#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1f s TRP 3 N 0.00 3.40 0.49 0.00 0.51 -1.26 -5.05 118.94 117.03 3i1f s TRP 3 Ca 0.00 1.38 -0.20 0.00 -2.12 0.00 0.00 56.10 55.16 3i1f s TRP 3 Cb 0.00 -2.70 -0.08 0.00 -0.81 0.00 0.00 33.47 29.88 3i1f s TRP 3 CO 0.00 -0.17 1.05 -2.14 -0.51 0.00 0.00 176.95 175.18 3i1f s PRO 4 N -3.60 3.75 -0.33 4.98 0.02 -1.26 -4.94 135.00 133.62 3i1f s PRO 4 Ca 0.57 1.41 -0.02 0.00 0.02 0.00 0.00 61.00 62.98 3i1f s PRO 4 Cb -0.10 -2.10 0.17 0.00 0.02 0.00 0.00 34.50 32.49 3i1f s PRO 4 CO 0.24 -0.48 2.21 0.36 -0.33 0.00 0.00 177.00 178.99 3i1f n LYS 5 N -0.98 1.91 -0.95 5.54 2.85 -1.26 -4.96 118.16 120.31 3i1f n LYS 5 Ca 0.09 -1.67 -0.30 0.00 -1.05 0.00 0.00 58.31 55.38 3i1f n LYS 5 Cb 0.52 -1.71 0.25 0.00 -0.65 0.00 0.00 35.03 33.44 3i1f n LYS 5 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3i1f s VAL 6 N -2.16 1.48 0.43 0.58 -7.23 -1.26 -4.99 120.40 107.26 3i1f s VAL 6 Ca 0.37 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.49 3i1f s VAL 6 Cb 0.27 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 3i1f s VAL 6 CO -0.05 0.00 0.71 0.00 -0.31 0.00 0.00 175.10 175.46 3i1f s GLN 7 N -5.40 3.55 -0.38 4.82 -2.07 -1.26 -4.99 119.66 113.94 3i1f s GLN 7 Ca 0.71 0.08 -0.28 0.00 -1.82 0.00 0.00 55.36 54.06 3i1f s GLN 7 Cb -0.09 -2.46 -0.07 0.00 -1.09 0.00 0.00 33.01 29.30 3i1f s GLN 7 CO 0.56 -0.08 2.33 -2.30 -1.32 0.00 0.00 175.29 174.48 3i1f n PRO 8 N -1.99 1.40 0.18 9.60 -0.02 -1.26 -4.65 135.00 138.26 3i1f n PRO 8 Ca -0.01 0.24 0.16 0.00 -2.02 0.00 0.00 63.50 61.87 3i1f n PRO 8 Cb 0.55 -3.24 0.77 0.00 -0.02 0.00 0.00 33.50 31.55 3i1f n PRO 8 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i1f h GLU 9 N 17.05 0.00 -4.35 -0.52 3.07 -1.50 -3.22 114.58 125.12 3i1f h GLU 9 Ca -0.31 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.37 3i1f h GLU 9 Cb 1.26 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.03 3i1f h GLU 9 CO 1.07 0.00 -0.53 0.08 -1.40 0.00 0.00 179.01 178.23 3i1f s VAL 10 N -4.81 0.04 -0.14 3.13 1.01 -1.23 -4.53 120.40 113.87 3i1f s VAL 10 Ca -0.05 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.10 3i1f s VAL 10 Cb 0.17 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.32 3i1f s VAL 10 CO 0.61 -0.17 -0.13 0.20 0.00 0.00 0.00 175.10 175.62 3i1f s ASN 11 N -3.09 2.55 -0.19 3.32 0.02 -1.26 -2.87 114.94 113.41 3i1f s ASN 11 Ca 0.30 -0.44 -0.04 0.00 -1.02 0.00 0.00 52.86 51.66 3i1f s ASN 11 Cb 0.06 -1.09 -0.02 0.00 0.02 0.00 0.00 41.25 40.22 3i1f s ASN 11 CO 0.07 -0.07 -0.04 0.27 0.02 0.00 0.00 177.10 177.36 3i1f s ILE 12 N 1.53 3.62 -0.30 0.60 -0.00 -0.30 0.06 121.20 126.41 3i1f s ILE 12 Ca 0.05 -0.43 -0.21 0.00 -0.00 0.00 0.00 60.65 60.06 3i1f s ILE 12 Cb -0.13 -2.62 -0.01 0.00 -0.00 0.00 0.00 42.46 39.70 3i1f s ILE 12 CO -0.10 0.45 0.65 -0.83 -0.00 0.00 0.00 174.94 175.10 3i1f s GLY 13 N 1.02 1.77 -0.93 6.27 0.00 0.10 -1.96 107.32 113.60 3i1f s GLY 13 Ca 0.01 -0.59 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 3i1f s GLY 13 CO 0.01 1.49 1.08 0.14 0.00 0.00 0.00 173.10 175.82 3i1f s VAL 14 N 2.63 4.94 -0.10 1.40 1.01 0.34 0.11 120.40 130.74 3i1f s VAL 14 Ca 0.26 -1.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 3i1f s VAL 14 Cb -0.15 -4.73 -0.01 0.00 0.00 0.00 0.00 36.38 31.49 3i1f s VAL 14 CO 0.11 -1.42 1.04 0.54 0.00 0.00 0.00 175.10 175.37 3i1f s VAL 15 N 2.07 4.70 0.00 2.92 0.11 -1.01 -4.49 120.40 124.71 3i1f s VAL 15 Ca 0.30 1.98 0.00 0.00 -2.93 0.00 0.00 61.98 61.33 3i1f s VAL 15 Cb -0.06 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 3i1f s VAL 15 CO -0.09 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 3i1f n GLY 16 N 3.13 2.23 0.00 6.54 0.00 -1.26 -3.18 105.19 112.66 3i1f n GLY 16 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3i1f n GLY 16 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i1f n HIS 17 N -0.55 0.00 -1.72 1.61 1.44 -1.26 -4.63 115.22 110.12 3i1f n HIS 17 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 3i1f n HIS 17 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3i1f n HIS 17 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 3i1f n VAL 18 N 0.00 0.29 -1.25 0.61 3.14 -0.96 -1.01 118.33 119.16 3i1f n VAL 18 Ca 0.00 -0.07 -0.08 0.00 -2.96 0.00 0.00 64.34 61.22 3i1f n VAL 18 Cb 0.00 -1.90 -0.04 0.00 -1.06 0.00 0.00 33.84 30.85 3i1f n VAL 18 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i1f n ASP 19 N 3.37 -4.77 -0.93 6.55 8.00 -1.26 -4.86 116.55 122.66 3i1f n ASP 19 Ca 0.14 0.21 0.05 0.00 0.71 0.00 0.00 54.79 55.90 3i1f n ASP 19 Cb 0.34 -3.01 0.19 0.00 -0.02 0.00 0.00 41.12 38.62 3i1f n ASP 19 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3i1f n HIS 20 N -2.50 0.76 -2.80 1.24 8.25 -0.18 -4.92 115.22 115.06 3i1f n HIS 20 Ca -0.08 -0.31 -0.13 0.00 -0.26 0.00 0.00 57.72 56.93 3i1f n HIS 20 Cb 0.40 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 3i1f n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1f n GLY 21 N 0.81 -0.49 0.26 -1.41 0.00 -1.26 -4.73 105.19 98.36 3i1f n GLY 21 Ca 0.14 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3i1f n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1f h LYS 22 N -0.30 -0.56 -0.80 1.61 6.56 -1.91 -0.67 116.57 120.50 3i1f h LYS 22 Ca -0.26 0.04 0.19 0.00 -1.06 0.00 0.00 60.65 59.55 3i1f h LYS 22 Cb 1.18 0.13 -0.12 0.00 -0.57 0.00 0.00 32.23 32.85 3i1f h LYS 22 CO 0.32 -0.37 0.22 1.15 -2.06 0.00 0.00 179.45 178.71 3i1f h THR 23 N -1.14 0.46 0.01 -0.16 2.02 -1.88 -0.56 112.91 111.66 3i1f h THR 23 Ca -0.06 -0.10 -0.20 0.00 0.77 0.00 0.00 66.41 66.83 3i1f h THR 23 Cb 0.44 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3i1f h THR 23 CO 0.10 0.05 -0.89 0.74 0.37 0.00 0.00 175.52 175.89 3i1f h THR 24 N 0.28 1.51 -0.08 3.16 2.02 -1.95 -2.33 112.91 115.52 3i1f h THR 24 Ca 0.47 -2.67 -0.03 0.00 0.77 0.00 0.00 66.41 64.95 3i1f h THR 24 Cb 0.85 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 69.76 3i1f h THR 24 CO -0.55 0.78 -0.08 0.25 0.37 0.00 0.00 175.52 176.28 3i1f h LEU 25 N 0.10 0.21 -0.24 2.58 6.46 -0.22 -1.06 115.31 123.14 3i1f h LEU 25 Ca -0.04 -0.49 0.05 0.00 -0.12 0.00 0.00 57.88 57.27 3i1f h LEU 25 Cb 1.53 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 41.35 3i1f h LEU 25 CO 0.14 0.66 -0.07 0.58 -0.62 0.00 0.00 178.44 179.12 3i1f h VAL 26 N -0.23 0.73 -0.93 1.05 2.07 -1.19 0.28 116.25 118.02 3i1f h VAL 26 Ca 0.01 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.78 3i1f h VAL 26 Cb 0.60 0.73 -0.13 0.00 -1.52 0.00 0.00 31.29 30.97 3i1f h VAL 26 CO 0.02 0.00 0.44 1.56 0.02 0.00 0.00 177.57 179.61 3i1f h GLN 27 N -0.02 0.39 -0.25 1.57 1.08 -1.34 0.29 115.11 116.82 3i1f h GLN 27 Ca 0.12 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3i1f h GLN 27 Cb 0.20 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3i1f h GLN 27 CO -0.26 0.26 0.01 0.00 -0.95 0.00 0.00 178.83 177.89 3i1f h ALA 28 N 1.75 1.57 0.04 3.87 0.00 0.43 0.65 119.26 127.56 3i1f h ALA 28 Ca 0.60 -0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.99 3i1f h ALA 28 Cb 1.20 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3i1f h ALA 28 CO -0.55 0.32 -2.30 -0.89 0.00 0.00 0.00 179.25 175.83 3i1f n ILE 29 N -4.35 1.59 0.10 0.00 5.41 -0.51 -4.49 119.36 117.11 3i1f n ILE 29 Ca 0.01 -0.59 0.07 0.00 1.00 0.00 0.00 62.75 63.23 3i1f n ILE 29 Cb 0.19 -1.54 -0.00 0.00 -0.71 0.00 0.00 39.64 37.57 3i1f n ILE 29 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3i1f h THR 30 N -0.00 0.23 0.00 1.39 1.35 -0.46 -3.46 112.91 111.97 3i1f h THR 30 Ca -0.53 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 3i1f h THR 30 Cb 1.94 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 3i1f h THR 30 CO -0.04 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 3i1f n GLY 31 N 1.24 2.44 3.28 5.82 0.00 0.22 -4.97 105.19 113.23 3i1f n GLY 31 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3i1f n GLY 31 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1f s ILE 32 N -2.98 0.07 0.19 -0.61 -4.36 -1.25 -4.98 121.20 107.29 3i1f s ILE 32 Ca 0.00 -0.55 -0.14 0.00 -0.26 0.00 0.00 60.65 59.70 3i1f s ILE 32 Cb 0.00 -0.89 0.01 0.00 1.25 0.00 0.00 42.46 42.83 3i1f s ILE 32 CO 0.00 -0.30 0.44 0.86 0.24 0.00 0.00 174.94 176.18 3i1f s TRP 33 N -2.27 0.12 -0.22 1.37 -0.11 -1.26 -4.29 118.94 112.28 3i1f s TRP 33 Ca -0.07 -0.48 -0.01 0.00 1.22 0.00 0.00 56.10 56.76 3i1f s TRP 33 Cb -0.02 0.22 0.02 0.00 -1.50 0.00 0.00 33.47 32.19 3i1f s TRP 33 CO -0.01 -0.87 -0.10 -0.08 -4.62 0.00 0.00 176.95 171.27 3i1f s THR 34 N -3.93 2.74 0.00 5.86 -1.32 -1.26 -4.82 115.64 112.91 3i1f s THR 34 Ca 0.14 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 3i1f s THR 34 Cb 0.00 -2.29 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 3i1f s THR 34 CO 0.00 0.36 0.00 -1.20 -2.21 0.00 0.00 174.62 171.57 3i1f n SER 35 N 4.68 0.00 0.05 8.08 7.64 -1.26 -4.87 113.62 127.95 3i1f n SER 35 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3i1f n SER 35 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3i1f n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3i1f n LYS 36 N 0.00 0.00 -4.01 1.43 4.76 -1.26 -5.02 118.16 114.05 3i1f n LYS 36 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3i1f n LYS 36 Cb 0.00 -0.31 -0.15 0.00 -1.84 0.00 0.00 35.03 32.73 3i1f n LYS 36 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3i1f s HIS 37 N -1.77 3.06 0.79 2.13 3.76 -1.26 -5.12 115.29 116.87 3i1f s HIS 37 Ca 0.00 -1.75 -0.12 0.00 -0.15 0.00 0.00 55.06 53.04 3i1f s HIS 37 Cb 0.00 -2.01 0.07 0.00 1.11 0.00 0.00 32.58 31.75 3i1f s HIS 37 CO 0.00 -0.78 1.16 -1.12 -0.85 0.00 0.00 174.74 173.15 3i1f s SER 38 N 1.27 4.64 -0.42 1.40 0.01 -1.26 -4.63 113.70 114.71 3i1f s SER 38 Ca -0.01 0.89 -0.29 0.00 1.31 0.00 0.00 55.95 57.85 3i1f s SER 38 Cb -0.17 -1.46 -0.08 0.00 0.21 0.00 0.00 66.02 64.52 3i1f s SER 38 CO -0.06 -1.83 2.34 -0.62 0.41 0.00 0.00 173.24 173.48 3i1f n GLU 39 N -3.29 1.25 -1.41 12.44 1.02 -1.26 -4.85 120.64 124.55 3i1f n GLU 39 Ca 0.08 0.22 -0.44 0.00 -0.02 0.00 0.00 57.16 57.00 3i1f n GLU 39 Cb 0.60 -3.04 -0.01 0.00 -0.02 0.00 0.00 31.44 28.97 3i1f n GLU 39 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i1f n GLU 40 N 8.74 0.33 0.00 3.49 -0.58 -1.26 -0.41 120.64 130.95 3i1f n GLU 40 Ca 0.38 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 3i1f n GLU 40 Cb 0.41 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 3i1f n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3i1f n LEU 41 N 1.76 0.00 -1.22 -4.62 4.77 -1.26 -4.02 117.00 112.40 3i1f n LEU 41 Ca 0.13 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.16 3i1f n LEU 41 Cb 0.35 -0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.67 3i1f n LEU 41 CO 0.56 0.00 0.63 0.29 -1.33 0.00 0.00 177.39 177.54 3i1f n LYS 42 N -1.95 3.06 -1.61 3.23 5.02 0.45 -4.32 118.16 122.04 3i1f n LYS 42 Ca 0.00 -1.83 -0.15 0.00 -2.02 0.00 0.00 58.31 54.31 3i1f n LYS 42 Cb 0.00 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.08 3i1f n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i1f s ARG 43 N -1.91 1.31 0.00 1.97 0.52 -1.26 -4.27 118.95 115.31 3i1f s ARG 43 Ca 0.32 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 3i1f s ARG 43 Cb 0.23 -4.94 0.00 0.00 0.52 0.00 0.00 34.95 30.76 3i1f s ARG 43 CO 0.12 -5.22 0.00 0.41 0.02 0.00 0.00 175.30 170.63 3i1f n GLY 44 N 6.31 0.00 3.34 -3.53 0.00 -1.26 -5.05 105.19 105.00 3i1f n GLY 44 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 3i1f n GLY 44 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3i1f s MET 45 N -0.91 3.40 3.57 1.61 0.23 -1.26 -4.07 119.30 121.87 3i1f s MET 45 Ca 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 55.69 54.02 3i1f s MET 45 Cb 0.00 -2.84 0.00 0.00 -1.53 0.00 0.00 34.83 30.46 3i1f s MET 45 CO 0.00 0.00 0.00 2.41 -2.03 0.00 0.00 175.02 175.40 3i1f n THR 46 N 4.18 0.00 -0.02 3.16 -1.04 -1.26 -4.98 114.28 114.32 3i1f n THR 46 Ca -0.18 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 3i1f n THR 46 Cb 0.52 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.92 3i1f n THR 46 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3i1f h ILE 47 N 0.00 1.48 -1.34 12.58 1.08 -1.98 -3.46 117.51 125.86 3i1f h ILE 47 Ca 0.00 -1.88 -0.73 0.00 -0.39 0.00 0.00 64.86 61.86 3i1f h ILE 47 Cb 0.00 2.57 0.05 0.00 -3.07 0.00 0.00 36.82 36.37 3i1f h ILE 47 CO 0.00 0.53 0.22 2.29 -0.69 0.00 0.00 178.15 180.50 3i1f n LYS 48 N -4.42 0.55 -1.29 2.37 2.85 -1.26 -4.81 118.16 112.15 3i1f n LYS 48 Ca -0.09 0.20 -0.36 0.00 -1.05 0.00 0.00 58.31 57.01 3i1f n LYS 48 Cb 0.53 -1.75 0.09 0.00 -0.65 0.00 0.00 35.03 33.25 3i1f n LYS 48 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i1f n LEU 49 N 1.98 2.66 -4.45 -5.58 4.32 -1.26 -4.64 117.00 110.03 3i1f n LEU 49 Ca 0.19 0.63 -0.39 0.00 -0.02 0.00 0.00 56.01 56.42 3i1f n LEU 49 Cb 0.14 -1.35 0.03 0.00 -1.62 0.00 0.00 43.42 40.62 3i1f n LEU 49 CO 0.61 -2.38 0.03 0.61 -1.22 0.00 0.00 177.39 175.04 3i1f n GLY 50 N 1.23 -1.59 3.20 -0.72 0.00 0.19 -4.70 105.19 102.79 3i1f n GLY 50 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3i1f n GLY 50 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i1f s TYR 51 N -1.70 -0.08 -0.29 1.61 6.14 -1.24 -2.27 117.35 119.50 3i1f s TYR 51 Ca 0.67 0.07 -0.19 0.00 0.64 0.00 0.00 57.07 58.25 3i1f s TYR 51 Cb -0.47 0.04 0.15 0.00 0.42 0.00 0.00 41.96 42.11 3i1f s TYR 51 CO 0.56 -0.38 1.09 0.00 0.64 0.00 0.00 175.55 177.46 3i1f s ALA 52 N -1.59 -2.25 0.50 3.97 0.00 -1.18 -4.54 121.76 116.68 3i1f s ALA 52 Ca -0.12 2.03 0.06 0.00 0.00 0.00 0.00 51.96 53.93 3i1f s ALA 52 Cb -0.05 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.40 3i1f s ALA 52 CO 0.02 -0.28 0.40 -1.21 0.00 0.00 0.00 175.76 174.69 3i1f s GLU 53 N 0.86 2.32 0.00 0.00 2.02 -1.26 -0.34 118.70 122.29 3i1f s GLU 53 Ca -0.04 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.09 3i1f s GLU 53 Cb -0.04 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 32.00 3i1f s GLU 53 CO -0.12 -0.48 0.00 -2.37 0.02 0.00 0.00 175.26 172.31 3i1f n THR 54 N -1.69 0.00 -3.26 3.63 5.66 -1.19 -4.80 114.28 112.62 3i1f n THR 54 Ca 0.01 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.71 3i1f n THR 54 Cb 0.64 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.38 3i1f n THR 54 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3i1f s ASN 55 N 0.00 6.53 -0.02 1.09 -0.87 -1.26 -1.54 114.94 118.86 3i1f s ASN 55 Ca 0.00 0.88 0.07 0.00 -1.57 0.00 0.00 52.86 52.23 3i1f s ASN 55 Cb 0.00 -2.21 -0.01 0.00 -0.02 0.00 0.00 41.25 39.00 3i1f s ASN 55 CO 0.00 -0.20 -0.22 -0.63 -2.57 0.00 0.00 177.10 173.48 3i1f s ILE 56 N -2.06 1.76 0.14 0.60 1.09 0.12 -4.42 121.20 118.43 3i1f s ILE 56 Ca 0.47 -0.94 -0.08 0.00 -1.10 0.00 0.00 60.65 59.00 3i1f s ILE 56 Cb -0.11 -1.47 -0.01 0.00 -1.06 0.00 0.00 42.46 39.82 3i1f s ILE 56 CO 0.27 0.50 0.23 -0.83 -0.10 0.00 0.00 174.94 175.01 3i1f s GLY 57 N -0.42 0.41 0.04 6.18 0.00 -1.22 0.74 107.32 113.04 3i1f s GLY 57 Ca 0.06 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 44.00 3i1f s GLY 57 CO -0.00 -0.88 -0.22 0.14 0.00 0.00 0.00 173.10 172.15 3i1f s VAL 58 N -3.94 1.75 0.01 1.40 1.01 0.46 -2.41 120.40 118.68 3i1f s VAL 58 Ca 0.14 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.72 3i1f s VAL 58 Cb 0.04 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 3i1f s VAL 58 CO -0.03 0.25 0.53 0.00 0.00 0.00 0.00 175.10 175.85 3i1f h GLU 60 N 5.21 -0.08 -0.63 0.00 9.09 -1.94 -3.32 114.58 122.90 3i1f h GLU 60 Ca -0.47 0.01 -0.08 0.00 0.05 0.00 0.00 59.36 58.86 3i1f h GLU 60 Cb 1.21 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 28.30 3i1f h GLU 60 CO 0.67 0.36 0.07 0.66 0.05 0.00 0.00 179.01 180.81 3i1f h SER 61 N -0.56 1.03 -4.05 3.06 4.64 -1.95 -3.45 113.55 112.27 3i1f h SER 61 Ca -0.01 -0.26 -0.52 0.00 -0.47 0.00 0.00 61.79 60.54 3i1f h SER 61 Cb 0.48 -0.27 0.09 0.00 -0.31 0.00 0.00 62.40 62.39 3i1f h SER 61 CO 0.01 1.04 0.49 0.00 -0.87 0.00 0.00 176.83 177.50 3i1f s LYS 63 N -2.99 3.92 0.66 0.00 0.00 -1.26 -4.63 119.74 115.44 3i1f s LYS 63 Ca 0.70 -0.37 -0.15 0.00 0.00 0.00 0.00 55.97 56.15 3i1f s LYS 63 Cb -0.30 -3.23 0.00 0.00 0.00 0.00 0.00 37.83 34.31 3i1f s LYS 63 CO 0.34 0.20 1.12 -1.59 0.00 0.00 0.00 175.35 175.43 3i1f s LYS 64 N 0.57 2.73 0.00 1.78 -2.85 -1.26 -1.42 119.74 119.29 3i1f s LYS 64 Ca 0.03 1.44 0.15 0.00 -1.00 0.00 0.00 55.97 56.59 3i1f s LYS 64 Cb -0.13 -1.94 0.90 0.00 -2.06 0.00 0.00 37.83 34.60 3i1f s LYS 64 CO 0.01 -1.31 1.39 -2.30 0.10 0.00 0.00 175.35 173.24 3i1f n PRO 65 N -2.43 0.73 -0.27 1.78 -0.02 -1.26 -4.83 135.00 128.69 3i1f n PRO 65 Ca 0.11 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3i1f n PRO 65 Cb 0.52 -1.32 0.12 0.00 -0.02 0.00 0.00 33.50 32.79 3i1f n PRO 65 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i1f h GLU 66 N 0.00 0.82 -0.42 -0.52 4.39 -1.60 -3.05 114.58 114.20 3i1f h GLU 66 Ca 0.00 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.74 3i1f h GLU 66 Cb 0.00 -0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 28.38 3i1f h GLU 66 CO 0.00 0.54 -0.15 0.00 -1.16 0.00 0.00 179.01 178.24 3i1f h ALA 67 N 1.37 0.20 -2.33 3.43 0.00 -1.81 -3.42 119.26 116.72 3i1f h ALA 67 Ca 0.34 0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.84 3i1f h ALA 67 Cb 0.17 0.40 0.05 0.00 0.00 0.00 0.00 17.79 18.40 3i1f h ALA 67 CO -0.17 -0.50 0.96 0.66 0.00 0.00 0.00 179.25 180.20 3i1f n TYR 68 N -5.35 2.44 -3.71 0.00 4.01 -1.15 -2.25 117.16 111.14 3i1f n TYR 68 Ca 0.03 0.08 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 3i1f n TYR 68 Cb 0.26 -2.63 -0.11 0.00 -0.31 0.00 0.00 39.34 36.55 3i1f n TYR 68 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3i1f s VAL 69 N 2.03 -0.01 -1.37 -0.72 1.01 -1.01 -4.94 120.40 115.38 3i1f s VAL 69 Ca 0.82 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3i1f s VAL 69 Cb -0.61 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3i1f s VAL 69 CO 0.40 0.02 0.47 0.35 0.00 0.00 0.00 175.10 176.34 3i1f n THR 70 N 3.65 0.00 -4.48 3.92 -2.24 -1.26 -3.39 114.28 110.49 3i1f n THR 70 Ca -0.19 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 3i1f n THR 70 Cb 0.56 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.38 3i1f n THR 70 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i1f s GLU 71 N -1.37 1.25 0.00 -0.78 2.02 -1.26 -4.59 118.70 113.97 3i1f s GLU 71 Ca 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.97 3i1f s GLU 71 Cb 0.00 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.81 3i1f s GLU 71 CO 0.00 0.35 1.12 -2.30 0.02 0.00 0.00 175.26 174.45 3i1f n PRO 72 N 1.54 0.80 -3.58 0.39 -0.02 -1.26 -4.75 135.00 128.11 3i1f n PRO 72 Ca -0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.14 3i1f n PRO 72 Cb 0.53 -1.10 -0.07 0.00 -0.02 0.00 0.00 33.50 32.85 3i1f n PRO 72 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1f s SER 73 N 1.41 -0.64 -0.08 2.55 0.15 -1.26 -4.38 113.70 111.45 3i1f s SER 73 Ca 0.00 0.88 0.19 0.00 0.70 0.00 0.00 55.95 57.73 3i1f s SER 73 Cb 0.00 0.80 0.70 0.00 -1.71 0.00 0.00 66.02 65.81 3i1f s SER 73 CO 0.00 -0.47 1.60 0.00 1.20 0.00 0.00 173.24 175.56 3i1f h LYS 75 N 4.12 0.00 0.00 0.00 2.10 -0.79 0.46 116.57 122.46 3i1f h LYS 75 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i1f h LYS 75 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3i1f h LYS 75 CO 0.17 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 178.05 3i1f n SER 76 N -2.30 0.00 -1.42 7.07 7.64 -1.26 -2.92 113.62 120.43 3i1f n SER 76 Ca -0.01 0.15 -0.02 0.00 1.01 0.00 0.00 58.87 60.00 3i1f n SER 76 Cb 0.09 -0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 3i1f n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1f n GLY 78 N -0.00 1.02 3.41 0.00 0.00 -1.00 -4.79 105.19 103.83 3i1f n GLY 78 Ca -0.14 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.73 3i1f n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1f s SER 79 N -2.25 -1.07 0.00 1.61 0.01 -1.16 -4.93 113.70 105.91 3i1f s SER 79 Ca 0.00 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.39 3i1f s SER 79 Cb 0.00 2.08 0.00 0.00 0.21 0.00 0.00 66.02 68.31 3i1f s SER 79 CO 0.00 -0.20 0.51 -0.90 0.41 0.00 0.00 173.24 173.05 3i1f n ASP 80 N 5.37 1.15 -4.64 2.44 3.85 -1.26 -0.12 116.55 123.34 3i1f n ASP 80 Ca -0.08 -1.74 -0.29 0.00 -0.71 0.00 0.00 54.79 51.97 3i1f n ASP 80 Cb 0.51 -0.43 -0.09 0.00 -1.35 0.00 0.00 41.12 39.75 3i1f n ASP 80 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 3i1f s ASP 81 N 0.05 4.72 0.16 -1.12 1.47 -1.26 -4.96 116.67 115.74 3i1f s ASP 81 Ca 0.00 -0.30 -0.30 0.00 1.18 0.00 0.00 52.55 53.13 3i1f s ASP 81 Cb 0.00 -1.02 -0.07 0.00 -0.34 0.00 0.00 42.92 41.49 3i1f s ASP 81 CO 0.00 0.16 1.04 -1.61 0.68 0.00 0.00 175.17 175.44 3i1f s GLU 82 N -2.37 4.65 0.91 2.11 2.02 -1.26 -2.94 118.70 121.82 3i1f s GLU 82 Ca 0.24 1.61 -0.12 0.00 0.02 0.00 0.00 54.97 56.72 3i1f s GLU 82 Cb -0.11 -3.31 0.14 0.00 0.10 0.00 0.00 34.13 30.95 3i1f s GLU 82 CO 0.16 0.15 1.13 -2.14 0.02 0.00 0.00 175.26 174.59 3i1f s PRO 83 N -0.31 1.11 0.09 0.39 0.02 -1.26 -4.93 135.00 130.10 3i1f s PRO 83 Ca 0.48 0.31 -0.27 0.00 0.02 0.00 0.00 61.00 61.55 3i1f s PRO 83 Cb -0.27 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3i1f s PRO 83 CO 0.33 -2.22 0.83 -1.59 -0.33 0.00 0.00 177.00 174.02 3i1f s LYS 84 N -5.25 4.58 -0.43 5.54 -2.85 -0.82 -4.82 119.74 115.68 3i1f s LYS 84 Ca 0.64 1.20 -0.27 0.00 -1.00 0.00 0.00 55.97 56.54 3i1f s LYS 84 Cb -0.15 -3.35 0.02 0.00 -2.06 0.00 0.00 37.83 32.29 3i1f s LYS 84 CO 0.54 0.31 1.04 0.12 0.10 0.00 0.00 175.35 177.45 3i1f s PHE 85 N -0.21 2.93 -0.09 1.78 2.19 -1.26 -0.41 117.98 122.91 3i1f s PHE 85 Ca 0.41 0.70 -0.26 0.00 0.33 0.00 0.00 56.93 58.11 3i1f s PHE 85 Cb -0.22 -4.08 -0.26 0.00 -1.31 0.00 0.00 43.02 37.16 3i1f s PHE 85 CO 0.26 -1.08 0.89 -0.07 1.83 0.00 0.00 175.22 177.04 3i1f h LEU 86 N 10.70 0.15 -7.00 6.12 -0.00 -0.01 -3.47 115.31 121.78 3i1f h LEU 86 Ca -0.23 -0.91 0.21 0.00 -0.00 0.00 0.00 57.88 56.95 3i1f h LEU 86 Cb 1.07 -0.05 -0.18 0.00 -0.00 0.00 0.00 40.66 41.50 3i1f h LEU 86 CO 1.06 1.04 0.72 0.00 -0.00 0.00 0.00 178.44 181.26 3i1f s ARG 87 N -2.60 0.45 0.12 1.13 1.70 -1.18 -5.02 118.95 113.55 3i1f s ARG 87 Ca -0.17 -0.15 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 3i1f s ARG 87 Cb -0.01 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 3i1f s ARG 87 CO 0.73 -0.19 0.18 0.50 -1.08 0.00 0.00 175.30 175.43 3i1f s ARG 88 N -2.50 3.14 0.00 3.89 3.52 -1.26 0.14 118.95 125.88 3i1f s ARG 88 Ca 0.08 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3i1f s ARG 88 Cb -0.01 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 3i1f s ARG 88 CO -0.06 0.53 0.00 0.44 -0.81 0.00 0.00 175.30 175.41 3i1f n ILE 89 N -0.13 0.00 -3.58 4.11 -5.35 -0.59 -1.35 119.36 112.48 3i1f n ILE 89 Ca -0.07 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 3i1f n ILE 89 Cb 0.53 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.38 3i1f n ILE 89 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3i1f s SER 90 N -0.73 -0.38 0.05 7.28 1.04 -1.14 -3.20 113.70 116.62 3i1f s SER 90 Ca 0.00 0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.92 3i1f s SER 90 Cb 0.00 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 3i1f s SER 90 CO 0.00 -0.35 -0.17 -0.36 0.98 0.00 0.00 173.24 173.34 3i1f s PHE 91 N -1.09 2.59 -0.11 5.02 0.40 0.54 -1.15 117.98 124.17 3i1f s PHE 91 Ca -0.02 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3i1f s PHE 91 Cb -0.00 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 42.09 3i1f s PHE 91 CO 0.02 0.28 -0.11 0.42 0.70 0.00 0.00 175.22 176.53 3i1f s ILE 92 N -0.97 1.25 0.00 0.64 1.09 -0.83 -3.08 121.20 119.30 3i1f s ILE 92 Ca 0.15 -0.46 0.00 0.00 -1.10 0.00 0.00 60.65 59.24 3i1f s ILE 92 Cb -0.11 -1.19 0.00 0.00 -1.06 0.00 0.00 42.46 40.10 3i1f s ILE 92 CO 0.06 0.40 0.00 -0.90 -0.10 0.00 0.00 174.94 174.40 3i1f n ASP 93 N 4.52 0.00 -3.70 3.58 3.85 -0.96 -0.50 116.55 123.33 3i1f n ASP 93 Ca -0.17 -0.11 -0.16 0.00 -0.71 0.00 0.00 54.79 53.64 3i1f n ASP 93 Cb 0.51 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 40.12 3i1f n ASP 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1f s ALA 94 N -1.05 -0.17 -0.46 2.12 0.00 -1.26 0.54 121.76 121.48 3i1f s ALA 94 Ca 0.00 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 3i1f s ALA 94 Cb 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 3i1f s ALA 94 CO 0.00 -0.38 2.38 -2.30 0.00 0.00 0.00 175.76 175.46 3i1f n PRO 95 N 4.83 1.16 0.00 0.00 -0.02 -1.26 -4.48 135.00 135.23 3i1f n PRO 95 Ca -0.14 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3i1f n PRO 95 Cb 0.51 -3.18 0.00 0.00 -0.02 0.00 0.00 33.50 30.80 3i1f n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1f n GLY 96 N 6.04 0.58 0.00 -1.23 0.00 -1.26 -4.95 105.19 104.37 3i1f n GLY 96 Ca 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3i1f n GLY 96 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i1f n HIS 97 N 7.86 -2.97 -2.71 1.61 1.44 -1.26 -2.26 115.22 116.93 3i1f n HIS 97 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 3i1f n HIS 97 Cb 0.00 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.21 3i1f n HIS 97 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 3i1f n GLU 98 N -0.79 0.94 0.02 -1.40 2.13 -1.26 -4.69 120.64 115.59 3i1f n GLU 98 Ca 0.00 -1.67 0.10 0.00 0.66 0.00 0.00 57.16 56.25 3i1f n GLU 98 Cb 0.00 -0.45 0.43 0.00 0.27 0.00 0.00 31.44 31.68 3i1f n GLU 98 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3i1f n VAL 99 N -0.11 0.67 -2.99 6.31 0.24 -1.26 -4.14 118.33 117.05 3i1f n VAL 99 Ca -0.02 0.14 -0.44 0.00 -2.04 0.00 0.00 64.34 61.99 3i1f n VAL 99 Cb 0.76 -0.85 -0.00 0.00 -1.47 0.00 0.00 33.84 32.28 3i1f n VAL 99 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i1f s LEU 100 N -3.24 5.22 0.00 1.34 1.43 -1.26 -4.84 118.68 117.34 3i1f s LEU 100 Ca 0.09 -2.90 0.12 0.00 -1.03 0.00 0.00 54.13 50.41 3i1f s LEU 100 Cb 0.12 -2.38 0.73 0.00 0.03 0.00 0.00 46.19 44.70 3i1f s LEU 100 CO 0.37 -0.75 1.16 1.15 0.23 0.00 0.00 176.35 178.52 3i1f n MET 101 N 5.45 0.44 0.24 1.70 0.00 -1.26 -3.31 117.12 120.38 3i1f n MET 101 Ca 0.33 0.00 0.10 0.00 0.00 0.00 0.00 57.70 58.13 3i1f n MET 101 Cb 0.43 -1.44 0.55 0.00 0.00 0.00 0.00 33.22 32.77 3i1f n MET 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i1f h ALA 102 N 2.75 1.26 0.00 3.17 0.00 -1.94 -0.66 119.26 123.85 3i1f h ALA 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1f h ALA 102 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i1f h ALA 102 CO 0.00 -0.26 -0.85 0.25 0.00 0.00 0.00 179.25 178.38 3i1f n THR 103 N -2.42 0.00 -0.27 0.00 -2.24 -1.21 -4.33 114.28 103.81 3i1f n THR 103 Ca -0.01 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.98 3i1f n THR 103 Cb 0.35 0.26 0.53 0.00 -2.10 0.00 0.00 70.33 69.37 3i1f n THR 103 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3i1f h MET 104 N 0.00 0.37 0.01 -0.78 -1.53 -1.28 0.38 114.93 112.09 3i1f h MET 104 Ca 0.00 -0.02 -0.35 0.00 -3.44 0.00 0.00 59.70 55.89 3i1f h MET 104 Cb 0.11 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.02 3i1f h MET 104 CO 0.00 0.24 -2.16 1.47 0.14 0.00 0.00 176.91 176.60 3i1f n LEU 105 N -4.52 0.78 0.00 3.39 -0.00 -1.10 -4.21 117.00 111.34 3i1f n LEU 105 Ca 0.21 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 3i1f n LEU 105 Cb 0.78 0.13 0.00 0.00 -0.00 0.00 0.00 43.42 44.33 3i1f n LEU 105 CO 0.30 0.54 0.00 -1.54 -0.00 0.00 0.00 177.39 176.69 3i1f n SER 106 N -2.95 0.00 0.29 1.45 3.41 -0.72 -3.58 113.62 111.52 3i1f n SER 106 Ca -0.29 0.09 0.17 0.00 -0.26 0.00 0.00 58.87 58.58 3i1f n SER 106 Cb 1.10 -0.37 0.91 0.00 -0.26 0.00 0.00 64.21 65.60 3i1f n SER 106 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3i1f h GLY 107 N 0.00 0.00 -0.91 5.00 0.00 -0.89 -0.03 103.07 106.24 3i1f h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i1f h GLY 107 CO 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.17 3i1f n ALA 108 N -1.92 3.28 0.63 3.60 0.00 0.10 -4.27 120.51 121.93 3i1f n ALA 108 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 53.44 52.85 3i1f n ALA 108 Cb 0.18 -0.66 0.10 0.00 0.00 0.00 0.00 19.45 19.06 3i1f n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1f n ALA 109 N 0.01 2.80 -1.74 0.00 0.00 -0.02 -3.72 120.51 117.85 3i1f n ALA 109 Ca 0.08 -0.46 0.05 0.00 0.00 0.00 0.00 53.44 53.11 3i1f n ALA 109 Cb 0.40 -1.03 0.18 0.00 0.00 0.00 0.00 19.45 19.01 3i1f n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1f n LEU 110 N 0.14 2.55 -4.25 0.00 4.77 -1.26 -4.98 117.00 113.97 3i1f n LEU 110 Ca 0.07 -3.68 -0.35 0.00 -0.03 0.00 0.00 56.01 52.02 3i1f n LEU 110 Cb 0.45 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3i1f n LEU 110 CO 0.08 1.31 -0.40 0.00 -1.33 0.00 0.00 177.39 177.05 3i1f s MET 111 N -2.83 3.13 0.22 3.23 0.23 -1.24 -4.79 119.30 117.25 3i1f s MET 111 Ca 0.38 -0.78 -0.08 0.00 -1.03 0.00 0.00 55.69 54.18 3i1f s MET 111 Cb 0.37 -2.98 0.24 0.00 -1.53 0.00 0.00 34.83 30.94 3i1f s MET 111 CO -0.08 -0.28 1.86 -0.44 -2.03 0.00 0.00 175.02 174.05 3i1f h ASP 112 N 8.07 0.83 -4.15 -1.18 5.19 -0.75 -3.45 116.42 120.98 3i1f h ASP 112 Ca -0.38 -0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.65 3i1f h ASP 112 Cb 1.14 -0.18 -0.09 0.00 0.18 0.00 0.00 39.33 40.38 3i1f h ASP 112 CO 0.60 0.57 -0.33 0.61 -3.12 0.00 0.00 179.24 177.56 3i1f n GLY 113 N -1.32 3.42 3.40 2.75 0.00 -0.89 -4.69 105.19 107.87 3i1f n GLY 113 Ca 0.10 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 3i1f n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1f s ALA 114 N -2.84 -1.40 -0.14 4.61 0.00 0.17 0.00 121.76 122.16 3i1f s ALA 114 Ca 0.18 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 3i1f s ALA 114 Cb 0.01 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.79 3i1f s ALA 114 CO 0.13 -0.63 -0.04 0.96 0.00 0.00 0.00 175.76 176.17 3i1f s ILE 115 N -3.16 0.94 -0.35 0.00 -0.00 0.12 -1.65 121.20 117.09 3i1f s ILE 115 Ca -0.01 -0.42 -0.26 0.00 -0.00 0.00 0.00 60.65 59.95 3i1f s ILE 115 Cb -0.00 -1.10 0.01 0.00 -0.00 0.00 0.00 42.46 41.38 3i1f s ILE 115 CO -0.08 0.19 0.92 -0.22 -0.00 0.00 0.00 174.94 175.75 3i1f s LEU 116 N 1.72 4.00 -0.36 0.37 2.96 -1.15 -2.40 118.68 123.82 3i1f s LEU 116 Ca 0.02 0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 54.35 3i1f s LEU 116 Cb -0.14 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.29 3i1f s LEU 116 CO -0.08 -0.82 0.78 -0.69 -1.32 0.00 0.00 176.35 174.22 3i1f s VAL 117 N 3.41 4.74 -0.06 1.68 1.01 -1.19 -1.86 120.40 128.14 3i1f s VAL 117 Ca 0.38 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.25 3i1f s VAL 117 Cb -0.12 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3i1f s VAL 117 CO 0.17 -0.43 -0.09 0.54 0.00 0.00 0.00 175.10 175.29 3i1f s VAL 118 N 3.08 3.48 -0.14 2.92 0.11 0.02 -4.93 120.40 124.94 3i1f s VAL 118 Ca 0.31 -0.59 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 3i1f s VAL 118 Cb -0.13 -2.41 -0.01 0.00 -1.53 0.00 0.00 36.38 32.30 3i1f s VAL 118 CO 0.17 0.58 0.95 0.00 -3.33 0.00 0.00 175.10 173.47 3i1f s ALA 119 N -0.80 3.48 0.05 1.54 0.00 -1.26 -0.08 121.76 124.69 3i1f s ALA 119 Ca 0.12 0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.58 3i1f s ALA 119 Cb -0.11 -3.38 0.95 0.00 0.00 0.00 0.00 23.12 20.58 3i1f s ALA 119 CO 0.02 -0.68 1.83 0.00 0.00 0.00 0.00 175.76 176.93 3i1f h ALA 120 N 7.22 0.99 -0.56 0.00 0.00 -1.62 -2.79 119.26 122.50 3i1f h ALA 120 Ca -0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i1f h ALA 120 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i1f h ALA 120 CO 0.87 0.19 0.00 0.27 0.00 0.00 0.00 179.25 180.58 3i1f n ASN 121 N -3.27 4.38 -4.34 0.00 6.94 -1.26 -4.76 115.26 112.95 3i1f n ASN 121 Ca 0.01 -2.46 -0.21 0.00 -0.02 0.00 0.00 54.58 51.90 3i1f n ASN 121 Cb 0.42 -0.56 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 3i1f n ASN 121 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3i1f s GLU 122 N -1.94 1.31 -0.58 -3.83 0.41 -1.05 -5.07 118.70 107.95 3i1f s GLU 122 Ca 0.45 -1.47 -0.26 0.00 -0.41 0.00 0.00 54.97 53.29 3i1f s GLU 122 Cb 0.30 -1.30 -0.07 0.00 -1.78 0.00 0.00 34.13 31.28 3i1f s GLU 122 CO 0.20 0.25 2.26 -2.14 -0.49 0.00 0.00 175.26 175.35 3i1f s PRO 123 N -3.03 2.17 0.40 0.39 0.02 -1.26 -4.86 135.00 128.84 3i1f s PRO 123 Ca 0.18 1.03 0.21 0.00 0.02 0.00 0.00 61.00 62.43 3i1f s PRO 123 Cb -0.05 -4.59 1.17 0.00 0.02 0.00 0.00 34.50 31.06 3i1f s PRO 123 CO 0.07 -3.31 1.74 0.27 -0.33 0.00 0.00 177.00 175.43 3i1f h PHE 124 N 17.31 0.64 0.00 6.54 -5.15 -1.96 -2.33 116.94 131.98 3i1f h PHE 124 Ca -0.20 0.02 -0.08 0.00 -0.20 0.00 0.00 57.97 57.51 3i1f h PHE 124 Cb 1.20 -0.18 -0.03 0.00 0.22 0.00 0.00 35.95 37.16 3i1f h PHE 124 CO 1.02 -0.00 -0.10 -2.30 -2.00 0.00 0.00 178.31 174.92 3i1f n PRO 125 N -4.66 1.20 -0.72 6.09 -0.02 -1.26 -4.79 135.00 130.85 3i1f n PRO 125 Ca 0.28 -0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 3i1f n PRO 125 Cb 1.00 -1.56 0.20 0.00 -0.02 0.00 0.00 33.50 33.11 3i1f n PRO 125 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i1f s GLN 126 N 1.06 0.30 0.00 -0.52 -1.52 -0.88 -4.61 119.66 113.49 3i1f s GLN 126 Ca 0.30 1.17 0.00 0.00 -1.95 0.00 0.00 55.36 54.87 3i1f s GLN 126 Cb 0.14 -1.67 0.00 0.00 -0.22 0.00 0.00 33.01 31.26 3i1f s GLN 126 CO 0.00 -3.00 0.40 -2.30 -0.25 0.00 0.00 175.29 170.14 3i1f n PRO 127 N -4.45 0.00 0.28 2.91 -0.02 -1.26 -1.52 135.00 130.94 3i1f n PRO 127 Ca 0.08 0.39 0.18 0.00 -2.02 0.00 0.00 63.50 62.13 3i1f n PRO 127 Cb 0.53 -0.90 0.96 0.00 -0.02 0.00 0.00 33.50 34.08 3i1f n PRO 127 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3i1f h GLN 128 N 0.00 0.00 -0.03 -0.52 5.75 -1.94 -1.13 115.11 117.24 3i1f h GLN 128 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3i1f h GLN 128 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3i1f h GLN 128 CO 0.00 0.00 0.01 1.15 -2.65 0.00 0.00 178.83 177.34 3i1f h THR 129 N 0.00 1.00 -0.42 2.39 2.02 -1.64 0.20 112.91 116.46 3i1f h THR 129 Ca 0.03 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 3i1f h THR 129 Cb 0.24 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3i1f h THR 129 CO -0.00 0.00 0.03 0.03 0.37 0.00 0.00 175.52 175.95 3i1f h ARG 130 N 0.03 0.72 0.00 6.66 3.08 -0.16 -1.93 114.38 122.78 3i1f h ARG 130 Ca 0.01 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3i1f h ARG 130 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3i1f h ARG 130 CO -0.01 0.78 0.00 0.39 -1.07 0.00 0.00 179.97 180.07 3i1f n GLU 131 N -4.45 0.28 -0.03 0.04 1.02 -0.69 -0.57 120.64 116.24 3i1f n GLU 131 Ca -0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.20 3i1f n GLU 131 Cb 0.27 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.29 3i1f n GLU 131 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3i1f n HIS 132 N -0.97 0.09 -0.06 -0.32 8.25 0.66 -3.34 115.22 119.52 3i1f n HIS 132 Ca 0.06 -0.08 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 3i1f n HIS 132 Cb 0.03 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.99 3i1f n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3i1f n PHE 133 N 0.74 0.50 0.23 4.41 3.72 0.27 -3.15 117.46 124.17 3i1f n PHE 133 Ca 0.09 0.16 -0.12 0.00 -0.05 0.00 0.00 57.45 57.54 3i1f n PHE 133 Cb 0.35 -1.09 -0.06 0.00 -0.94 0.00 0.00 39.48 37.74 3i1f n PHE 133 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3i1f h VAL 134 N 0.01 0.20 -0.91 -4.37 -1.51 -1.72 0.15 116.25 108.09 3i1f h VAL 134 Ca -0.44 -0.55 0.25 0.00 -1.23 0.00 0.00 66.70 64.73 3i1f h VAL 134 Cb 2.11 0.30 -0.14 0.00 -2.13 0.00 0.00 31.29 31.44 3i1f h VAL 134 CO 0.04 0.04 0.36 0.00 -1.23 0.00 0.00 177.57 176.79 3i1f h ALA 135 N -0.95 1.49 0.09 5.19 0.00 -1.74 1.37 119.26 124.72 3i1f h ALA 135 Ca -0.06 0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 3i1f h ALA 135 Cb 0.55 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3i1f h ALA 135 CO 0.11 -0.45 -1.16 -0.07 0.00 0.00 0.00 179.25 177.68 3i1f h LEU 136 N 0.30 0.61 -0.73 0.00 3.38 -1.61 -3.23 115.31 114.02 3i1f h LEU 136 Ca 0.60 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i1f h LEU 136 Cb 1.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3i1f h LEU 136 CO -0.60 1.40 0.00 1.23 0.09 0.00 0.00 178.44 180.56 3i1f h GLY 137 N 1.04 0.00 1.17 0.83 0.00 0.23 0.89 103.07 107.23 3i1f h GLY 137 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3i1f h GLY 137 CO 0.20 0.00 -0.07 1.39 0.00 0.00 0.00 176.54 178.07 3i1f n ILE 138 N -2.90 0.00 -0.01 2.60 2.08 0.44 -2.21 119.36 119.36 3i1f n ILE 138 Ca 0.02 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.30 3i1f n ILE 138 Cb 0.38 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 3i1f n ILE 138 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3i1f n ILE 139 N -1.09 0.00 0.00 1.39 5.41 -0.78 -4.77 119.36 119.53 3i1f n ILE 139 Ca 0.15 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.41 3i1f n ILE 139 Cb 0.26 1.01 0.00 0.00 -0.71 0.00 0.00 39.64 40.19 3i1f n ILE 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1f n GLY 140 N 0.48 1.19 3.31 7.39 0.00 0.30 -4.88 105.19 112.98 3i1f n GLY 140 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 3i1f n GLY 140 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i1f n VAL 141 N -1.73 0.00 0.95 1.61 3.14 -1.15 -4.76 118.33 116.39 3i1f n VAL 141 Ca 0.00 -0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.50 3i1f n VAL 141 Cb 0.00 -0.51 0.33 0.00 -1.06 0.00 0.00 33.84 32.60 3i1f n VAL 141 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3i1f n LYS 142 N 7.72 0.04 -1.49 1.45 4.81 -1.26 -4.55 118.16 124.88 3i1f n LYS 142 Ca 0.57 0.01 -0.36 0.00 -0.87 0.00 0.00 58.31 57.67 3i1f n LYS 142 Cb -0.02 -1.53 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 3i1f n LYS 142 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i1f n ASN 143 N -1.58 2.56 -3.75 3.14 5.03 -1.26 -4.83 115.26 114.57 3i1f n ASN 143 Ca 0.06 -2.66 -0.14 0.00 0.87 0.00 0.00 54.58 52.71 3i1f n ASN 143 Cb 0.35 -1.35 -0.14 0.00 -1.02 0.00 0.00 39.78 37.62 3i1f n ASN 143 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3i1f s LEU 144 N 5.91 0.78 -0.05 3.41 2.96 -1.26 0.44 118.68 130.87 3i1f s LEU 144 Ca 0.64 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.89 3i1f s LEU 144 Cb 0.07 0.35 -0.01 0.00 0.50 0.00 0.00 46.19 47.10 3i1f s LEU 144 CO 0.15 -0.14 -0.21 0.27 -1.32 0.00 0.00 176.35 175.09 3i1f s ILE 145 N 1.11 1.77 0.03 6.68 -4.36 -0.66 -4.38 121.20 121.40 3i1f s ILE 145 Ca -0.09 -0.90 -0.16 0.00 -0.26 0.00 0.00 60.65 59.25 3i1f s ILE 145 Cb -0.11 -1.51 -0.06 0.00 1.25 0.00 0.00 42.46 42.03 3i1f s ILE 145 CO -0.06 0.50 0.46 -0.63 0.24 0.00 0.00 174.94 175.45 3i1f s ILE 146 N -0.03 4.95 -0.07 8.37 -1.09 -0.14 -2.93 121.20 130.26 3i1f s ILE 146 Ca -0.05 0.91 0.02 0.00 -2.23 0.00 0.00 60.65 59.30 3i1f s ILE 146 Cb -0.13 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 3i1f s ILE 146 CO 0.03 0.54 -0.11 0.68 -1.23 0.00 0.00 174.94 174.85 3i1f s VAL 147 N -1.13 3.30 -1.07 2.92 -7.23 -0.78 -1.45 120.40 114.96 3i1f s VAL 147 Ca 0.26 -0.63 -0.09 0.00 -1.81 0.00 0.00 61.98 59.71 3i1f s VAL 147 Cb -0.17 -2.33 0.27 0.00 0.56 0.00 0.00 36.38 34.71 3i1f s VAL 147 CO 0.15 0.58 1.05 -1.58 -0.31 0.00 0.00 175.10 175.00 3i1f s GLN 148 N -0.60 4.09 0.70 4.82 0.74 -1.10 -0.80 119.66 127.50 3i1f s GLN 148 Ca 0.09 -3.13 -0.12 0.00 0.05 0.00 0.00 55.36 52.24 3i1f s GLN 148 Cb -0.11 -4.51 0.02 0.00 1.10 0.00 0.00 33.01 29.50 3i1f s GLN 148 CO 0.01 -1.25 1.08 1.21 -0.55 0.00 0.00 175.29 175.80 3i1f s ASN 149 N 1.36 5.02 -1.17 6.67 3.04 0.88 -2.03 114.94 128.71 3i1f s ASN 149 Ca 0.29 1.82 -0.10 0.00 0.04 0.00 0.00 52.86 54.91 3i1f s ASN 149 Cb -0.10 -2.52 -0.02 0.00 -1.54 0.00 0.00 41.25 37.06 3i1f s ASN 149 CO -0.08 -1.69 0.80 0.29 -3.04 0.00 0.00 177.10 173.39 3i1f n LYS 150 N -2.95 -2.74 -0.30 0.43 4.76 -0.52 -2.16 118.16 114.68 3i1f n LYS 150 Ca 0.09 0.63 0.10 0.00 -2.87 0.00 0.00 58.31 56.27 3i1f n LYS 150 Cb 0.53 -4.97 0.28 0.00 -1.84 0.00 0.00 35.03 29.03 3i1f n LYS 150 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3i1f n VAL 151 N -3.94 0.79 0.18 -0.18 3.14 -1.06 -3.95 118.33 113.31 3i1f n VAL 151 Ca -0.15 -0.82 0.11 0.00 -2.96 0.00 0.00 64.34 60.52 3i1f n VAL 151 Cb 0.63 0.49 0.00 0.00 -1.06 0.00 0.00 33.84 33.89 3i1f n VAL 151 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3i1f n ASP 152 N 1.35 0.73 -1.57 6.55 3.85 -1.26 -3.78 116.55 122.42 3i1f n ASP 152 Ca 0.21 0.23 0.10 0.00 -0.71 0.00 0.00 54.79 54.62 3i1f n ASP 152 Cb 0.54 0.61 0.36 0.00 -1.35 0.00 0.00 41.12 41.27 3i1f n ASP 152 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 3i1f n VAL 153 N -2.52 1.74 -4.40 2.12 0.24 -1.25 -4.95 118.33 109.30 3i1f n VAL 153 Ca 0.00 -1.18 -0.28 0.00 -2.04 0.00 0.00 64.34 60.84 3i1f n VAL 153 Cb 0.53 0.17 -0.12 0.00 -1.47 0.00 0.00 33.84 32.95 3i1f n VAL 153 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3i1f s VAL 154 N -1.74 2.34 1.04 3.34 -7.23 -1.25 -4.95 120.40 111.95 3i1f s VAL 154 Ca 0.51 -1.87 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 3i1f s VAL 154 Cb 0.32 -2.08 0.16 0.00 0.56 0.00 0.00 36.38 35.35 3i1f s VAL 154 CO 0.26 -0.00 0.74 -0.24 -0.31 0.00 0.00 175.10 175.55 3i1f n SER 155 N 0.61 -1.31 0.00 4.85 2.88 -1.26 -4.83 113.62 114.56 3i1f n SER 155 Ca -0.15 0.12 0.05 0.00 -1.33 0.00 0.00 58.87 57.56 3i1f n SER 155 Cb 0.54 -1.26 0.24 0.00 -0.75 0.00 0.00 64.21 62.98 3i1f n SER 155 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i1f n LYS 156 N -3.54 0.08 0.00 -1.46 5.02 -1.26 -3.51 118.16 113.50 3i1f n LYS 156 Ca 0.06 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3i1f n LYS 156 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3i1f n LYS 156 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3i1f n GLU 157 N -1.38 2.18 0.20 1.97 -0.00 -1.26 -4.42 120.64 117.93 3i1f n GLU 157 Ca 0.04 0.00 0.15 0.00 -0.00 0.00 0.00 57.16 57.34 3i1f n GLU 157 Cb 0.10 -0.74 0.68 0.00 -0.00 0.00 0.00 31.44 31.48 3i1f n GLU 157 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3i1f h GLU 158 N 0.00 0.00 0.06 3.44 4.11 -1.91 0.10 114.58 120.38 3i1f h GLU 158 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.05 3i1f h GLU 158 Cb 0.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3i1f h GLU 158 CO 0.00 0.00 -2.25 0.00 0.07 0.00 0.00 179.01 176.83 3i1f n ALA 159 N -1.89 1.19 1.16 1.06 0.00 -1.24 -3.04 120.51 117.74 3i1f n ALA 159 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3i1f n ALA 159 Cb 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3i1f n ALA 159 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1f n LEU 160 N -3.35 0.05 -0.01 0.00 4.32 -0.61 -0.86 117.00 116.54 3i1f n LEU 160 Ca -0.39 -0.03 -0.05 0.00 -0.02 0.00 0.00 56.01 55.53 3i1f n LEU 160 Cb 1.02 -0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.78 3i1f n LEU 160 CO 0.34 0.01 -0.52 -1.54 -1.22 0.00 0.00 177.39 174.46 3i1f n SER 161 N -0.44 0.64 -0.13 -1.43 3.41 0.25 -4.33 113.62 111.60 3i1f n SER 161 Ca 0.00 0.10 0.14 0.00 -0.26 0.00 0.00 58.87 58.84 3i1f n SER 161 Cb 0.01 -0.23 0.50 0.00 -0.26 0.00 0.00 64.21 64.23 3i1f n SER 161 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3i1f h GLN 162 N -0.19 0.41 -0.88 4.33 4.15 -1.44 0.51 115.11 122.00 3i1f h GLN 162 Ca -0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3i1f h GLN 162 Cb 0.85 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 3i1f h GLN 162 CO -0.06 0.27 0.57 -0.92 -1.93 0.00 0.00 178.83 176.76 3i1f h TYR 163 N 0.42 1.12 0.00 3.99 3.20 -1.26 -0.04 116.97 124.41 3i1f h TYR 163 Ca 0.32 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.11 3i1f h TYR 163 Cb 0.69 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3i1f h TYR 163 CO -0.00 0.72 -0.60 0.00 -1.64 0.00 0.00 178.16 176.64 3i1f h ARG 164 N 1.20 0.00 0.00 1.82 3.08 -0.34 -2.99 114.38 117.15 3i1f h ARG 164 Ca 0.32 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.23 3i1f h ARG 164 Cb -0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3i1f h ARG 164 CO -0.07 0.43 -0.88 -0.56 -1.07 0.00 0.00 179.97 177.82 3i1f h GLN 165 N 0.00 0.00 -0.28 0.04 3.07 -0.47 -2.95 115.11 114.52 3i1f h GLN 165 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 3i1f h GLN 165 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.92 3i1f h GLN 165 CO 0.06 0.50 -0.02 0.82 0.09 0.00 0.00 178.83 180.28 3i1f h ILE 166 N 0.00 1.26 -0.26 1.86 2.04 -0.99 -0.42 117.51 121.01 3i1f h ILE 166 Ca -0.06 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.86 3i1f h ILE 166 Cb 1.51 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 3i1f h ILE 166 CO 0.07 0.31 0.08 0.11 0.00 0.00 0.00 178.15 178.72 3i1f h LYS 167 N 0.29 0.19 0.00 2.37 1.79 -1.60 -1.64 116.57 117.97 3i1f h LYS 167 Ca 0.08 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 3i1f h LYS 167 Cb 0.46 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3i1f h LYS 167 CO 0.02 0.13 -0.06 1.96 -1.08 0.00 0.00 179.45 180.42 3i1f h GLN 168 N 0.20 0.00 0.23 3.15 1.08 -1.38 0.48 115.11 118.86 3i1f h GLN 168 Ca 0.11 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3i1f h GLN 168 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3i1f h GLN 168 CO -0.12 0.06 -0.11 0.35 -0.95 0.00 0.00 178.83 178.06 3i1f h PHE 169 N 0.00 -0.29 0.00 2.96 3.04 -0.19 -3.29 116.94 119.17 3i1f h PHE 169 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3i1f h PHE 169 Cb 0.18 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.79 3i1f h PHE 169 CO 0.00 -0.18 0.00 0.25 -2.02 0.00 0.00 178.31 176.36 3i1f n THR 170 N -3.69 0.00 -0.18 4.41 -2.24 -0.73 -3.81 114.28 108.04 3i1f n THR 170 Ca -0.04 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.00 3i1f n THR 170 Cb 0.12 -0.31 0.67 0.00 -2.10 0.00 0.00 70.33 68.71 3i1f n THR 170 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i1f h LYS 171 N 0.00 0.10 0.01 -0.78 3.64 -0.12 -1.12 116.57 118.30 3i1f h LYS 171 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3i1f h LYS 171 Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3i1f h LYS 171 CO 0.00 0.07 -0.33 0.78 -2.27 0.00 0.00 179.45 177.70 3i1f h GLY 172 N 0.10 0.03 -0.91 5.01 0.00 -1.82 -3.43 103.07 102.06 3i1f h GLY 172 Ca 0.42 -0.08 -0.41 0.00 0.00 0.00 0.00 47.33 47.27 3i1f h GLY 172 CO -0.05 0.07 0.17 -1.08 0.00 0.00 0.00 176.54 175.64 3i1f s THR 173 N -2.27 1.57 0.28 4.70 -1.32 -0.63 -4.86 115.64 113.12 3i1f s THR 173 Ca -0.21 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 3i1f s THR 173 Cb -0.01 -2.57 0.29 0.00 -1.51 0.00 0.00 72.50 68.70 3i1f s THR 173 CO 0.68 0.00 1.83 4.11 -2.21 0.00 0.00 174.62 179.03 3i1f h TRP 174 N -2.61 1.13 0.00 9.09 0.09 -1.93 -1.72 115.95 120.00 3i1f h TRP 174 Ca -0.42 0.03 0.00 0.00 0.09 0.00 0.00 58.89 58.59 3i1f h TRP 174 Cb 1.27 -0.36 0.00 0.00 0.08 0.00 0.00 29.16 30.16 3i1f h TRP 174 CO -2.58 0.42 0.00 0.00 0.09 0.00 0.00 178.44 176.37 3i1f n ALA 175 N -2.35 1.97 0.05 0.11 0.00 -1.26 -3.43 120.51 115.60 3i1f n ALA 175 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.67 3i1f n ALA 175 Cb 0.39 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 19.00 3i1f n ALA 175 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i1f n GLU 176 N -0.46 0.04 -0.02 0.00 0.28 -0.52 -1.38 120.64 118.58 3i1f n GLU 176 Ca 0.00 0.54 -0.01 0.00 -0.16 0.00 0.00 57.16 57.53 3i1f n GLU 176 Cb 0.01 -1.63 -0.04 0.00 1.43 0.00 0.00 31.44 31.20 3i1f n GLU 176 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3i1f n ASN 177 N -1.71 3.66 -4.45 -1.84 3.02 -1.22 -4.79 115.26 107.92 3i1f n ASN 177 Ca -0.00 0.00 -0.63 0.00 -0.03 0.00 0.00 54.58 53.92 3i1f n ASN 177 Cb 0.01 0.84 -0.11 0.00 -0.61 0.00 0.00 39.78 39.91 3i1f n ASN 177 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i1f n VAL 178 N -2.04 0.01 -1.77 2.41 0.31 -0.48 -4.83 118.33 111.95 3i1f n VAL 178 Ca -0.06 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.85 3i1f n VAL 178 Cb 0.50 -0.55 -0.00 0.00 -0.91 0.00 0.00 33.84 32.88 3i1f n VAL 178 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3i1f n PRO 179 N 6.20 2.60 -3.95 5.55 -0.02 -1.26 -4.71 135.00 139.42 3i1f n PRO 179 Ca 0.45 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 62.50 3i1f n PRO 179 Cb -0.04 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 30.68 3i1f n PRO 179 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1f s ILE 180 N -1.12 2.86 -0.32 4.25 -1.09 -1.26 -0.97 121.20 123.56 3i1f s ILE 180 Ca 0.53 -1.26 0.01 0.00 -2.23 0.00 0.00 60.65 57.71 3i1f s ILE 180 Cb -0.49 -2.57 0.08 0.00 -1.58 0.00 0.00 42.46 37.90 3i1f s ILE 180 CO 0.64 0.03 0.02 0.27 -1.23 0.00 0.00 174.94 174.67 3i1f s ILE 181 N 1.27 2.63 0.03 2.92 -0.00 -0.53 -4.96 121.20 122.56 3i1f s ILE 181 Ca -0.03 -1.84 -0.30 0.00 -0.00 0.00 0.00 60.65 58.47 3i1f s ILE 181 Cb -0.18 -2.69 -0.06 0.00 -0.00 0.00 0.00 42.46 39.53 3i1f s ILE 181 CO -0.03 -0.33 1.30 -2.84 -0.00 0.00 0.00 174.94 173.05 3i1f s PRO 182 N 1.09 4.35 0.35 0.37 0.02 -1.26 -2.73 135.00 137.19 3i1f s PRO 182 Ca 0.01 1.88 0.04 0.00 0.02 0.00 0.00 61.00 62.94 3i1f s PRO 182 Cb -0.20 -3.44 -0.01 0.00 0.02 0.00 0.00 34.50 30.86 3i1f s PRO 182 CO -0.05 -0.43 0.38 0.14 -0.33 0.00 0.00 177.00 176.71 3i1f s VAL 183 N 1.73 0.00 -0.22 3.83 -7.23 -0.86 -4.79 120.40 112.86 3i1f s VAL 183 Ca 0.61 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 3i1f s VAL 183 Cb -0.31 -2.58 0.06 0.00 0.56 0.00 0.00 36.38 34.11 3i1f s VAL 183 CO 0.27 0.00 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.45 3i1f s SER 184 N -3.33 3.65 -0.01 4.85 0.15 -0.74 -1.44 113.70 116.83 3i1f s SER 184 Ca 0.37 -1.07 -0.24 0.00 0.70 0.00 0.00 55.95 55.70 3i1f s SER 184 Cb 0.01 -1.14 -0.19 0.00 -1.71 0.00 0.00 66.02 62.99 3i1f s SER 184 CO 0.26 -0.22 1.29 0.00 1.20 0.00 0.00 173.24 175.76 3i1f h ALA 185 N 7.98 0.06 0.88 5.45 0.00 -1.90 0.34 119.26 132.08 3i1f h ALA 185 Ca -0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3i1f h ALA 185 Cb 1.08 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3i1f h ALA 185 CO 0.42 -0.16 -0.43 1.25 0.00 0.00 0.00 179.25 180.33 3i1f h LEU 186 N -0.36 -1.03 -1.28 0.00 5.85 -1.95 -3.23 115.31 113.30 3i1f h LEU 186 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3i1f h LEU 186 Cb 0.54 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3i1f h LEU 186 CO 0.01 -0.73 0.00 1.41 -0.34 0.00 0.00 178.44 178.79 3i1f n HIS 187 N -5.24 0.28 -2.96 1.25 8.25 -1.25 -4.97 115.22 110.58 3i1f n HIS 187 Ca -0.15 -0.14 -0.11 0.00 -0.26 0.00 0.00 57.72 57.06 3i1f n HIS 187 Cb 0.47 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.64 3i1f n HIS 187 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i1f n LYS 188 N 0.49 -1.79 -4.69 -0.41 4.76 0.11 -4.99 118.16 111.64 3i1f n LYS 188 Ca 0.16 0.82 -0.33 0.00 -2.87 0.00 0.00 58.31 56.09 3i1f n LYS 188 Cb 0.36 -5.16 -0.13 0.00 -1.84 0.00 0.00 35.03 28.26 3i1f n LYS 188 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i1f s ILE 189 N -3.28 3.43 -1.36 -0.18 -1.09 -0.46 -4.64 121.20 113.62 3i1f s ILE 189 Ca 0.33 -0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 58.15 3i1f s ILE 189 Cb -0.04 -2.42 0.03 0.00 -1.58 0.00 0.00 42.46 38.44 3i1f s ILE 189 CO 0.63 0.56 0.34 -3.20 -1.23 0.00 0.00 174.94 172.04 3i1f n ASN 190 N 2.77 -4.70 0.02 3.58 5.15 -1.26 -1.80 115.26 119.03 3i1f n ASN 190 Ca -0.18 -0.17 -0.13 0.00 -0.60 0.00 0.00 54.58 53.51 3i1f n ASN 190 Cb 0.53 -3.88 -0.02 0.00 -0.53 0.00 0.00 39.78 35.87 3i1f n ASN 190 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3i1f h ILE 191 N -0.74 1.34 0.00 -1.44 2.04 -1.90 -3.05 117.51 113.77 3i1f h ILE 191 Ca -0.43 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.33 3i1f h ILE 191 Cb 1.30 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 3i1f h ILE 191 CO 0.50 0.64 0.00 0.44 0.00 0.00 0.00 178.15 179.73 3i1f h ASP 192 N 0.38 0.00 0.80 1.72 5.19 -1.89 -1.96 116.42 120.66 3i1f h ASP 192 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3i1f h ASP 192 Cb 1.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 3i1f h ASP 192 CO 0.14 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 175.06 3i1f n SER 193 N -3.06 0.00 -0.02 6.45 7.64 -1.15 0.18 113.62 123.65 3i1f n SER 193 Ca -0.00 0.49 0.04 0.00 1.01 0.00 0.00 58.87 60.41 3i1f n SER 193 Cb 0.26 -0.50 -0.14 0.00 -1.01 0.00 0.00 64.21 62.82 3i1f n SER 193 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3i1f n LEU 194 N -1.50 0.20 0.10 -3.43 7.94 -0.76 -2.22 117.00 117.33 3i1f n LEU 194 Ca 0.06 0.08 -0.04 0.00 -1.11 0.00 0.00 56.01 55.00 3i1f n LEU 194 Cb 0.27 0.14 0.10 0.00 0.53 0.00 0.00 43.42 44.47 3i1f n LEU 194 CO 0.22 0.14 0.43 0.40 -1.11 0.00 0.00 177.39 177.46 3i1f h ILE 195 N 0.00 1.45 0.00 1.96 2.04 -1.12 0.53 117.51 122.36 3i1f h ILE 195 Ca -0.17 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.47 3i1f h ILE 195 Cb 1.41 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3i1f h ILE 195 CO 0.01 0.64 0.00 -0.08 0.00 0.00 0.00 178.15 178.73 3i1f h GLU 196 N 0.09 0.00 0.32 2.37 4.81 -0.39 -2.89 114.58 118.90 3i1f h GLU 196 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3i1f h GLU 196 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3i1f h GLU 196 CO 0.10 0.00 -0.15 0.78 -0.73 0.00 0.00 179.01 179.00 3i1f h GLY 197 N 3.32 -0.45 -0.00 1.92 0.00 -0.72 -1.99 103.07 105.15 3i1f h GLY 197 Ca 0.00 0.17 0.22 0.00 0.00 0.00 0.00 47.33 47.72 3i1f h GLY 197 CO 0.00 -0.16 0.62 -2.22 0.00 0.00 0.00 176.54 174.77 3i1f h ILE 198 N -0.91 0.61 0.00 2.60 2.04 -0.11 -2.62 117.51 119.13 3i1f h ILE 198 Ca -0.04 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3i1f h ILE 198 Cb 0.33 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3i1f h ILE 198 CO 0.07 0.11 0.00 -0.62 0.00 0.00 0.00 178.15 177.71 3i1f n GLU 199 N -4.76 0.00 0.00 2.37 -0.58 -1.09 -1.83 120.64 114.75 3i1f n GLU 199 Ca 0.25 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3i1f n GLU 199 Cb 0.70 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 3i1f n GLU 199 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i1f n GLU 200 N -1.58 0.72 0.07 3.49 -0.58 -0.75 -4.14 120.64 117.87 3i1f n GLU 200 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1f n GLU 200 Cb 0.00 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3i1f n GLU 200 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3i1f n TYR 201 N 0.24 -1.97 -1.98 -0.32 4.01 -1.00 -4.97 117.16 111.18 3i1f n TYR 201 Ca 0.00 0.38 -0.42 0.00 -0.16 0.00 0.00 57.90 57.70 3i1f n TYR 201 Cb 0.22 1.09 -0.01 0.00 -0.31 0.00 0.00 39.34 40.33 3i1f n TYR 201 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3i1f n ILE 202 N -2.90 3.47 -1.51 -0.72 2.08 -0.76 -4.95 119.36 114.08 3i1f n ILE 202 Ca 0.00 -3.26 -0.29 0.00 0.56 0.00 0.00 62.75 59.76 3i1f n ILE 202 Cb 0.00 -2.50 0.13 0.00 -0.75 0.00 0.00 39.64 36.52 3i1f n ILE 202 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3i1f s LYS 203 N 3.73 1.28 -0.36 0.38 1.02 -1.26 -4.72 119.74 119.82 3i1f s LYS 203 Ca 0.50 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.61 3i1f s LYS 203 Cb 0.10 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 3i1f s LYS 203 CO -0.02 -2.12 1.01 0.99 -0.92 0.00 0.00 175.35 174.29 3i1f s THR 204 N -3.22 4.51 0.35 2.17 2.01 -1.26 -4.95 115.64 115.24 3i1f s THR 204 Ca 0.63 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.74 3i1f s THR 204 Cb -0.15 -4.40 -0.11 0.00 0.01 0.00 0.00 72.50 67.85 3i1f s THR 204 CO 0.54 -0.58 1.45 -2.84 -0.69 0.00 0.00 174.62 172.50 3i1f s PRO 205 N 3.66 4.19 0.24 4.92 0.02 -1.26 -4.92 135.00 141.84 3i1f s PRO 205 Ca 0.42 2.46 -0.31 0.00 0.02 0.00 0.00 61.00 63.59 3i1f s PRO 205 Cb -0.11 -3.01 -0.14 0.00 0.02 0.00 0.00 34.50 31.26 3i1f s PRO 205 CO 0.19 -0.45 1.32 0.98 -0.33 0.00 0.00 177.00 178.72 3i1f n TYR 206 N 0.86 1.94 -4.26 6.54 9.36 -1.26 -4.99 117.16 125.36 3i1f n TYR 206 Ca 0.02 0.51 -0.29 0.00 3.32 0.00 0.00 57.90 61.46 3i1f n TYR 206 Cb 0.40 -2.41 -0.10 0.00 -0.63 0.00 0.00 39.34 36.60 3i1f n TYR 206 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3i1f s ARG 207 N -0.57 2.03 -0.20 2.98 1.81 -1.26 -5.12 118.95 118.62 3i1f s ARG 207 Ca 0.68 -1.12 -0.02 0.00 -1.72 0.00 0.00 55.73 53.56 3i1f s ARG 207 Cb -0.69 -2.23 0.06 0.00 -0.45 0.00 0.00 34.95 31.64 3i1f s ARG 207 CO 0.52 0.48 -0.00 0.34 -0.68 0.00 0.00 175.30 175.96 3i1f s ASP 208 N -2.34 3.13 0.18 0.23 2.15 -1.26 -4.98 116.67 113.77 3i1f s ASP 208 Ca 0.21 -0.88 0.22 0.00 0.43 0.00 0.00 52.55 52.53 3i1f s ASP 208 Cb -0.10 -0.79 0.89 0.00 -0.30 0.00 0.00 42.92 42.62 3i1f s ASP 208 CO 0.13 -0.27 1.68 0.18 -0.17 0.00 0.00 175.17 176.72 3i1f n LEU 209 N 4.93 0.50 0.10 -1.34 4.32 -1.26 -2.34 117.00 121.90 3i1f n LEU 209 Ca -0.10 0.60 -0.20 0.00 -0.02 0.00 0.00 56.01 56.30 3i1f n LEU 209 Cb 0.46 -0.51 -0.12 0.00 -1.62 0.00 0.00 43.42 41.63 3i1f n LEU 209 CO 0.15 -0.40 -0.04 -1.28 -1.22 0.00 0.00 177.39 174.61 3i1f h SER 210 N 0.00 0.72 -3.10 -1.43 0.87 -1.94 -3.44 113.55 105.23 3i1f h SER 210 Ca 0.00 -0.68 -0.58 0.00 -1.23 0.00 0.00 61.79 59.31 3i1f h SER 210 Cb 0.41 -0.23 0.17 0.00 -0.44 0.00 0.00 62.40 62.31 3i1f h SER 210 CO 0.00 1.50 -0.29 1.67 -0.53 0.00 0.00 176.83 179.18 3i1f n GLN 211 N -3.72 0.57 -1.65 2.24 7.27 -0.99 -4.72 117.38 116.38 3i1f n GLN 211 Ca -0.12 0.22 -0.52 0.00 0.07 0.00 0.00 57.00 56.66 3i1f n GLN 211 Cb 0.98 -1.80 -0.06 0.00 2.41 0.00 0.00 30.24 31.77 3i1f n GLN 211 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3i1f n LYS 212 N -0.30 1.64 -1.55 3.69 4.81 -1.26 -3.78 118.16 121.41 3i1f n LYS 212 Ca 0.12 0.58 -0.27 0.00 -0.87 0.00 0.00 58.31 57.87 3i1f n LYS 212 Cb 0.48 -2.46 -0.05 0.00 0.02 0.00 0.00 35.03 33.02 3i1f n LYS 212 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3i1f n PRO 213 N 6.63 0.82 -5.07 1.64 -0.02 -1.26 -3.89 135.00 133.84 3i1f n PRO 213 Ca 0.28 -0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.11 3i1f n PRO 213 Cb 0.23 -3.48 -0.17 0.00 -0.02 0.00 0.00 33.50 30.07 3i1f n PRO 213 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i1f s VAL 214 N 13.06 2.11 0.14 -1.45 -7.23 -1.04 -3.88 120.40 122.11 3i1f s VAL 214 Ca 0.97 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 3i1f s VAL 214 Cb -0.19 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 34.97 3i1f s VAL 214 CO 0.20 0.56 0.20 0.80 -0.31 0.00 0.00 175.10 176.54 3i1f n MET 215 N 3.65 0.67 -3.27 4.82 1.56 -0.13 -1.73 117.12 122.68 3i1f n MET 215 Ca -0.19 -0.63 -0.04 0.00 -0.27 0.00 0.00 57.70 56.57 3i1f n MET 215 Cb 0.53 -0.10 -0.05 0.00 2.15 0.00 0.00 33.22 35.74 3i1f n MET 215 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 3i1f s LEU 216 N 0.00 -0.94 -0.34 -0.89 0.20 -0.92 -3.82 118.68 111.98 3i1f s LEU 216 Ca 0.14 0.50 -0.28 0.00 0.69 0.00 0.00 54.13 55.17 3i1f s LEU 216 Cb -0.01 1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 47.28 3i1f s LEU 216 CO 0.09 -0.28 1.73 -0.69 -0.29 0.00 0.00 176.35 176.91 3i1f s VAL 217 N 2.67 3.55 -0.19 1.68 1.01 -0.59 -2.02 120.40 126.50 3i1f s VAL 217 Ca 0.16 0.55 0.19 0.00 0.00 0.00 0.00 61.98 62.88 3i1f s VAL 217 Cb -0.15 -3.74 -0.27 0.00 0.00 0.00 0.00 36.38 32.22 3i1f s VAL 217 CO -0.18 -0.47 0.48 -0.38 0.00 0.00 0.00 175.10 174.55 3i1f n ILE 218 N 7.36 0.00 -3.69 2.22 5.41 -1.15 -3.20 119.36 126.31 3i1f n ILE 218 Ca 0.22 -0.36 -0.12 0.00 1.00 0.00 0.00 62.75 63.49 3i1f n ILE 218 Cb 0.47 0.26 -0.09 0.00 -0.71 0.00 0.00 39.64 39.57 3i1f n ILE 218 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3i1f s ARG 219 N -3.18 0.56 0.03 0.38 6.06 -1.22 -4.71 118.95 116.87 3i1f s ARG 219 Ca -0.04 0.79 0.01 0.00 -2.50 0.00 0.00 55.73 53.99 3i1f s ARG 219 Cb 0.12 0.19 -0.02 0.00 0.06 0.00 0.00 34.95 35.31 3i1f s ARG 219 CO 0.77 -0.10 -0.05 -1.54 -2.50 0.00 0.00 175.30 171.88 3i1f s SER 220 N 0.71 0.55 -0.05 -2.12 1.04 -1.26 0.15 113.70 112.73 3i1f s SER 220 Ca -0.04 -0.52 -0.31 0.00 0.48 0.00 0.00 55.95 55.57 3i1f s SER 220 Cb -0.05 0.06 0.12 0.00 0.10 0.00 0.00 66.02 66.26 3i1f s SER 220 CO -0.05 -0.24 1.34 0.72 0.98 0.00 0.00 173.24 175.99 3i1f s PHE 221 N -1.39 -0.01 -0.14 5.02 -0.12 0.11 -0.46 117.98 121.00 3i1f s PHE 221 Ca -0.13 -0.06 -0.05 0.00 -0.05 0.00 0.00 56.93 56.65 3i1f s PHE 221 Cb -0.10 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 3i1f s PHE 221 CO -0.00 -0.17 0.03 0.34 -0.05 0.00 0.00 175.22 175.36 3i1f s ASP 222 N -3.32 5.37 0.15 1.98 2.15 -1.26 -0.31 116.67 121.44 3i1f s ASP 222 Ca 0.20 0.09 0.21 0.00 0.43 0.00 0.00 52.55 53.49 3i1f s ASP 222 Cb 0.04 -1.76 -0.07 0.00 -0.30 0.00 0.00 42.92 40.84 3i1f s ASP 222 CO -0.04 0.27 0.93 1.33 -0.17 0.00 0.00 175.17 177.49 3i1f n VAL 223 N 2.90 0.66 -1.62 1.11 0.24 -1.26 -4.94 118.33 115.41 3i1f n VAL 223 Ca -0.18 -0.57 -0.58 0.00 -2.04 0.00 0.00 64.34 60.97 3i1f n VAL 223 Cb 0.53 -0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 32.45 3i1f n VAL 223 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3i1f n ASN 224 N -2.67 1.32 -4.89 -1.34 3.02 -1.26 -4.93 115.26 104.50 3i1f n ASN 224 Ca -0.03 1.13 -0.33 0.00 -0.03 0.00 0.00 54.58 55.33 3i1f n ASN 224 Cb 0.61 -1.05 -0.05 0.00 -0.61 0.00 0.00 39.78 38.68 3i1f n ASN 224 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i1f s LYS 225 N 1.52 3.56 -0.16 3.52 2.47 -1.26 -5.02 119.74 124.36 3i1f s LYS 225 Ca 0.93 -0.16 -0.35 0.00 -1.56 0.00 0.00 55.97 54.83 3i1f s LYS 225 Cb -1.16 -3.02 -0.12 0.00 -1.46 0.00 0.00 37.83 32.08 3i1f s LYS 225 CO 0.60 0.60 1.93 -2.30 0.16 0.00 0.00 175.35 176.34 3i1f n PRO 226 N 0.70 1.87 0.00 4.03 -0.02 -1.26 -1.70 135.00 138.62 3i1f n PRO 226 Ca -0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3i1f n PRO 226 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3i1f n PRO 226 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1f n GLY 227 N 4.76 1.19 3.63 -1.23 0.00 -1.26 -5.09 105.19 107.18 3i1f n GLY 227 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 3i1f n GLY 227 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1f s THR 228 N -1.77 3.89 -1.25 2.61 2.01 -0.69 -4.92 115.64 115.52 3i1f s THR 228 Ca 0.00 1.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.96 3i1f s THR 228 Cb 0.00 -3.88 0.17 0.00 0.01 0.00 0.00 72.50 68.80 3i1f s THR 228 CO 0.00 -0.35 2.19 1.67 -0.69 0.00 0.00 174.62 177.44 3i1f n GLN 229 N 7.46 4.67 0.00 4.92 7.27 -1.26 -5.01 117.38 135.44 3i1f n GLN 229 Ca 0.17 -3.76 0.00 0.00 0.07 0.00 0.00 57.00 53.48 3i1f n GLN 229 Cb 0.46 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.48 3i1f n GLN 229 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i1f n PHE 230 N 1.55 0.00 0.00 3.69 7.35 -1.26 -4.87 117.46 123.92 3i1f n PHE 230 Ca 0.56 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 3i1f n PHE 230 Cb 0.26 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.09 3i1f n PHE 230 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3i1f n ASN 231 N 4.71 0.00 -2.34 -2.13 4.05 -1.26 -2.19 115.26 116.11 3i1f n ASN 231 Ca 0.00 0.00 -0.20 0.00 0.45 0.00 0.00 54.58 54.83 3i1f n ASN 231 Cb 0.00 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 40.89 3i1f n ASN 231 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3i1f n GLU 232 N 14.00 2.40 -2.43 1.20 -0.58 -1.26 -4.93 120.64 129.05 3i1f n GLU 232 Ca 0.00 -1.64 -0.38 0.00 -0.42 0.00 0.00 57.16 54.72 3i1f n GLU 232 Cb 0.00 -2.14 -0.03 0.00 -0.57 0.00 0.00 31.44 28.69 3i1f n GLU 232 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 3i1f s LEU 233 N -0.76 4.21 0.38 -4.62 2.34 -0.93 -5.01 118.68 114.29 3i1f s LEU 233 Ca 0.64 2.20 -0.25 0.00 0.06 0.00 0.00 54.13 56.78 3i1f s LEU 233 Cb 0.32 -4.05 -0.09 0.00 -0.56 0.00 0.00 46.19 41.81 3i1f s LEU 233 CO -0.08 -0.54 1.07 -0.54 -1.06 0.00 0.00 176.35 175.21 3i1f s LYS 234 N -2.30 4.23 0.00 1.48 -0.14 -1.26 -5.05 119.74 116.70 3i1f s LYS 234 Ca 0.56 1.61 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 3i1f s LYS 234 Cb -0.27 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.21 3i1f s LYS 234 CO 0.34 -0.11 0.00 0.41 -0.76 0.00 0.00 175.35 175.23 3i1f n GLY 235 N 0.54 -2.71 3.82 -3.33 0.00 -1.26 -4.60 105.19 97.64 3i1f n GLY 235 Ca 0.04 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 3i1f n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1f s GLY 236 N -2.15 1.67 -0.16 -0.02 0.00 0.39 -4.42 107.32 102.63 3i1f s GLY 236 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3i1f s GLY 236 CO 0.00 0.41 -0.13 0.14 0.00 0.00 0.00 173.10 173.52 3i1f s VAL 237 N -3.03 1.58 -0.38 1.40 1.01 0.58 -1.69 120.40 119.87 3i1f s VAL 237 Ca 0.58 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3i1f s VAL 237 Cb -0.14 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.78 3i1f s VAL 237 CO 0.55 0.39 0.17 -0.63 0.00 0.00 0.00 175.10 175.58 3i1f s ILE 238 N 1.47 3.84 0.22 2.22 1.01 0.12 -0.71 121.20 129.37 3i1f s ILE 238 Ca 0.04 -1.38 -0.04 0.00 0.00 0.00 0.00 60.65 59.27 3i1f s ILE 238 Cb -0.14 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.08 3i1f s ILE 238 CO -0.10 -0.37 0.30 0.61 0.00 0.00 0.00 174.94 175.38 3i1f n GLY 239 N 4.81 -1.14 0.00 6.18 0.00 0.40 -0.33 105.19 115.11 3i1f n GLY 239 Ca -0.10 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3i1f n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1f n GLY 240 N 3.01 1.29 3.35 -0.02 0.00 -0.90 -2.93 105.19 109.00 3i1f n GLY 240 Ca 0.04 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 3i1f n GLY 240 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1f s SER 241 N 0.00 3.73 0.14 1.61 1.04 -0.86 -1.51 113.70 117.85 3i1f s SER 241 Ca 0.00 -0.37 -0.30 0.00 0.48 0.00 0.00 55.95 55.76 3i1f s SER 241 Cb 0.00 -1.34 -0.07 0.00 0.10 0.00 0.00 66.02 64.71 3i1f s SER 241 CO 0.00 0.21 1.26 -0.63 0.98 0.00 0.00 173.24 175.06 3i1f s ILE 242 N 0.09 3.57 -0.22 -1.02 1.01 -1.26 -2.15 121.20 121.21 3i1f s ILE 242 Ca -0.07 1.21 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 3i1f s ILE 242 Cb -0.15 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.37 3i1f s ILE 242 CO 0.05 0.14 0.10 -0.38 0.00 0.00 0.00 174.94 174.85 3i1f n ILE 243 N 3.27 1.54 -4.35 2.92 -0.00 -0.70 -3.69 119.36 118.34 3i1f n ILE 243 Ca 0.08 -0.11 -0.19 0.00 -0.00 0.00 0.00 62.75 62.52 3i1f n ILE 243 Cb 0.44 -2.00 -0.09 0.00 -0.00 0.00 0.00 39.64 37.99 3i1f n ILE 243 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1f s GLN 244 N -2.40 1.60 5.57 0.38 -2.07 -1.17 -4.75 119.66 116.82 3i1f s GLN 244 Ca -0.31 -1.92 0.00 0.00 -1.82 0.00 0.00 55.36 51.32 3i1f s GLN 244 Cb 0.08 -0.18 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 3i1f s GLN 244 CO 0.57 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.53 3i1f n GLY 245 N -0.60 3.05 3.88 2.60 0.00 -1.21 -2.49 105.19 110.41 3i1f n GLY 245 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3i1f n GLY 245 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1f s LEU 246 N 0.00 -0.01 -0.08 0.99 0.05 -1.26 -4.12 118.68 114.24 3i1f s LEU 246 Ca 0.00 -0.30 -0.03 0.00 0.05 0.00 0.00 54.13 53.85 3i1f s LEU 246 Cb 0.00 1.52 0.04 0.00 -2.05 0.00 0.00 46.19 45.70 3i1f s LEU 246 CO 0.00 -0.47 0.07 -0.36 -0.55 0.00 0.00 176.35 175.04 3i1f s PHE 247 N -2.18 0.14 0.60 3.48 0.40 -0.63 -4.67 117.98 115.12 3i1f s PHE 247 Ca 0.24 0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.56 3i1f s PHE 247 Cb 0.00 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.98 3i1f s PHE 247 CO 0.00 -0.30 0.92 0.15 0.70 0.00 0.00 175.22 176.69 3i1f s LYS 248 N 2.15 2.95 0.58 0.44 1.02 -1.26 -1.74 119.74 123.87 3i1f s LYS 248 Ca 0.04 0.06 -0.19 0.00 0.02 0.00 0.00 55.97 55.90 3i1f s LYS 248 Cb -0.13 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 3i1f s LYS 248 CO -0.05 -0.71 1.23 0.08 -0.92 0.00 0.00 175.35 174.97 3i1f s VAL 249 N -3.02 2.58 -0.95 3.17 1.01 -0.70 -3.66 120.40 118.84 3i1f s VAL 249 Ca 0.54 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 3i1f s VAL 249 Cb -0.11 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 3i1f s VAL 249 CO 0.46 -0.06 0.75 0.47 0.00 0.00 0.00 175.10 176.72 3i1f n ASP 250 N -1.43 -6.25 -3.77 3.32 10.43 -0.67 -4.93 116.55 113.25 3i1f n ASP 250 Ca 0.13 -0.66 -0.28 0.00 2.57 0.00 0.00 54.79 56.55 3i1f n ASP 250 Cb 0.49 -3.99 -0.16 0.00 1.84 0.00 0.00 41.12 39.29 3i1f n ASP 250 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3i1f s GLN 251 N -4.61 0.79 -0.20 -1.24 -0.21 -1.24 -4.83 119.66 108.11 3i1f s GLN 251 Ca 0.24 -0.47 -0.39 0.00 0.02 0.00 0.00 55.36 54.76 3i1f s GLN 251 Cb -0.07 -2.12 -0.16 0.00 1.00 0.00 0.00 33.01 31.66 3i1f s GLN 251 CO 0.81 -0.62 1.65 0.39 -2.12 0.00 0.00 175.29 175.41 3i1f n GLU 252 N 5.00 1.15 -4.24 2.91 -0.58 -1.26 -4.25 120.64 119.38 3i1f n GLU 252 Ca -0.09 0.42 -0.13 0.00 -0.42 0.00 0.00 57.16 56.93 3i1f n GLU 252 Cb 0.47 -2.09 -0.10 0.00 -0.57 0.00 0.00 31.44 29.15 3i1f n GLU 252 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3i1f s ILE 253 N 2.87 0.88 -0.04 -3.67 -5.25 -0.69 -1.90 121.20 113.40 3i1f s ILE 253 Ca 0.95 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 58.64 3i1f s ILE 253 Cb -1.05 -1.95 0.01 0.00 2.95 0.00 0.00 42.46 42.42 3i1f s ILE 253 CO 0.62 -0.64 -0.12 -1.59 -1.79 0.00 0.00 174.94 171.42 3i1f s LYS 254 N -3.84 1.39 -0.09 0.37 -2.85 0.27 -2.39 119.74 112.61 3i1f s LYS 254 Ca 0.19 -0.40 -0.26 0.00 -1.00 0.00 0.00 55.97 54.50 3i1f s LYS 254 Cb 0.05 -1.22 -0.03 0.00 -2.06 0.00 0.00 37.83 34.57 3i1f s LYS 254 CO 0.01 0.11 0.81 0.08 0.10 0.00 0.00 175.35 176.46 3i1f s VAL 255 N 0.34 4.95 0.01 1.79 1.01 0.51 -2.62 120.40 126.38 3i1f s VAL 255 Ca -0.07 1.66 0.05 0.00 0.00 0.00 0.00 61.98 63.62 3i1f s VAL 255 Cb -0.12 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3i1f s VAL 255 CO 0.02 0.15 -0.17 -0.76 0.00 0.00 0.00 175.10 174.34 3i1f s LEU 256 N 1.31 2.08 0.59 3.92 1.43 -0.16 -2.21 118.68 125.64 3i1f s LEU 256 Ca 0.41 -0.36 0.39 0.00 -1.03 0.00 0.00 54.13 53.54 3i1f s LEU 256 Cb -0.18 -0.83 2.00 0.00 0.03 0.00 0.00 46.19 47.21 3i1f s LEU 256 CO 0.19 0.17 2.18 -0.65 0.23 0.00 0.00 176.35 178.46 3i1f h PRO 257 N 5.45 0.00 0.00 1.29 0.11 -1.85 1.01 132.00 138.01 3i1f h PRO 257 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3i1f h PRO 257 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i1f h PRO 257 CO 0.47 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.67 3i1f n GLY 258 N -0.82 0.65 2.92 -0.55 0.00 -1.04 -3.85 105.19 102.50 3i1f n GLY 258 Ca -0.02 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 3i1f n GLY 258 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i1f s LEU 259 N 0.00 1.58 -0.15 0.99 0.20 0.40 -4.89 118.68 116.81 3i1f s LEU 259 Ca 0.00 -0.11 -0.08 0.00 0.69 0.00 0.00 54.13 54.63 3i1f s LEU 259 Cb 0.00 -0.36 -0.04 0.00 -0.43 0.00 0.00 46.19 45.35 3i1f s LEU 259 CO 0.00 -0.01 0.12 -0.60 -0.29 0.00 0.00 176.35 175.58 3i1f s ARG 260 N 0.50 3.75 -0.17 1.98 3.52 -1.26 -0.26 118.95 127.00 3i1f s ARG 260 Ca -0.06 -0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 3i1f s ARG 260 Cb -0.10 -3.26 0.06 0.00 -1.56 0.00 0.00 34.95 30.09 3i1f s ARG 260 CO -0.00 0.55 0.05 0.08 -0.81 0.00 0.00 175.30 175.18 3i1f s VAL 261 N -0.38 0.29 -2.17 7.11 1.01 -0.08 -4.95 120.40 121.21 3i1f s VAL 261 Ca 0.11 -0.35 0.20 0.00 0.00 0.00 0.00 61.98 61.94 3i1f s VAL 261 Cb -0.12 -0.82 0.47 0.00 0.00 0.00 0.00 36.38 35.92 3i1f s VAL 261 CO 0.01 -0.20 1.44 -0.62 0.00 0.00 0.00 175.10 175.73 3i1f n GLU 262 N 5.14 2.26 -1.68 2.72 1.02 -1.26 -0.27 120.64 128.57 3i1f n GLU 262 Ca -0.08 -1.94 -0.44 0.00 -0.02 0.00 0.00 57.16 54.68 3i1f n GLU 262 Cb 0.48 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 3i1f n GLU 262 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i1f n LYS 263 N 1.10 2.59 -1.93 3.49 0.00 -1.26 -0.22 118.16 121.93 3i1f n LYS 263 Ca 0.19 0.94 -0.02 0.00 0.00 0.00 0.00 58.31 59.42 3i1f n LYS 263 Cb 0.48 -2.82 -0.00 0.00 0.00 0.00 0.00 35.03 32.69 3i1f n LYS 263 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3i1f n GLN 264 N 5.72 -0.14 -2.58 1.64 -0.06 -1.26 -3.44 117.38 117.26 3i1f n GLN 264 Ca 0.19 0.14 -0.14 0.00 -2.00 0.00 0.00 57.00 55.19 3i1f n GLN 264 Cb 0.35 -3.73 -0.00 0.00 -4.06 0.00 0.00 30.24 22.79 3i1f n GLN 264 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i1f n GLY 265 N -1.19 -0.50 0.09 1.69 0.00 0.69 -4.86 105.19 101.11 3i1f n GLY 265 Ca -0.02 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3i1f n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1f h LYS 266 N -0.17 0.05 -5.67 1.61 1.79 -1.51 -3.50 116.57 109.17 3i1f h LYS 266 Ca -0.32 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 57.96 3i1f h LYS 266 Cb 1.23 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3i1f h LYS 266 CO 0.38 1.04 -0.26 0.28 -1.08 0.00 0.00 179.45 179.81 3i1f n VAL 267 N -4.42 -8.71 -4.49 0.50 0.31 -0.40 -4.94 118.33 96.20 3i1f n VAL 267 Ca -0.21 -0.15 -0.22 0.00 -0.01 0.00 0.00 64.34 63.75 3i1f n VAL 267 Cb 0.64 -6.07 -0.14 0.00 -0.91 0.00 0.00 33.84 27.36 3i1f n VAL 267 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3i1f s SER 268 N -2.97 1.80 -0.25 4.52 0.15 0.63 -4.88 113.70 112.70 3i1f s SER 268 Ca 0.01 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 3i1f s SER 268 Cb -0.00 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 3i1f s SER 268 CO 0.78 0.09 0.13 -0.31 1.20 0.00 0.00 173.24 175.13 3i1f s TYR 269 N -0.70 3.20 -0.01 3.44 1.51 -1.25 -0.91 117.35 122.64 3i1f s TYR 269 Ca 0.04 -0.03 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 3i1f s TYR 269 Cb -0.07 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 3i1f s TYR 269 CO 0.01 -0.12 0.14 -1.21 -1.11 0.00 0.00 175.55 173.25 3i1f s GLU 270 N 1.34 3.26 0.59 -0.62 2.02 0.64 -4.85 118.70 121.08 3i1f s GLU 270 Ca 0.06 -0.40 -0.18 0.00 0.02 0.00 0.00 54.97 54.48 3i1f s GLU 270 Cb -0.15 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 3i1f s GLU 270 CO 0.06 0.66 1.15 -2.14 0.02 0.00 0.00 175.26 175.01 3i1f s PRO 271 N -1.83 3.08 -0.36 0.39 0.02 -1.25 -0.45 135.00 134.60 3i1f s PRO 271 Ca 0.25 1.63 -0.08 0.00 0.02 0.00 0.00 61.00 62.82 3i1f s PRO 271 Cb -0.12 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.47 3i1f s PRO 271 CO 0.16 -1.07 0.15 0.42 -0.33 0.00 0.00 177.00 176.34 3i1f s ILE 272 N -1.85 4.06 0.03 2.83 1.01 -0.94 -4.83 121.20 121.52 3i1f s ILE 272 Ca 0.73 -1.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 3i1f s ILE 272 Cb -0.25 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 3i1f s ILE 272 CO 0.32 -0.24 0.35 -0.36 0.00 0.00 0.00 174.94 175.01 3i1f s PHE 273 N 1.45 3.61 -0.09 3.97 0.08 -1.26 -0.37 117.98 125.36 3i1f s PHE 273 Ca 0.00 0.74 -0.32 0.00 0.12 0.00 0.00 56.93 57.47 3i1f s PHE 273 Cb -0.20 -2.12 0.14 0.00 -0.57 0.00 0.00 43.02 40.28 3i1f s PHE 273 CO 0.04 0.58 1.43 -0.08 -0.10 0.00 0.00 175.22 177.08 3i1f s THR 274 N -1.30 0.00 0.00 0.64 -1.32 -1.00 -4.93 115.64 107.72 3i1f s THR 274 Ca 0.29 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 3i1f s THR 274 Cb -0.14 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 3i1f s THR 274 CO 0.16 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 172.86 3i1f n LYS 275 N -0.58 1.08 -4.53 7.08 4.01 -1.26 -1.70 118.16 122.26 3i1f n LYS 275 Ca -0.07 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.47 3i1f n LYS 275 Cb 0.63 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 35.01 3i1f n LYS 275 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3i1f s ILE 276 N 0.92 1.75 0.00 -0.18 1.01 -1.26 -3.84 121.20 119.60 3i1f s ILE 276 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.29 3i1f s ILE 276 Cb 0.00 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3i1f s ILE 276 CO 0.00 0.12 0.00 -1.54 0.00 0.00 0.00 174.94 173.52 3i1f n SER 277 N 1.53 0.00 0.00 3.58 3.41 0.40 -1.68 113.62 120.87 3i1f n SER 277 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3i1f n SER 277 Cb 0.53 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3i1f n SER 277 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i1f n SER 278 N -2.22 0.00 -3.41 4.04 2.88 -1.19 -4.86 113.62 108.86 3i1f n SER 278 Ca 0.00 0.11 -0.14 0.00 -1.33 0.00 0.00 58.87 57.50 3i1f n SER 278 Cb 0.00 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 3i1f n SER 278 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3i1f n ILE 279 N -0.75 -6.70 -3.80 2.46 5.41 -0.97 -4.67 119.36 110.34 3i1f n ILE 279 Ca 0.00 -0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.58 3i1f n ILE 279 Cb 0.00 -4.91 -0.13 0.00 -0.71 0.00 0.00 39.64 33.89 3i1f n ILE 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1f s ARG 280 N -3.83 0.16 -1.12 0.38 1.70 -0.29 -2.66 118.95 113.30 3i1f s ARG 280 Ca 0.04 0.26 -0.16 0.00 -0.47 0.00 0.00 55.73 55.40 3i1f s ARG 280 Cb -0.01 0.03 -0.07 0.00 -0.57 0.00 0.00 34.95 34.33 3i1f s ARG 280 CO 0.83 -0.06 2.14 1.19 -1.08 0.00 0.00 175.30 178.32 3i1f n PHE 281 N 3.29 2.52 0.00 5.89 3.01 -0.75 0.46 117.46 131.87 3i1f n PHE 281 Ca -0.16 -2.38 0.00 0.00 1.01 0.00 0.00 57.45 55.93 3i1f n PHE 281 Cb 0.57 -2.09 0.00 0.00 -0.01 0.00 0.00 39.48 37.95 3i1f n PHE 281 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1f n GLY 282 N 4.22 1.75 0.11 1.37 0.00 -1.26 -3.77 105.19 107.61 3i1f n GLY 282 Ca 0.52 0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.58 3i1f n GLY 282 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1f n ASP 283 N 4.12 1.90 -4.73 1.61 3.85 -1.26 -4.38 116.55 117.67 3i1f n ASP 283 Ca 0.00 0.41 -0.42 0.00 -0.71 0.00 0.00 54.79 54.07 3i1f n ASP 283 Cb 0.00 -0.86 -0.03 0.00 -1.35 0.00 0.00 41.12 38.88 3i1f n ASP 283 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3i1f s GLU 284 N -2.49 4.22 0.20 0.11 2.02 -1.25 -5.01 118.70 116.50 3i1f s GLU 284 Ca -0.30 2.37 -0.03 0.00 0.02 0.00 0.00 54.97 57.03 3i1f s GLU 284 Cb 0.08 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 3i1f s GLU 284 CO 0.46 -0.57 0.42 -1.21 0.02 0.00 0.00 175.26 174.38 3i1f s GLU 285 N 0.69 3.58 -0.13 1.61 8.01 -1.26 -1.82 118.70 129.38 3i1f s GLU 285 Ca 0.67 -0.18 -0.16 0.00 0.01 0.00 0.00 54.97 55.31 3i1f s GLU 285 Cb -0.44 -2.80 0.04 0.00 -4.31 0.00 0.00 34.13 26.62 3i1f s GLU 285 CO 0.35 0.39 0.43 -0.06 0.01 0.00 0.00 175.26 176.38 3i1f s PHE 286 N -1.84 -0.44 -0.68 1.61 0.40 -1.09 -4.96 117.98 110.98 3i1f s PHE 286 Ca 0.40 1.02 0.14 0.00 -0.60 0.00 0.00 56.93 57.90 3i1f s PHE 286 Cb -0.11 0.17 0.67 0.00 0.51 0.00 0.00 43.02 44.26 3i1f s PHE 286 CO 0.28 -0.28 1.45 0.36 0.70 0.00 0.00 175.22 177.72 3i1f n LYS 287 N 2.46 0.08 -3.77 0.44 0.00 -1.26 -4.70 118.16 111.40 3i1f n LYS 287 Ca -0.15 0.45 -0.03 0.00 -0.00 0.00 0.00 58.31 58.59 3i1f n LYS 287 Cb 0.57 -1.70 -0.00 0.00 -0.00 0.00 0.00 35.03 33.89 3i1f n LYS 287 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3i1f s GLU 288 N -3.21 1.12 -0.01 -1.58 -1.05 -1.26 -1.72 118.70 110.99 3i1f s GLU 288 Ca 0.02 -0.65 -0.02 0.00 -0.15 0.00 0.00 54.97 54.17 3i1f s GLU 288 Cb 0.06 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 3i1f s GLU 288 CO 0.21 -0.52 0.05 0.00 0.95 0.00 0.00 175.26 175.95 3i1f s ALA 289 N -2.86 -0.11 0.51 -0.84 0.00 -0.71 -4.98 121.76 112.77 3i1f s ALA 289 Ca 0.15 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.14 3i1f s ALA 289 Cb -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 3i1f s ALA 289 CO 0.02 -0.07 0.15 0.15 0.00 0.00 0.00 175.76 176.01 3i1f s LYS 290 N -0.37 2.21 0.17 0.00 1.02 -1.26 -1.60 119.74 119.91 3i1f s LYS 290 Ca -0.04 -2.22 -0.32 0.00 0.02 0.00 0.00 55.97 53.40 3i1f s LYS 290 Cb -0.03 -1.76 -0.12 0.00 -0.52 0.00 0.00 37.83 35.40 3i1f s LYS 290 CO 0.00 -0.41 1.72 -2.30 -0.92 0.00 0.00 175.35 173.44 3i1f n PRO 291 N -1.41 2.62 0.00 -1.68 -0.02 -1.25 -4.53 135.00 128.73 3i1f n PRO 291 Ca -0.11 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3i1f n PRO 291 Cb 0.66 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3i1f n PRO 291 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1f n GLY 292 N 3.92 3.29 0.00 -1.23 0.00 -1.24 -4.73 105.19 105.20 3i1f n GLY 292 Ca 0.17 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3i1f n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1f n GLY 293 N 0.00 -0.39 3.35 -0.02 0.00 -1.21 -4.31 105.19 102.60 3i1f n GLY 293 Ca 0.00 -1.74 -0.46 0.00 0.00 0.00 0.00 46.02 43.82 3i1f n GLY 293 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1f s LEU 294 N -2.57 6.50 0.15 0.99 1.02 -1.26 -4.37 118.68 119.14 3i1f s LEU 294 Ca 0.00 -2.68 -0.24 0.00 0.02 0.00 0.00 54.13 51.23 3i1f s LEU 294 Cb 0.00 -2.24 -0.08 0.00 0.02 0.00 0.00 46.19 43.90 3i1f s LEU 294 CO 0.00 -0.62 0.74 0.54 0.02 0.00 0.00 176.35 177.04 3i1f s VAL 295 N 0.41 4.43 -0.30 -1.59 0.11 -0.57 -4.37 120.40 118.51 3i1f s VAL 295 Ca 0.21 1.63 -0.14 0.00 -2.93 0.00 0.00 61.98 60.75 3i1f s VAL 295 Cb -0.09 -4.10 -0.03 0.00 -1.53 0.00 0.00 36.38 30.63 3i1f s VAL 295 CO -0.09 0.53 0.32 0.00 -3.33 0.00 0.00 175.10 172.53 3i1f s ALA 296 N -1.12 3.53 -0.23 1.54 0.00 0.17 -2.11 121.76 123.54 3i1f s ALA 296 Ca 0.35 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 3i1f s ALA 296 Cb -0.23 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 3i1f s ALA 296 CO 0.25 -0.81 0.18 0.42 0.00 0.00 0.00 175.76 175.80 3i1f s ILE 297 N 1.96 5.35 -0.11 0.00 -1.09 0.55 -1.13 121.20 126.72 3i1f s ILE 297 Ca 0.11 0.23 -0.15 0.00 -2.23 0.00 0.00 60.65 58.62 3i1f s ILE 297 Cb -0.16 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 3i1f s ILE 297 CO 0.11 0.35 0.36 -0.83 -1.23 0.00 0.00 174.94 173.70 3i1f s GLY 298 N 0.94 2.31 0.14 6.18 0.00 -1.26 0.15 107.32 115.78 3i1f s GLY 298 Ca 0.09 -0.35 0.08 0.00 0.00 0.00 0.00 44.72 44.54 3i1f s GLY 298 CO 0.04 0.42 -0.19 -0.51 0.00 0.00 0.00 173.10 172.85 3i1f s THR 299 N 0.11 1.80 -1.79 0.90 -4.23 -0.68 -0.45 115.64 111.29 3i1f s THR 299 Ca 0.20 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3i1f s THR 299 Cb -0.14 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.95 3i1f s THR 299 CO 0.07 -0.21 0.41 -1.22 -0.54 0.00 0.00 174.62 173.13 3i1f n TYR 300 N 0.59 0.00 -2.18 3.99 4.01 -1.25 -2.92 117.16 119.40 3i1f n TYR 300 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 3i1f n TYR 300 Cb 0.56 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 3i1f n TYR 300 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i1f s LEU 301 N -0.79 4.29 -0.20 7.72 1.43 -1.26 -4.80 118.68 125.07 3i1f s LEU 301 Ca 0.00 2.08 -0.40 0.00 -1.03 0.00 0.00 54.13 54.78 3i1f s LEU 301 Cb 0.00 -3.55 -0.18 0.00 0.03 0.00 0.00 46.19 42.49 3i1f s LEU 301 CO 0.00 -0.81 1.20 -0.67 0.23 0.00 0.00 176.35 176.30 3i1f n ASP 302 N 6.30 0.49 -0.34 2.29 -0.08 -1.26 0.15 116.55 124.10 3i1f n ASP 302 Ca 0.15 1.08 0.36 0.00 -1.51 0.00 0.00 54.79 54.87 3i1f n ASP 302 Cb 0.43 -0.83 0.68 0.00 2.34 0.00 0.00 41.12 43.75 3i1f n ASP 302 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i1f h PRO 303 N 3.58 0.00 0.00 -0.67 0.11 -1.85 0.25 132.00 133.42 3i1f h PRO 303 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i1f h PRO 303 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i1f h PRO 303 CO 0.73 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.95 3i1f n SER 304 N -3.76 0.76 0.01 -2.05 7.64 -1.26 -1.54 113.62 113.42 3i1f n SER 304 Ca 0.28 0.64 -0.18 0.00 1.01 0.00 0.00 58.87 60.61 3i1f n SER 304 Cb 1.46 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 63.74 3i1f n SER 304 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i1f h LEU 305 N 0.00 0.71 0.00 -3.43 -0.00 -0.81 -3.38 115.31 108.40 3i1f h LEU 305 Ca 0.00 -0.72 -0.00 0.00 -0.00 0.00 0.00 57.88 57.15 3i1f h LEU 305 Cb 0.51 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 3i1f h LEU 305 CO 0.00 1.34 -1.74 0.35 -0.00 0.00 0.00 178.44 178.39 3i1f n THR 306 N -4.07 0.01 -1.62 0.22 -2.24 -1.19 -3.86 114.28 101.52 3i1f n THR 306 Ca -0.10 -0.37 -0.52 0.00 -2.27 0.00 0.00 64.05 60.78 3i1f n THR 306 Cb 0.74 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3i1f n THR 306 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i1f n LYS 307 N -2.07 1.25 -3.37 -0.78 4.81 -0.59 -1.45 118.16 115.97 3i1f n LYS 307 Ca -0.03 0.45 -0.16 0.00 -0.87 0.00 0.00 58.31 57.70 3i1f n LYS 307 Cb 0.43 -2.12 0.08 0.00 0.02 0.00 0.00 35.03 33.44 3i1f n LYS 307 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1f n ALA 308 N 3.21 -2.14 -3.89 3.14 0.00 -1.26 -2.73 120.51 116.84 3i1f n ALA 308 Ca 0.20 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 3i1f n ALA 308 Cb 0.19 -3.31 0.03 0.00 0.00 0.00 0.00 19.45 16.36 3i1f n ALA 308 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1f n ASP 309 N -3.15 -4.89 -0.05 0.00 8.00 0.39 -4.85 116.55 112.00 3i1f n ASP 309 Ca -0.23 -0.76 -0.06 0.00 0.71 0.00 0.00 54.79 54.45 3i1f n ASP 309 Cb 0.66 -3.97 0.13 0.00 -0.02 0.00 0.00 41.12 37.92 3i1f n ASP 309 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3i1f h ASN 310 N -2.14 0.68 -0.96 -2.24 -1.24 -1.29 -3.07 115.58 105.32 3i1f h ASN 310 Ca -0.58 -0.23 -0.61 0.00 0.71 0.00 0.00 56.30 55.58 3i1f h ASN 310 Cb 1.38 -0.18 -0.30 0.00 0.73 0.00 0.00 38.32 39.94 3i1f h ASN 310 CO 0.66 0.89 0.67 0.18 -1.29 0.00 0.00 177.43 178.54 3i1f n LEU 311 N -4.12 7.16 -4.67 0.34 4.77 -1.25 -4.99 117.00 114.24 3i1f n LEU 311 Ca 0.00 -4.14 -0.43 0.00 -0.03 0.00 0.00 56.01 51.41 3i1f n LEU 311 Cb 0.42 -0.89 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 3i1f n LEU 311 CO 0.43 1.41 1.12 -1.48 -1.33 0.00 0.00 177.39 177.54 3i1f s LEU 312 N -3.67 4.23 0.00 2.23 2.34 -1.16 -3.26 118.68 119.39 3i1f s LEU 312 Ca 0.61 1.85 0.00 0.00 0.06 0.00 0.00 54.13 56.65 3i1f s LEU 312 Cb 0.49 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.58 3i1f s LEU 312 CO 0.02 -0.76 0.00 0.61 -1.06 0.00 0.00 176.35 175.16 3i1f n GLY 313 N 3.67 2.50 3.52 -3.48 0.00 -1.19 -4.89 105.19 105.32 3i1f n GLY 313 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3i1f n GLY 313 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1f n SER 314 N 0.00 -1.01 -4.16 1.61 3.41 -1.20 -2.52 113.62 109.74 3i1f n SER 314 Ca 0.00 0.14 -0.28 0.00 -0.26 0.00 0.00 58.87 58.47 3i1f n SER 314 Cb 0.00 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 62.48 3i1f n SER 314 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3i1f s ILE 315 N -2.48 1.59 0.15 -1.33 -4.36 0.35 -1.54 121.20 113.59 3i1f s ILE 315 Ca 0.65 -0.79 0.01 0.00 -0.26 0.00 0.00 60.65 60.26 3i1f s ILE 315 Cb -0.23 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 3i1f s ILE 315 CO 0.63 0.45 0.30 -0.63 0.24 0.00 0.00 174.94 175.94 3i1f s ILE 316 N 0.14 5.30 0.05 8.37 -1.09 -1.25 -0.99 121.20 131.74 3i1f s ILE 316 Ca -0.08 -0.57 -0.28 0.00 -2.23 0.00 0.00 60.65 57.50 3i1f s ILE 316 Cb -0.13 -3.73 0.09 0.00 -1.58 0.00 0.00 42.46 37.11 3i1f s ILE 316 CO 0.04 -0.09 0.95 0.28 -1.23 0.00 0.00 174.94 174.89 3i1f s THR 317 N -1.75 0.00 0.89 2.92 -1.32 -1.08 -0.96 115.64 114.35 3i1f s THR 317 Ca 0.36 -0.28 -0.13 0.00 -1.21 0.00 0.00 61.69 60.42 3i1f s THR 317 Cb -0.11 -1.46 0.05 0.00 -1.51 0.00 0.00 72.50 69.46 3i1f s THR 317 CO 0.29 0.00 0.63 0.18 -2.21 0.00 0.00 174.62 173.50 3i1f n LEU 318 N -0.35 1.00 -0.09 9.08 4.77 -1.25 0.96 117.00 131.13 3i1f n LEU 318 Ca -0.07 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3i1f n LEU 318 Cb 0.61 -1.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.37 3i1f n LEU 318 CO 0.12 -3.11 0.60 0.00 -1.33 0.00 0.00 177.39 173.67 3i1f h ALA 319 N -1.35 0.37 0.00 -1.18 0.00 -1.66 -2.58 119.26 112.86 3i1f h ALA 319 Ca -0.44 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3i1f h ALA 319 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i1f h ALA 319 CO 0.38 0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 3i1f n ASP 320 N -4.37 0.00 -4.79 0.00 3.85 -1.26 -4.74 116.55 105.23 3i1f n ASP 320 Ca -0.04 -0.24 -0.34 0.00 -0.71 0.00 0.00 54.79 53.46 3i1f n ASP 320 Cb 0.42 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.18 3i1f n ASP 320 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1f s ALA 321 N -2.00 2.76 -0.75 2.12 0.00 -0.97 -5.01 121.76 117.91 3i1f s ALA 321 Ca 0.06 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.62 3i1f s ALA 321 Cb 0.03 -3.27 0.19 0.00 0.00 0.00 0.00 23.12 20.07 3i1f s ALA 321 CO 0.05 -0.66 0.60 -0.85 0.00 0.00 0.00 175.76 174.90 3i1f n GLU 322 N -1.54 2.13 -3.90 0.00 0.00 -1.26 -5.03 120.64 111.04 3i1f n GLU 322 Ca 0.10 -4.52 -0.35 0.00 0.00 0.00 0.00 57.16 52.39 3i1f n GLU 322 Cb 0.52 -2.32 -0.14 0.00 0.00 0.00 0.00 31.44 29.51 3i1f n GLU 322 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3i1f s VAL 323 N -1.59 3.55 -0.73 3.84 1.01 -1.26 -4.94 120.40 120.27 3i1f s VAL 323 Ca 0.27 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 3i1f s VAL 323 Cb -0.02 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.77 3i1f s VAL 323 CO -0.14 0.41 1.23 -2.84 0.00 0.00 0.00 175.10 173.76 3i1f s PRO 324 N 1.47 3.18 -0.02 2.72 0.02 -1.26 -4.89 135.00 136.21 3i1f s PRO 324 Ca 0.06 -0.35 -0.30 0.00 0.02 0.00 0.00 61.00 60.43 3i1f s PRO 324 Cb -0.14 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.14 3i1f s PRO 324 CO -0.02 -2.09 1.24 0.08 -0.33 0.00 0.00 177.00 175.88 3i1f s VAL 325 N 5.45 4.11 -0.02 3.83 1.01 -1.26 -3.58 120.40 129.94 3i1f s VAL 325 Ca 0.33 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.82 3i1f s VAL 325 Cb -0.09 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3i1f s VAL 325 CO 0.14 0.02 -0.18 -0.76 0.00 0.00 0.00 175.10 174.32 3i1f s LEU 326 N 2.05 2.02 0.09 3.92 1.43 -0.16 -4.81 118.68 123.23 3i1f s LEU 326 Ca 0.58 -0.33 0.22 0.00 -1.03 0.00 0.00 54.13 53.57 3i1f s LEU 326 Cb -0.27 -0.93 -0.16 0.00 0.03 0.00 0.00 46.19 44.86 3i1f s LEU 326 CO 0.24 0.21 0.77 0.79 0.23 0.00 0.00 176.35 178.59 3i1f n TRP 327 N 2.70 0.51 -3.91 0.29 7.02 -1.26 0.32 117.44 123.10 3i1f n TRP 327 Ca -0.15 0.15 -0.23 0.00 -1.02 0.00 0.00 57.50 56.25 3i1f n TRP 327 Cb 0.54 -0.75 -0.05 0.00 -2.42 0.00 0.00 31.31 28.62 3i1f n TRP 327 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3i1f s ASN 328 N -4.97 4.73 -0.29 -0.99 0.01 -1.26 0.12 114.94 112.29 3i1f s ASN 328 Ca -0.04 -0.87 -0.15 0.00 -0.71 0.00 0.00 52.86 51.08 3i1f s ASN 328 Cb 0.12 -0.59 0.13 0.00 0.41 0.00 0.00 41.25 41.32 3i1f s ASN 328 CO 0.85 -0.52 0.90 -0.51 -1.51 0.00 0.00 177.10 176.30 3i1f s ILE 329 N -2.51 -0.14 -0.53 0.60 2.07 -1.04 -4.93 121.20 114.72 3i1f s ILE 329 Ca 0.43 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.51 3i1f s ILE 329 Cb -0.00 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.70 3i1f s ILE 329 CO 0.25 0.00 0.50 -0.60 -1.91 0.00 0.00 174.94 173.18 3i1f s ARG 330 N 1.68 3.00 -0.19 3.50 3.52 -1.26 -2.61 118.95 126.59 3i1f s ARG 330 Ca -0.08 -1.54 -0.13 0.00 -0.13 0.00 0.00 55.73 53.86 3i1f s ARG 330 Cb -0.05 -4.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.05 3i1f s ARG 330 CO -0.17 -1.27 0.24 0.96 -0.81 0.00 0.00 175.30 174.26 3i1f s ILE 331 N 1.77 5.33 -0.62 4.11 -4.36 -0.90 -0.30 121.20 126.23 3i1f s ILE 331 Ca 0.05 0.42 -0.27 0.00 -0.26 0.00 0.00 60.65 60.58 3i1f s ILE 331 Cb -0.27 -3.58 0.03 0.00 1.25 0.00 0.00 42.46 39.89 3i1f s ILE 331 CO 0.05 0.38 1.17 -0.75 0.24 0.00 0.00 174.94 176.03 3i1f s LYS 332 N 0.60 3.38 -0.07 0.37 2.36 0.38 -1.42 119.74 125.34 3i1f s LYS 332 Ca 0.13 -0.00 -0.03 0.00 -2.55 0.00 0.00 55.97 53.52 3i1f s LYS 332 Cb -0.13 -4.07 -0.04 0.00 -1.05 0.00 0.00 37.83 32.54 3i1f s LYS 332 CO 0.03 -1.79 0.05 1.52 1.55 0.00 0.00 175.35 176.71 3i1f s TYR 333 N 4.99 3.29 -0.12 4.03 -0.85 0.31 -0.53 117.35 128.46 3i1f s TYR 333 Ca 0.38 0.27 0.02 0.00 -0.52 0.00 0.00 57.07 57.22 3i1f s TYR 333 Cb -0.09 -1.81 -0.01 0.00 0.38 0.00 0.00 41.96 40.44 3i1f s TYR 333 CO 0.21 0.55 -0.19 1.21 -1.52 0.00 0.00 175.55 175.81 3i1f s ASN 334 N -1.14 3.52 -0.01 -0.18 3.84 -0.10 -4.54 114.94 116.33 3i1f s ASN 334 Ca 0.16 -0.46 -0.03 0.00 0.21 0.00 0.00 52.86 52.74 3i1f s ASN 334 Cb -0.12 -1.51 -0.04 0.00 -0.55 0.00 0.00 41.25 39.04 3i1f s ASN 334 CO 0.06 0.16 0.19 -0.22 -2.79 0.00 0.00 177.10 174.49 3i1f s LEU 335 N 0.39 4.37 0.39 3.21 2.96 -1.26 -0.90 118.68 127.83 3i1f s LEU 335 Ca -0.14 0.37 -0.25 0.00 -0.22 0.00 0.00 54.13 53.89 3i1f s LEU 335 Cb -0.17 -2.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.83 3i1f s LEU 335 CO 0.07 0.27 1.06 -0.22 -1.32 0.00 0.00 176.35 176.20 3i1f s LEU 336 N -1.90 4.19 0.06 -0.68 2.96 0.05 -4.95 118.68 118.40 3i1f s LEU 336 Ca 0.27 2.07 -0.37 0.00 -0.22 0.00 0.00 54.13 55.89 3i1f s LEU 336 Cb -0.13 -4.12 -0.20 0.00 0.50 0.00 0.00 46.19 42.24 3i1f s LEU 336 CO 0.18 -0.46 1.55 -0.33 -1.32 0.00 0.00 176.35 175.97 3i1f h GLU 337 N 2.65 -1.27 -2.95 1.98 3.07 -1.93 -3.40 114.58 112.73 3i1f h GLU 337 Ca -0.48 0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 58.33 3i1f h GLU 337 Cb 1.22 0.29 -0.23 0.00 -0.84 0.00 0.00 28.75 29.18 3i1f h GLU 337 CO 0.63 -0.84 -0.31 -0.98 -1.40 0.00 0.00 179.01 176.10 3i1f s ARG 338 N -5.88 0.46 0.40 2.33 1.70 -1.26 -2.03 118.95 114.67 3i1f s ARG 338 Ca -0.19 0.29 0.08 0.00 -0.47 0.00 0.00 55.73 55.44 3i1f s ARG 338 Cb 0.02 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 3i1f s ARG 338 CO 0.58 -0.08 0.35 0.14 -1.08 0.00 0.00 175.30 175.21 3i1f s VAL 339 N -0.22 2.80 0.31 4.99 -7.23 0.29 -4.91 120.40 116.43 3i1f s VAL 339 Ca -0.04 -1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 3i1f s VAL 339 Cb -0.03 -3.03 -0.10 0.00 0.56 0.00 0.00 36.38 33.78 3i1f s VAL 339 CO 0.01 -0.03 1.23 -0.69 -0.31 0.00 0.00 175.10 175.31 3i1f s VAL 340 N -2.45 3.01 0.47 1.32 1.01 -1.26 -1.87 120.40 120.63 3i1f s VAL 340 Ca 0.46 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.47 3i1f s VAL 340 Cb -0.03 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.72 3i1f s VAL 340 CO 0.27 0.24 0.13 0.61 0.00 0.00 0.00 175.10 176.35 3i1f n GLY 341 N 0.95 3.33 0.03 4.51 0.00 -1.20 -4.64 105.19 108.17 3i1f n GLY 341 Ca -0.00 -2.33 -0.00 0.00 0.00 0.00 0.00 46.02 43.68 3i1f n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1f h ALA 342 N 1.04 0.00 0.05 4.61 0.00 -1.96 -3.43 119.26 119.58 3i1f h ALA 342 Ca -0.36 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.17 3i1f h ALA 342 Cb 1.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3i1f h ALA 342 CO 0.59 0.03 -1.89 1.63 0.00 0.00 0.00 179.25 179.61 3i1f n LYS 343 N -3.65 0.66 -1.78 0.00 4.76 -1.26 -5.03 118.16 111.86 3i1f n LYS 343 Ca -0.00 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 3i1f n LYS 343 Cb 0.02 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 3i1f n LYS 343 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i1f n GLU 344 N -3.86 0.94 -2.77 1.97 -0.58 -1.26 -5.14 120.64 109.93 3i1f n GLU 344 Ca -0.37 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 55.97 3i1f n GLU 344 Cb 0.90 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.71 3i1f n GLU 344 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3i1f s MET 345 N -1.67 4.81 -0.18 3.49 1.75 -1.26 -3.22 119.30 123.02 3i1f s MET 345 Ca 0.00 1.45 -0.05 0.00 -1.25 0.00 0.00 55.69 55.84 3i1f s MET 345 Cb 0.00 -3.29 -0.03 0.00 2.84 0.00 0.00 34.83 34.36 3i1f s MET 345 CO 0.00 0.50 -0.01 -0.51 -0.65 0.00 0.00 175.02 174.34 3i1f s LEU 346 N -1.06 3.31 0.06 4.11 2.01 -0.78 -4.86 118.68 121.46 3i1f s LEU 346 Ca 0.41 -0.14 -0.03 0.00 0.01 0.00 0.00 54.13 54.38 3i1f s LEU 346 Cb -0.25 -1.82 -0.05 0.00 0.01 0.00 0.00 46.19 44.08 3i1f s LEU 346 CO 0.31 0.13 0.26 -0.54 1.01 0.00 0.00 176.35 177.52 3i1f s LYS 347 N 0.61 3.51 -0.15 1.70 3.01 -1.26 0.11 119.74 127.27 3i1f s LYS 347 Ca -0.01 -0.25 -0.21 0.00 -1.01 0.00 0.00 55.97 54.48 3i1f s LYS 347 Cb -0.14 -3.01 -0.03 0.00 -1.01 0.00 0.00 37.83 33.64 3i1f s LYS 347 CO 0.02 0.59 0.62 0.08 0.51 0.00 0.00 175.35 177.17 3i1f s VAL 348 N -1.47 5.06 0.32 3.17 1.01 -0.86 -4.83 120.40 122.80 3i1f s VAL 348 Ca 0.34 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.54 3i1f s VAL 348 Cb -0.13 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3i1f s VAL 348 CO 0.23 0.18 0.50 1.51 0.00 0.00 0.00 175.10 177.52 3i1f s ASP 349 N 1.00 6.26 0.45 3.32 1.47 -1.26 -4.93 116.67 122.98 3i1f s ASP 349 Ca 0.30 0.30 -0.23 0.00 1.18 0.00 0.00 52.55 54.10 3i1f s ASP 349 Cb -0.16 -1.92 -0.10 0.00 -0.34 0.00 0.00 42.92 40.40 3i1f s ASP 349 CO 0.12 -0.26 0.90 -2.65 0.68 0.00 0.00 175.17 173.97 3i1f n PRO 350 N -1.69 1.12 -1.69 2.11 -0.02 -1.26 -4.82 135.00 128.76 3i1f n PRO 350 Ca -0.05 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 3i1f n PRO 350 Cb 0.57 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 3i1f n PRO 350 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1f s ILE 351 N -1.36 3.07 0.65 4.25 -1.09 -1.26 -4.95 121.20 120.51 3i1f s ILE 351 Ca 0.65 0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.98 3i1f s ILE 351 Cb -0.54 -3.06 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 3i1f s ILE 351 CO 0.56 -0.02 1.20 -0.60 -1.23 0.00 0.00 174.94 174.85 3i1f s ARG 352 N 4.95 2.67 0.27 2.79 3.52 -1.26 -5.00 118.95 126.89 3i1f s ARG 352 Ca 0.90 1.76 -0.17 0.00 -0.13 0.00 0.00 55.73 58.09 3i1f s ARG 352 Cb -0.39 -1.90 -0.09 0.00 -1.56 0.00 0.00 34.95 31.02 3i1f s ARG 352 CO 0.39 -1.43 0.72 0.00 -0.81 0.00 0.00 175.30 174.17 3i1f s ALA 353 N -1.81 3.37 0.00 6.12 0.00 -1.26 -3.38 121.76 124.81 3i1f s ALA 353 Ca 0.75 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3i1f s ALA 353 Cb -0.29 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3i1f s ALA 353 CO 0.38 0.34 0.00 1.17 0.00 0.00 0.00 175.76 177.65 3i1f n LYS 354 N 0.13 0.00 -0.69 0.00 3.00 -0.87 -4.94 118.16 114.78 3i1f n LYS 354 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 3i1f n LYS 354 Cb 0.52 -3.09 0.16 0.00 0.00 0.00 0.00 35.03 32.62 3i1f n LYS 354 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3i1f n GLU 355 N -1.99 -0.70 -4.35 1.64 2.13 -1.22 -4.33 120.64 111.83 3i1f n GLU 355 Ca 0.00 -0.15 -0.34 0.00 0.66 0.00 0.00 57.16 57.33 3i1f n GLU 355 Cb 0.00 -2.13 -0.13 0.00 0.27 0.00 0.00 31.44 29.46 3i1f n GLU 355 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3i1f s THR 356 N -2.50 3.77 0.30 6.31 2.01 -1.26 -0.31 115.64 123.96 3i1f s THR 356 Ca 0.63 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3i1f s THR 356 Cb -0.22 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 3i1f s THR 356 CO 0.63 0.48 0.07 -0.76 -0.69 0.00 0.00 174.62 174.35 3i1f s LEU 357 N 0.57 2.01 0.00 4.42 1.02 -0.71 -4.68 118.68 121.31 3i1f s LEU 357 Ca -0.03 -1.38 0.02 0.00 0.02 0.00 0.00 54.13 52.76 3i1f s LEU 357 Cb -0.14 -0.26 -0.01 0.00 0.02 0.00 0.00 46.19 45.80 3i1f s LEU 357 CO 0.03 -0.65 -0.08 0.00 0.02 0.00 0.00 176.35 175.67 3i1f s MET 358 N -3.94 0.60 0.51 1.70 0.23 -0.94 -0.59 119.30 116.89 3i1f s MET 358 Ca 0.37 -0.33 0.05 0.00 -1.03 0.00 0.00 55.69 54.75 3i1f s MET 358 Cb 0.08 -0.57 0.02 0.00 -1.53 0.00 0.00 34.83 32.83 3i1f s MET 358 CO 0.15 0.15 0.33 -0.51 -2.03 0.00 0.00 175.02 173.11 3i1f s LEU 359 N -0.36 2.77 -0.35 0.18 2.01 -1.09 -0.38 118.68 121.46 3i1f s LEU 359 Ca 0.02 -1.23 -0.03 0.00 0.01 0.00 0.00 54.13 52.90 3i1f s LEU 359 Cb -0.04 -1.25 0.07 0.00 0.01 0.00 0.00 46.19 44.99 3i1f s LEU 359 CO -0.00 -0.97 0.10 -0.44 1.01 0.00 0.00 176.35 176.06 3i1f s SER 360 N -4.18 5.13 0.86 2.29 0.01 -1.07 -4.23 113.70 112.51 3i1f s SER 360 Ca 0.33 -1.56 -0.08 0.00 1.31 0.00 0.00 55.95 55.95 3i1f s SER 360 Cb -0.01 -1.79 0.15 0.00 0.21 0.00 0.00 66.02 64.58 3i1f s SER 360 CO 0.20 -0.39 0.92 0.52 0.41 0.00 0.00 173.24 174.90 3i1f n VAL 361 N 4.65 0.00 -0.27 3.43 0.31 -1.05 -3.83 118.33 121.57 3i1f n VAL 361 Ca -0.09 -0.93 -0.05 0.00 -0.01 0.00 0.00 64.34 63.26 3i1f n VAL 361 Cb 0.43 -1.38 0.06 0.00 -0.91 0.00 0.00 33.84 32.04 3i1f n VAL 361 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i1f h GLY 362 N -0.99 1.07 0.00 2.92 0.00 -1.90 -3.37 103.07 100.79 3i1f h GLY 362 Ca -0.30 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3i1f h GLY 362 CO 0.25 0.44 -0.75 -1.26 0.00 0.00 0.00 176.54 175.23 3i1f n SER 363 N -4.50 3.74 -4.78 0.19 2.88 -1.26 -4.72 113.62 105.16 3i1f n SER 363 Ca 0.07 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.25 3i1f n SER 363 Cb 0.07 0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 3i1f n SER 363 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3i1f s SER 364 N -2.34 6.22 -0.51 -3.46 0.01 -1.05 -4.47 113.70 108.10 3i1f s SER 364 Ca 0.00 2.11 0.07 0.00 1.31 0.00 0.00 55.95 59.44 3i1f s SER 364 Cb 0.00 -2.58 0.28 0.00 0.21 0.00 0.00 66.02 63.93 3i1f s SER 364 CO 0.00 -0.87 0.71 0.35 0.41 0.00 0.00 173.24 173.83 3i1f n THR 365 N -0.76 1.13 -2.29 1.44 -2.24 -1.26 -2.54 114.28 107.75 3i1f n THR 365 Ca 0.09 -4.80 -0.30 0.00 -2.27 0.00 0.00 64.05 56.77 3i1f n THR 365 Cb 0.50 -1.66 -0.00 0.00 -2.10 0.00 0.00 70.33 67.07 3i1f n THR 365 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i1f s THR 366 N -2.40 4.77 0.23 4.28 2.01 -1.26 -4.95 115.64 118.32 3i1f s THR 366 Ca 0.40 0.65 0.05 0.00 0.31 0.00 0.00 61.69 63.09 3i1f s THR 366 Cb 0.21 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3i1f s THR 366 CO -0.07 -0.93 -0.04 -1.48 -0.69 0.00 0.00 174.62 171.40 3i1f s LEU 367 N -4.78 2.34 0.00 4.42 2.34 -1.26 -2.66 118.68 119.08 3i1f s LEU 367 Ca 0.52 -1.16 -0.18 0.00 0.06 0.00 0.00 54.13 53.37 3i1f s LEU 367 Cb -0.11 -0.40 0.06 0.00 -0.56 0.00 0.00 46.19 45.19 3i1f s LEU 367 CO 0.46 -0.42 0.87 0.61 -1.06 0.00 0.00 176.35 176.82 3i1f n GLY 368 N -0.42 0.71 3.75 -3.48 0.00 0.24 -0.79 105.19 105.19 3i1f n GLY 368 Ca -0.06 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3i1f n GLY 368 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1f s ILE 369 N -2.14 5.34 0.45 -0.61 1.01 -0.45 -1.73 121.20 123.06 3i1f s ILE 369 Ca 0.19 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.77 3i1f s ILE 369 Cb -0.02 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 3i1f s ILE 369 CO 0.05 0.48 1.21 -0.69 0.00 0.00 0.00 174.94 175.98 3i1f s VAL 370 N 0.08 2.93 0.13 2.92 1.01 0.58 -1.30 120.40 126.75 3i1f s VAL 370 Ca 0.09 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3i1f s VAL 370 Cb -0.11 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3i1f s VAL 370 CO -0.01 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.47 3i1f n THR 371 N -0.33 0.93 -4.22 3.92 -2.24 0.24 -2.06 114.28 110.52 3i1f n THR 371 Ca 0.06 0.31 -0.25 0.00 -2.27 0.00 0.00 64.05 61.90 3i1f n THR 371 Cb 0.47 -1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 67.29 3i1f n THR 371 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i1f s SER 372 N -5.74 4.77 -0.30 3.42 0.01 -1.05 -4.73 113.70 110.09 3i1f s SER 372 Ca 0.00 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 56.87 3i1f s SER 372 Cb 0.00 -1.00 0.19 0.00 0.21 0.00 0.00 66.02 65.42 3i1f s SER 372 CO 0.00 0.06 0.57 0.54 0.41 0.00 0.00 173.24 174.82 3i1f s VAL 373 N -1.90 -0.95 -0.15 3.43 0.11 -1.26 -1.73 120.40 117.94 3i1f s VAL 373 Ca 0.29 -0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.29 3i1f s VAL 373 Cb -0.08 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3i1f s VAL 373 CO 0.19 -0.04 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.31 3i1f s LYS 374 N 2.73 1.65 6.47 1.54 1.02 -0.15 -5.01 119.74 127.99 3i1f s LYS 374 Ca 0.10 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.59 3i1f s LYS 374 Cb -0.10 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3i1f s LYS 374 CO -0.25 -0.36 0.00 1.17 -0.92 0.00 0.00 175.35 174.98 3i1f n LYS 375 N 4.85 0.00 -0.06 1.68 0.00 -1.26 -0.71 118.16 122.66 3i1f n LYS 375 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.27 3i1f n LYS 375 Cb 0.48 0.00 0.38 0.00 0.00 0.00 0.00 35.03 35.90 3i1f n LYS 375 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i1f n ASP 376 N 5.36 1.18 -4.54 3.14 9.92 -1.26 -4.89 116.55 125.45 3i1f n ASP 376 Ca 0.00 -1.67 -0.33 0.00 -0.53 0.00 0.00 54.79 52.25 3i1f n ASP 376 Cb 0.00 -0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.28 3i1f n ASP 376 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3i1f s GLU 377 N -1.83 2.70 0.09 -1.24 2.02 0.11 0.11 118.70 120.67 3i1f s GLU 377 Ca 0.29 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.69 3i1f s GLU 377 Cb 0.15 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 3i1f s GLU 377 CO 0.23 0.63 -0.05 0.96 0.02 0.00 0.00 175.26 177.05 3i1f s ILE 378 N -0.74 0.56 -0.02 -1.63 -4.36 -0.51 -0.98 121.20 113.52 3i1f s ILE 378 Ca 0.11 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 3i1f s ILE 378 Cb -0.11 -1.67 0.01 0.00 1.25 0.00 0.00 42.46 41.94 3i1f s ILE 378 CO 0.01 -0.88 -0.06 -1.61 0.24 0.00 0.00 174.94 172.65 3i1f s GLU 379 N -3.86 0.66 0.01 0.37 2.02 -0.71 -2.12 118.70 115.07 3i1f s GLU 379 Ca 0.11 -0.18 -0.00 0.00 0.02 0.00 0.00 54.97 54.92 3i1f s GLU 379 Cb 0.06 -0.66 -0.01 0.00 0.10 0.00 0.00 34.13 33.62 3i1f s GLU 379 CO -0.06 0.05 -0.01 0.14 0.02 0.00 0.00 175.26 175.40 3i1f s VAL 380 N 0.31 0.07 -0.33 2.63 -7.23 -1.07 0.79 120.40 115.56 3i1f s VAL 380 Ca -0.04 -0.57 -0.16 0.00 -1.81 0.00 0.00 61.98 59.40 3i1f s VAL 380 Cb -0.08 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.67 3i1f s VAL 380 CO -0.00 -0.31 0.43 -1.61 -0.31 0.00 0.00 175.10 173.29 3i1f s GLU 381 N -0.92 3.68 0.48 4.82 0.41 -0.42 -2.51 118.70 124.24 3i1f s GLU 381 Ca -0.10 -0.22 -0.08 0.00 -0.41 0.00 0.00 54.97 54.17 3i1f s GLU 381 Cb -0.06 -3.77 -0.05 0.00 -1.78 0.00 0.00 34.13 28.47 3i1f s GLU 381 CO -0.01 -0.52 0.81 -0.51 -0.49 0.00 0.00 175.26 174.55 3i1f s LEU 382 N 2.18 3.64 0.37 1.80 1.43 0.33 -1.34 118.68 127.08 3i1f s LEU 382 Ca 0.15 1.06 0.21 0.00 -1.03 0.00 0.00 54.13 54.53 3i1f s LEU 382 Cb -0.16 -4.01 0.23 0.00 0.03 0.00 0.00 46.19 42.28 3i1f s LEU 382 CO 0.12 -0.56 1.47 0.03 0.23 0.00 0.00 176.35 177.64 3i1f h ARG 383 N 0.48 0.00 -4.42 1.70 -0.00 -1.27 -3.45 114.38 107.41 3i1f h ARG 383 Ca -0.47 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 58.83 3i1f h ARG 383 Cb 1.20 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 31.01 3i1f h ARG 383 CO 0.62 0.09 -0.69 1.03 0.00 0.00 0.00 179.97 181.02 3i1f s ARG 384 N -3.19 0.68 0.58 0.04 3.00 -1.26 -5.06 118.95 113.74 3i1f s ARG 384 Ca 0.05 -1.19 -0.18 0.00 0.00 0.00 0.00 55.73 54.41 3i1f s ARG 384 Cb 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 34.95 34.96 3i1f s ARG 384 CO 0.71 -0.05 1.13 -2.14 0.00 0.00 0.00 175.30 174.94 3i1f s PRO 385 N -3.53 3.15 -0.05 3.54 0.02 -1.26 -4.70 135.00 132.18 3i1f s PRO 385 Ca 0.06 1.57 0.02 0.00 0.02 0.00 0.00 61.00 62.67 3i1f s PRO 385 Cb 0.04 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 3i1f s PRO 385 CO -0.06 -1.00 -0.09 0.54 -0.33 0.00 0.00 177.00 176.06 3i1f s VAL 386 N -1.92 3.54 -0.15 3.83 0.11 0.15 -4.74 120.40 121.22 3i1f s VAL 386 Ca 0.72 -0.60 -0.25 0.00 -2.93 0.00 0.00 61.98 58.91 3i1f s VAL 386 Cb -0.24 -2.45 -0.02 0.00 -1.53 0.00 0.00 36.38 32.14 3i1f s VAL 386 CO 0.32 0.55 0.81 0.00 -3.33 0.00 0.00 175.10 173.44 3i1f s ALA 387 N -0.83 3.48 -0.46 1.54 0.00 -1.26 -0.99 121.76 123.24 3i1f s ALA 387 Ca 0.13 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.16 3i1f s ALA 387 Cb -0.11 -3.18 0.12 0.00 0.00 0.00 0.00 23.12 19.95 3i1f s ALA 387 CO 0.02 -0.56 0.20 0.08 0.00 0.00 0.00 175.76 175.51 3i1f s VAL 388 N 1.92 2.68 -0.02 0.00 1.01 -1.23 -4.91 120.40 119.84 3i1f s VAL 388 Ca 0.38 -2.82 -0.21 0.00 0.00 0.00 0.00 61.98 59.34 3i1f s VAL 388 Cb -0.17 -2.88 -0.29 0.00 0.00 0.00 0.00 36.38 33.04 3i1f s VAL 388 CO 0.14 -0.73 0.97 4.11 0.00 0.00 0.00 175.10 179.59 3i1f h TRP 389 N 7.10 0.62 -1.74 5.22 0.09 -1.92 -3.35 115.95 121.97 3i1f h TRP 389 Ca -0.06 -0.41 -0.51 0.00 0.09 0.00 0.00 58.89 57.99 3i1f h TRP 389 Cb 0.96 -0.04 -0.05 0.00 0.08 0.00 0.00 29.16 30.11 3i1f h TRP 389 CO 0.52 1.29 -0.46 0.45 0.09 0.00 0.00 178.44 180.34 3i1f s SER 390 N -6.97 4.97 0.00 0.11 0.15 -1.26 -4.94 113.70 105.75 3i1f s SER 390 Ca -0.13 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.82 3i1f s SER 390 Cb 0.02 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 3i1f s SER 390 CO 0.84 -0.44 0.92 -3.20 1.20 0.00 0.00 173.24 172.56 3i1f n ASN 391 N -1.35 0.00 -4.63 5.45 2.85 -1.26 -4.45 115.26 111.87 3i1f n ASN 391 Ca -0.01 0.92 -0.43 0.00 -0.11 0.00 0.00 54.58 54.96 3i1f n ASN 391 Cb 0.61 -0.42 -0.03 0.00 1.24 0.00 0.00 39.78 41.18 3i1f n ASN 391 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3i1f s ASN 392 N -2.27 6.83 -0.32 1.20 0.02 -1.26 -4.36 114.94 114.78 3i1f s ASN 392 Ca 0.00 0.91 0.01 0.00 -1.02 0.00 0.00 52.86 52.76 3i1f s ASN 392 Cb 0.00 -2.48 0.08 0.00 0.02 0.00 0.00 41.25 38.87 3i1f s ASN 392 CO 0.00 -0.75 0.02 -0.63 0.02 0.00 0.00 177.10 175.76 3i1f s ILE 393 N 3.32 2.56 -0.10 0.60 -1.09 -1.26 -4.93 121.20 120.30 3i1f s ILE 393 Ca 0.40 -1.91 -0.29 0.00 -2.23 0.00 0.00 60.65 56.61 3i1f s ILE 393 Cb -0.13 -2.68 -0.06 0.00 -1.58 0.00 0.00 42.46 38.01 3i1f s ILE 393 CO 0.13 -0.36 1.96 -0.60 -1.23 0.00 0.00 174.94 174.84 3i1f s ARG 394 N 1.07 3.76 0.08 2.79 3.52 -1.26 -1.21 118.95 127.69 3i1f s ARG 394 Ca 0.02 2.22 0.07 0.00 -0.13 0.00 0.00 55.73 57.90 3i1f s ARG 394 Cb -0.20 -4.19 -0.04 0.00 -1.56 0.00 0.00 34.95 28.96 3i1f s ARG 394 CO -0.05 -1.38 -0.13 -0.08 -0.81 0.00 0.00 175.30 172.85 3i1f s THR 395 N 5.80 3.17 -0.41 4.11 -1.32 0.15 -4.78 115.64 122.36 3i1f s THR 395 Ca 0.88 -1.22 -0.13 0.00 -1.21 0.00 0.00 61.69 60.01 3i1f s THR 395 Cb -0.36 -2.43 0.04 0.00 -1.51 0.00 0.00 72.50 68.25 3i1f s THR 395 CO 0.36 0.20 0.28 -0.69 -2.21 0.00 0.00 174.62 172.57 3i1f s VAL 396 N -1.10 4.86 -0.05 5.08 1.01 -1.25 -0.71 120.40 128.24 3i1f s VAL 396 Ca 0.18 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3i1f s VAL 396 Cb -0.11 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3i1f s VAL 396 CO 0.10 -0.37 1.52 -0.63 0.00 0.00 0.00 175.10 175.72 3i1f s ILE 397 N 1.59 3.71 -0.13 2.22 -1.09 -0.50 -2.61 121.20 124.39 3i1f s ILE 397 Ca 0.03 0.95 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 3i1f s ILE 397 Cb -0.21 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 3i1f s ILE 397 CO 0.07 -0.06 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.08 3i1f s SER 398 N 2.67 3.33 0.18 3.58 0.01 0.48 -0.45 113.70 123.51 3i1f s SER 398 Ca 0.67 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 57.48 3i1f s SER 398 Cb -0.31 -1.48 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 3i1f s SER 398 CO 0.26 0.11 0.01 -0.60 0.41 0.00 0.00 173.24 173.44 3i1f s ARG 399 N 0.64 2.45 -1.08 12.44 3.52 -0.47 -2.20 118.95 134.24 3i1f s ARG 399 Ca -0.10 -1.11 -0.03 0.00 -0.13 0.00 0.00 55.73 54.36 3i1f s ARG 399 Cb -0.16 -2.37 0.30 0.00 -1.56 0.00 0.00 34.95 31.16 3i1f s ARG 399 CO 0.02 0.45 1.70 1.04 -0.81 0.00 0.00 175.30 177.70 3i1f n GLN 400 N -0.22 4.91 -2.47 5.12 6.02 -1.26 0.63 117.38 130.11 3i1f n GLN 400 Ca -0.09 -4.52 -0.41 0.00 -0.01 0.00 0.00 57.00 51.97 3i1f n GLN 400 Cb 0.55 -2.51 -0.04 0.00 1.02 0.00 0.00 30.24 29.26 3i1f n GLN 400 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3i1f s ILE 401 N -3.30 3.70 0.00 5.09 2.07 -1.21 -4.71 121.20 122.84 3i1f s ILE 401 Ca 0.36 1.50 0.00 0.00 -1.41 0.00 0.00 60.65 61.10 3i1f s ILE 401 Cb 0.12 -3.96 0.00 0.00 0.13 0.00 0.00 42.46 38.75 3i1f s ILE 401 CO -0.01 0.27 0.00 0.00 -1.91 0.00 0.00 174.94 173.29 3i1f n ALA 402 N 2.16 0.00 -2.66 1.50 0.00 -1.26 -4.46 120.51 115.79 3i1f n ALA 402 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 3i1f n ALA 402 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 3i1f n ALA 402 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1f s GLY 403 N 0.00 1.70 0.00 0.00 0.00 -1.26 -4.91 107.32 102.84 3i1f s GLY 403 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3i1f s GLY 403 CO 0.00 2.18 0.00 0.54 0.00 0.00 0.00 173.10 175.82 3i1f n ARG 404 N 6.32 0.00 -0.37 2.90 5.12 -1.26 -4.83 116.66 124.54 3i1f n ARG 404 Ca 0.12 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.91 3i1f n ARG 404 Cb 0.46 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.87 3i1f n ARG 404 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3i1f n TRP 405 N -0.19 -3.25 0.00 -1.55 8.01 -1.26 -3.28 117.44 115.93 3i1f n TRP 405 Ca 0.00 -0.41 0.00 0.00 -1.31 0.00 0.00 57.50 55.78 3i1f n TRP 405 Cb 0.00 -0.51 0.00 0.00 -2.01 0.00 0.00 31.31 28.79 3i1f n TRP 405 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 3i1f n ARG 406 N -3.11 0.00 -1.72 -0.99 3.00 0.20 -4.57 116.66 109.47 3i1f n ARG 406 Ca 0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.49 3i1f n ARG 406 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.69 3i1f n ARG 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1f n MET 407 N 0.00 2.66 -0.00 -0.14 0.00 -1.26 -1.37 117.12 117.01 3i1f n MET 407 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 57.70 58.69 3i1f n MET 407 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 33.22 30.41 3i1f n MET 407 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 3i1f n ILE 408 N 3.41 0.00 -3.06 3.17 -0.00 0.40 -4.83 119.36 118.45 3i1f n ILE 408 Ca 0.14 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 3i1f n ILE 408 Cb 0.34 0.81 0.00 0.00 -0.00 0.00 0.00 39.64 40.80 3i1f n ILE 408 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i1f n GLY 409 N 1.43 -0.89 0.00 7.39 0.00 -0.92 -0.77 105.19 111.43 3i1f n GLY 409 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3i1f n GLY 409 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3i1f n TRP 410 N 0.57 0.00 0.00 1.61 4.27 -0.08 -1.41 117.44 122.40 3i1f n TRP 410 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 3i1f n TRP 410 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 3i1f n TRP 410 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3i1f n GLY 411 N 1.35 -0.90 3.01 -1.67 0.00 0.11 -0.93 105.19 106.17 3i1f n GLY 411 Ca 0.00 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 3i1f n GLY 411 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1f s LEU 412 N 0.00 1.57 -1.07 0.99 1.43 0.31 -0.67 118.68 121.25 3i1f s LEU 412 Ca 0.00 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 3i1f s LEU 412 Cb 0.00 -0.93 -0.07 0.00 0.03 0.00 0.00 46.19 45.22 3i1f s LEU 412 CO 0.00 -0.01 1.94 -0.69 0.23 0.00 0.00 176.35 177.82 3i1f s VAL 413 N 1.02 3.50 -0.07 -1.59 1.01 -0.35 -0.47 120.40 123.45 3i1f s VAL 413 Ca -0.07 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3i1f s VAL 413 Cb -0.15 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 3i1f s VAL 413 CO -0.01 -0.96 1.36 -1.83 0.00 0.00 0.00 175.10 173.66 3i1f s GLU 414 N 6.71 4.26 0.00 2.72 -1.05 0.59 -4.06 118.70 127.87 3i1f s GLU 414 Ca 0.69 1.85 0.26 0.00 -0.15 0.00 0.00 54.97 57.62 3i1f s GLU 414 Cb -0.03 -3.71 0.55 0.00 -0.44 0.00 0.00 34.13 30.50 3i1f s GLU 414 CO 0.08 -0.65 1.46 0.44 0.95 0.00 0.00 175.26 177.54