0.50 1.05 -1.25 -2.12 0.00 0.00 175.29 173.82 1u13 s PRO 440 N -2.17 3.38 -0.38 2.91 0.04 -1.26 -5.12 135.00 132.41 1u13 s PRO 440 Ca 0.20 1.13 0.12 0.00 0.04 0.00 0.00 61.00 62.48 1u13 s PRO 440 Cb -0.11 -2.04 0.36 0.00 0.04 0.00 0.00 34.50 32.74 1u13 s PRO 440 CO 0.12 -0.76 0.81 0.00 0.04 0.00 0.00 177.00 177.21 1u13 n ALA 441 N -2.10 1.77 -2.29 8.56 0.00 -1.26 -4.84 120.51 120.35 1u13 n ALA 441 Ca 0.08 -3.11 -0.42 0.00 0.00 0.00 0.00 53.44 50.00 1u13 n ALA 441 Cb 0.53 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1u13 n ALA 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u13 s ALA 442 N -2.12 3.44 -0.01 0.00 0.00 -1.26 -1.44 121.76 120.36 1u13 s ALA 442 Ca 0.36 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1u13 s ALA 442 Cb 0.35 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 20.03 1u13 s ALA 442 CO -0.07 -0.45 -0.03 0.08 0.00 0.00 0.00 175.76 175.30 1u13 s VAL 443 N 0.79 0.29 0.08 0.00 1.01 -0.07 -2.01 120.40 120.49 1u13 s VAL 443 Ca 0.58 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 1u13 s VAL 443 Cb -0.31 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1u13 s VAL 443 CO 0.31 0.11 0.30 -0.13 0.00 0.00 0.00 175.10 175.70 1u13 s ARG 444 N 0.26 3.57 0.11 2.72 0.52 0.40 -0.82 118.95 125.71 1u13 s ARG 444 Ca -0.03 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1u13 s ARG 444 Cb -0.06 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1u13 s ARG 444 CO -0.01 0.56 -0.08 1.52 0.02 0.00 0.00 175.30 177.31 1u13 s TYR 445 N -1.51 1.02 -0.20 -0.53 -0.85 -0.64 -1.18 117.35 113.47 1u13 s TYR 445 Ca 0.35 -0.79 -0.17 0.00 -0.52 0.00 0.00 57.07 55.94 1u13 s TYR 445 Cb -0.13 -0.56 0.06 0.00 0.38 0.00 0.00 41.96 41.71 1u13 s TYR 445 CO 0.23 -0.05 0.52 0.50 -1.52 0.00 0.00 175.55 175.23 1u13 s ARG 446 N -3.47 0.59 0.33 -3.49 3.52 -0.61 -2.19 118.95 113.63 1u13 s ARG 446 Ca 0.11 0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 56.21 1u13 s ARG 446 Cb 0.02 0.23 -0.12 0.00 -1.56 0.00 0.00 34.95 33.52 1u13 s ARG 446 CO -0.02 -0.09 1.38 0.54 -0.81 0.00 0.00 175.30 176.30 1u13 n ARG 447 N 3.18 2.31 -2.36 5.12 1.74 -0.28 -0.27 116.66 126.10 1u13 n ARG 447 Ca -0.16 0.81 -0.33 0.00 -0.77 0.00 0.00 57.85 57.41 1u13 n ARG 447 Cb 0.56 -2.46 -0.02 0.00 -1.02 0.00 0.00 32.46 29.52 1u13 n ARG 447 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1u13 s ARG 448 N -1.64 3.76 0.00 5.56 0.52 -0.36 -4.75 118.95 122.04 1u13 s ARG 448 Ca 0.57 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 1u13 s ARG 448 Cb -0.55 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1u13 s ARG 448 CO 0.60 -0.44 0.00 2.41 0.02 0.00 0.00 175.30 177.89