#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic8 s GLU 3 N 0.00 3.52 0.04 -1.46 2.02 -1.26 -4.93 118.70 116.63 3ic8 s GLU 3 Ca 0.00 1.36 -0.30 0.00 0.02 0.00 0.00 54.97 56.05 3ic8 s GLU 3 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 3ic8 s GLU 3 CO 0.00 -0.67 1.07 -0.51 0.02 0.00 0.00 175.26 175.17 3ic8 s LEU 4 N -3.92 4.39 -0.13 1.80 1.02 -1.26 -4.45 118.68 116.13 3ic8 s LEU 4 Ca 0.67 1.83 0.02 0.00 0.02 0.00 0.00 54.13 56.67 3ic8 s LEU 4 Cb -0.18 -3.58 0.01 0.00 0.02 0.00 0.00 46.19 42.47 3ic8 s LEU 4 CO 0.27 -0.32 -0.20 -0.63 0.02 0.00 0.00 176.35 175.50 3ic8 s ILE 5 N 0.89 1.85 -0.19 -0.59 1.01 1.00 -0.93 121.20 124.23 3ic8 s ILE 5 Ca 0.54 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 3ic8 s ILE 5 Cb -0.25 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3ic8 s ILE 5 CO 0.29 0.51 0.00 -0.22 0.00 0.00 0.00 174.94 175.52 3ic8 s LEU 6 N 0.86 3.31 -0.34 2.97 2.96 -0.34 -0.16 118.68 127.93 3ic8 s LEU 6 Ca -0.07 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.54 3ic8 s LEU 6 Cb -0.15 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3ic8 s LEU 6 CO -0.01 0.09 0.23 -1.00 -1.32 0.00 0.00 176.35 174.34 3ic8 s HIS 7 N 0.87 3.22 0.28 5.38 3.76 -0.48 -0.67 115.29 127.67 3ic8 s HIS 7 Ca 0.01 -0.27 -0.17 0.00 -0.15 0.00 0.00 55.06 54.48 3ic8 s HIS 7 Cb -0.14 -2.47 0.01 0.00 1.11 0.00 0.00 32.58 31.09 3ic8 s HIS 7 CO 0.02 -0.38 0.63 -3.38 -0.85 0.00 0.00 174.74 170.78 3ic8 s HIS 8 N 1.71 0.10 -0.29 1.40 -0.00 -0.77 -1.92 115.29 115.51 3ic8 s HIS 8 Ca 0.06 -0.54 -0.08 0.00 -0.00 0.00 0.00 55.06 54.50 3ic8 s HIS 8 Cb -0.17 0.51 -0.00 0.00 -0.00 0.00 0.00 32.58 32.91 3ic8 s HIS 8 CO 0.10 -1.19 0.10 -0.47 -0.00 0.00 0.00 174.74 173.28 3ic8 s TYR 9 N -3.72 3.15 0.38 0.38 5.04 -1.26 -2.15 117.35 119.17 3ic8 s TYR 9 Ca 0.16 -0.77 0.07 0.00 -2.44 0.00 0.00 57.07 54.09 3ic8 s TYR 9 Cb -0.04 -2.28 0.76 0.00 0.35 0.00 0.00 41.96 40.75 3ic8 s TYR 9 CO 0.09 -0.51 1.95 -1.35 -1.34 0.00 0.00 175.55 174.39 3ic8 h PRO 10 N 8.27 0.41 -0.14 4.97 0.11 -1.92 -2.21 132.00 141.49 3ic8 h PRO 10 Ca -0.33 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ic8 h PRO 10 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ic8 h PRO 10 CO 0.60 0.42 0.00 0.25 -0.21 0.00 0.00 178.00 179.06 3ic8 n THR 11 N -4.34 0.17 -2.66 -1.15 -2.24 -1.26 -4.91 114.28 97.89 3ic8 n THR 11 Ca 0.01 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 3ic8 n THR 11 Cb 0.20 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 3ic8 n THR 11 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ic8 s SER 12 N -1.75 7.26 0.45 3.42 0.15 -0.83 -4.90 113.70 117.51 3ic8 s SER 12 Ca 0.34 1.63 0.14 0.00 0.70 0.00 0.00 55.95 58.76 3ic8 s SER 12 Cb 0.20 -2.56 1.02 0.00 -1.71 0.00 0.00 66.02 62.97 3ic8 s SER 12 CO 0.30 -0.40 2.02 -0.07 1.20 0.00 0.00 173.24 176.29 3ic8 h LEU 13 N 7.54 0.06 -1.62 3.45 3.38 -1.91 -2.50 115.31 123.72 3ic8 h LEU 13 Ca -0.35 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 3ic8 h LEU 13 Cb 1.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3ic8 h LEU 13 CO 0.82 0.18 -0.17 -0.26 0.09 0.00 0.00 178.44 179.10 3ic8 h PHE 14 N 0.07 0.00 -0.35 1.13 0.04 -1.94 -2.96 116.94 112.92 3ic8 h PHE 14 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3ic8 h PHE 14 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3ic8 h PHE 14 CO 0.00 0.17 0.00 0.00 -0.60 0.00 0.00 178.31 177.88 3ic8 n ALA 15 N -2.27 2.44 -0.14 2.45 0.00 -0.94 -4.47 120.51 117.58 3ic8 n ALA 15 Ca -0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 53.44 52.50 3ic8 n ALA 15 Cb 0.31 -0.93 0.13 0.00 0.00 0.00 0.00 19.45 18.96 3ic8 n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ic8 h GLU 16 N 3.86 0.87 -0.62 0.00 4.57 -1.57 -3.21 114.58 118.48 3ic8 h GLU 16 Ca 0.00 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3ic8 h GLU 16 Cb 0.85 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 3ic8 h GLU 16 CO 0.00 0.85 0.39 -0.22 -1.18 0.00 0.00 179.01 178.85 3ic8 h LYS 17 N 0.81 0.84 -0.59 1.92 3.64 -1.82 -2.08 116.57 119.29 3ic8 h LYS 17 Ca 0.16 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3ic8 h LYS 17 Cb 0.44 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3ic8 h LYS 17 CO 0.02 0.59 0.21 0.00 -2.27 0.00 0.00 179.45 177.99 3ic8 h ALA 18 N 1.20 1.25 -0.65 5.00 0.00 -1.88 -2.61 119.26 121.58 3ic8 h ALA 18 Ca 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ic8 h ALA 18 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3ic8 h ALA 18 CO -0.04 0.54 0.23 0.00 0.00 0.00 0.00 179.25 179.98 3ic8 h ARG 19 N 0.86 0.98 -1.81 0.00 3.08 -1.49 -2.19 114.38 113.82 3ic8 h ARG 19 Ca 0.20 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ic8 h ARG 19 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3ic8 h ARG 19 CO -0.01 0.84 0.00 1.28 -1.07 0.00 0.00 179.97 181.01 3ic8 n LEU 20 N -4.39 0.84 0.00 3.04 4.77 -0.82 -1.82 117.00 118.62 3ic8 n LEU 20 Ca 0.04 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3ic8 n LEU 20 Cb 0.19 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3ic8 n LEU 20 CO 0.40 0.15 0.00 0.18 -1.33 0.00 0.00 177.39 176.78 3ic8 n LEU 22 N 1.10 0.00 -0.20 2.23 4.77 -0.82 -1.24 117.00 122.84 3ic8 n LEU 22 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3ic8 n LEU 22 Cb 0.12 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3ic8 n LEU 22 CO 0.00 0.00 0.90 1.23 -1.33 0.00 0.00 177.39 178.19 3ic8 h GLY 23 N 0.00 0.97 1.03 -0.72 0.00 -1.41 -2.77 103.07 100.18 3ic8 h GLY 23 Ca 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 3ic8 h GLY 23 CO 0.00 0.57 0.28 -2.75 0.00 0.00 0.00 176.54 174.64 3ic8 h PHE 24 N 0.80 1.12 0.00 5.60 3.57 -1.37 -2.45 116.94 124.21 3ic8 h PHE 24 Ca 0.18 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3ic8 h PHE 24 Cb 0.36 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3ic8 h PHE 24 CO 0.02 0.87 0.00 0.87 -2.23 0.00 0.00 178.31 177.84 3ic8 h LYS 25 N 1.05 0.00 -5.85 1.11 1.79 -1.81 -3.43 116.57 109.43 3ic8 h LYS 25 Ca 0.24 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.32 3ic8 h LYS 25 Cb 0.23 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.02 3ic8 h LYS 25 CO -0.02 0.00 -0.70 0.41 -1.08 0.00 0.00 179.45 178.07 3ic8 n GLY 26 N -0.00 -0.52 3.74 3.86 0.00 -0.92 -4.84 105.19 106.50 3ic8 n GLY 26 Ca 0.01 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 3ic8 n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ic8 s VAL 27 N -3.33 4.00 -0.15 1.61 -7.23 -1.23 -4.97 120.40 109.10 3ic8 s VAL 27 Ca 0.52 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.04 3ic8 s VAL 27 Cb -0.23 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 3ic8 s VAL 27 CO 0.74 -0.31 0.12 0.20 -0.31 0.00 0.00 175.10 175.53 3ic8 s ASN 28 N -3.62 6.14 0.06 4.85 0.01 -1.26 -3.47 114.94 117.64 3ic8 s ASN 28 Ca 0.32 0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 52.77 3ic8 s ASN 28 Cb -0.08 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 3ic8 s ASN 28 CO 0.22 0.30 -0.02 -1.66 -1.51 0.00 0.00 177.10 174.43 3ic8 s TRP 29 N -0.36 0.55 -0.09 2.20 1.48 -0.44 -4.41 118.94 117.87 3ic8 s TRP 29 Ca 0.11 -1.08 -0.09 0.00 -1.06 0.00 0.00 56.10 53.98 3ic8 s TRP 29 Cb -0.12 -0.40 -0.04 0.00 -1.16 0.00 0.00 33.47 31.75 3ic8 s TRP 29 CO 0.01 -0.39 0.21 1.03 -4.06 0.00 0.00 176.95 173.76 3ic8 s ARG 30 N -3.93 3.60 -0.24 3.25 1.81 -0.11 -2.36 118.95 120.97 3ic8 s ARG 30 Ca 0.08 0.02 -0.07 0.00 -1.72 0.00 0.00 55.73 54.04 3ic8 s ARG 30 Cb 0.08 -3.21 -0.03 0.00 -0.45 0.00 0.00 34.95 31.34 3ic8 s ARG 30 CO -0.09 0.73 0.06 0.45 -0.68 0.00 0.00 175.30 175.77 3ic8 s SER 31 N -0.98 5.05 -0.22 0.23 0.15 -0.24 -1.20 113.70 116.49 3ic8 s SER 31 Ca 0.17 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.55 3ic8 s SER 31 Cb -0.13 -1.90 -0.02 0.00 -1.71 0.00 0.00 66.02 62.25 3ic8 s SER 31 CO 0.06 -0.03 0.02 -0.69 1.20 0.00 0.00 173.24 173.80 3ic8 s VAL 32 N 1.57 3.97 -0.38 4.45 1.01 0.16 -0.80 120.40 130.37 3ic8 s VAL 32 Ca 0.06 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 3ic8 s VAL 32 Cb -0.15 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.42 3ic8 s VAL 32 CO 0.03 0.40 0.66 -0.89 0.00 0.00 0.00 175.10 175.30 3ic8 s THR 33 N 1.29 4.84 0.72 3.92 2.01 -1.26 -1.85 115.64 125.31 3ic8 s THR 33 Ca 0.04 0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 3ic8 s THR 33 Cb -0.15 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.27 3ic8 s THR 33 CO 0.01 -0.43 1.08 0.27 -0.69 0.00 0.00 174.62 174.86 3ic8 s ILE 34 N 2.82 2.81 0.23 1.82 -4.36 -0.91 -4.88 121.20 118.74 3ic8 s ILE 34 Ca 0.25 0.12 -0.23 0.00 -0.26 0.00 0.00 60.65 60.52 3ic8 s ILE 34 Cb -0.14 -3.23 -0.09 0.00 1.25 0.00 0.00 42.46 40.25 3ic8 s ILE 34 CO 0.17 -0.29 0.80 -2.16 0.24 0.00 0.00 174.94 173.70 3ic8 s PRO 35 N -5.35 4.45 0.20 0.37 0.04 -1.26 -4.78 135.00 128.66 3ic8 s PRO 35 Ca 0.59 1.09 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 3ic8 s PRO 35 Cb -0.11 -2.98 0.15 0.00 0.04 0.00 0.00 34.50 31.60 3ic8 s PRO 35 CO 0.49 0.42 1.61 0.66 0.04 0.00 0.00 177.00 180.22 3ic8 h SER 36 N 3.64 0.82 0.00 6.66 4.64 -1.99 -3.49 113.55 123.83 3ic8 h SER 36 Ca -0.47 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 3ic8 h SER 36 Cb 1.20 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3ic8 h SER 36 CO 0.65 1.02 0.00 -0.38 -0.87 0.00 0.00 176.83 177.26 3ic8 n ILE 37 N -4.10 0.00 -0.42 0.95 -0.00 -1.26 -5.08 119.36 109.45 3ic8 n ILE 37 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.71 3ic8 n ILE 37 Cb 0.45 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 40.12 3ic8 n ILE 37 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 3ic8 n PRO 39 N 0.00 -1.55 -3.73 0.38 -0.04 -1.26 -5.00 135.00 123.80 3ic8 n PRO 39 Ca 0.00 -0.20 -0.28 0.00 -0.04 0.00 0.00 63.50 62.99 3ic8 n PRO 39 Cb 0.00 -0.20 -0.11 0.00 -0.04 0.00 0.00 33.50 33.15 3ic8 n PRO 39 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ic8 s LYS 40 N -3.28 1.96 0.16 0.54 1.02 -1.26 -4.97 119.74 113.92 3ic8 s LYS 40 Ca 0.08 -2.96 -0.13 0.00 0.02 0.00 0.00 55.97 52.99 3ic8 s LYS 40 Cb -0.01 -2.77 0.06 0.00 -0.52 0.00 0.00 37.83 34.59 3ic8 s LYS 40 CO 0.06 -1.32 1.72 -1.00 -0.92 0.00 0.00 175.35 173.89 3ic8 h PRO 41 N 5.46 0.83 -0.43 -1.68 0.13 -1.97 -0.45 132.00 133.89 3ic8 h PRO 41 Ca 0.19 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 3ic8 h PRO 41 Cb 0.80 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 3ic8 h PRO 41 CO 0.61 0.72 0.09 -0.44 -0.23 0.00 0.00 178.00 178.75 3ic8 h ASP 42 N 0.76 0.60 0.02 1.44 5.19 -1.95 -0.53 116.42 121.95 3ic8 h ASP 42 Ca 0.19 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3ic8 h ASP 42 Cb 0.20 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.56 3ic8 h ASP 42 CO -0.01 0.61 -0.01 0.25 -3.12 0.00 0.00 179.24 176.96 3ic8 h LEU 43 N 0.63 -0.02 -1.01 1.55 7.12 -1.76 -3.19 115.31 118.64 3ic8 h LEU 43 Ca 0.14 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.81 3ic8 h LEU 43 Cb 0.26 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 3ic8 h LEU 43 CO -0.00 0.33 0.00 0.71 -0.13 0.00 0.00 178.44 179.35 3ic8 h THR 44 N -0.37 0.00 -0.64 1.05 1.35 -1.02 -1.35 112.91 111.93 3ic8 h THR 44 Ca -0.00 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.55 3ic8 h THR 44 Cb 0.36 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 3ic8 h THR 44 CO 0.00 0.00 0.31 0.00 -0.25 0.00 0.00 175.52 175.58 3ic8 h ALA 45 N 2.17 1.34 0.00 6.62 0.00 -1.07 -0.65 119.26 127.67 3ic8 h ALA 45 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3ic8 h ALA 45 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ic8 h ALA 45 CO 0.00 0.51 -0.64 -0.07 0.00 0.00 0.00 179.25 179.06 3ic8 h LEU 46 N 0.90 0.00 -1.33 0.00 3.38 -1.39 -3.41 115.31 113.46 3ic8 h LEU 46 Ca 0.22 -0.66 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3ic8 h LEU 46 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ic8 h LEU 46 CO -0.03 1.20 -0.33 0.71 0.09 0.00 0.00 178.44 180.08 3ic8 h THR 47 N -1.00 1.24 0.00 0.22 1.35 -1.31 -3.47 112.91 109.94 3ic8 h THR 47 Ca -0.17 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3ic8 h THR 47 Cb 1.07 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3ic8 h THR 47 CO -0.10 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 3ic8 n GLY 48 N -0.57 0.56 0.00 5.82 0.00 -0.25 -4.22 105.19 106.52 3ic8 n GLY 48 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3ic8 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic8 n GLY 49 N -2.77 0.47 3.71 -0.02 0.00 -1.24 -4.59 105.19 100.76 3ic8 n GLY 49 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ic8 n GLY 49 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ic8 s TYR 50 N -2.00 3.23 -0.07 1.61 5.04 -1.26 -4.76 117.35 119.13 3ic8 s TYR 50 Ca 0.00 0.94 0.11 0.00 -2.44 0.00 0.00 57.07 55.68 3ic8 s TYR 50 Cb 0.00 -3.69 0.16 0.00 0.35 0.00 0.00 41.96 38.79 3ic8 s TYR 50 CO 0.00 -2.40 1.06 0.54 -1.34 0.00 0.00 175.55 173.41 3ic8 n ARG 51 N 4.00 1.51 -3.28 4.97 1.74 -1.26 -4.75 116.66 119.59 3ic8 n ARG 51 Ca 0.12 -2.00 -0.38 0.00 -0.77 0.00 0.00 57.85 54.81 3ic8 n ARG 51 Cb 0.42 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 3ic8 n ARG 51 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ic8 s LYS 52 N -1.90 4.27 0.26 5.56 2.36 -1.26 -5.04 119.74 123.99 3ic8 s LYS 52 Ca 0.18 0.44 0.08 0.00 -2.55 0.00 0.00 55.97 54.12 3ic8 s LYS 52 Cb 0.16 -3.49 -0.05 0.00 -1.05 0.00 0.00 37.83 33.39 3ic8 s LYS 52 CO 0.02 0.01 -0.11 0.95 1.55 0.00 0.00 175.35 177.77 3ic8 s THR 53 N 1.10 1.87 0.59 3.43 -4.23 -1.26 -4.60 115.64 112.53 3ic8 s THR 53 Ca 0.25 -2.21 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 3ic8 s THR 53 Cb -0.15 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 3ic8 s THR 53 CO 0.10 -0.41 1.07 -2.84 -0.54 0.00 0.00 174.62 172.00 3ic8 s PRO 54 N -3.65 3.32 -0.00 3.99 0.02 -1.26 -4.90 135.00 132.51 3ic8 s PRO 54 Ca 0.28 1.27 0.05 0.00 0.02 0.00 0.00 61.00 62.61 3ic8 s PRO 54 Cb 0.01 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3ic8 s PRO 54 CO 0.11 -0.82 -0.15 0.08 -0.33 0.00 0.00 177.00 175.89 3ic8 s VAL 55 N -2.34 1.19 -0.23 3.83 1.01 -0.81 -4.45 120.40 118.60 3ic8 s VAL 55 Ca 0.65 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 3ic8 s VAL 55 Cb -0.17 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3ic8 s VAL 55 CO 0.35 0.29 0.06 -0.22 0.00 0.00 0.00 175.10 175.59 3ic8 s LEU 56 N -0.47 3.53 -0.15 3.92 0.20 -0.68 -1.38 118.68 123.66 3ic8 s LEU 56 Ca 0.05 -0.13 -0.01 0.00 0.69 0.00 0.00 54.13 54.74 3ic8 s LEU 56 Cb -0.06 -1.93 -0.01 0.00 -0.43 0.00 0.00 46.19 43.76 3ic8 s LEU 56 CO -0.00 0.03 -0.12 -1.58 -0.29 0.00 0.00 176.35 174.38 3ic8 s GLN 57 N 1.25 3.36 -0.27 1.98 0.74 0.77 -0.21 119.66 127.28 3ic8 s GLN 57 Ca 0.05 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.78 3ic8 s GLN 57 Cb -0.15 -2.69 0.08 0.00 1.10 0.00 0.00 33.01 31.36 3ic8 s GLN 57 CO 0.03 0.12 0.02 0.42 -0.55 0.00 0.00 175.29 175.34 3ic8 s ILE 58 N 0.58 1.40 0.00 -2.34 1.01 -0.60 -0.00 121.20 121.25 3ic8 s ILE 58 Ca -0.07 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.15 3ic8 s ILE 58 Cb -0.15 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.45 3ic8 s ILE 58 CO 0.03 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.21 3ic8 n GLY 59 N 4.67 4.15 1.69 6.18 0.00 -1.26 -1.46 105.19 119.16 3ic8 n GLY 59 Ca -0.06 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3ic8 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic8 n ALA 60 N 12.52 3.72 -3.18 4.61 0.00 -1.26 -3.92 120.51 133.00 3ic8 n ALA 60 Ca 0.00 -2.01 -0.34 0.00 0.00 0.00 0.00 53.44 51.09 3ic8 n ALA 60 Cb 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 3ic8 n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ic8 s ASP 61 N -1.03 4.40 -0.13 0.00 1.01 -0.54 -1.19 116.67 119.18 3ic8 s ASP 61 Ca 0.52 -0.28 0.01 0.00 0.71 0.00 0.00 52.55 53.51 3ic8 s ASP 61 Cb 0.40 -1.72 -0.01 0.00 1.01 0.00 0.00 42.92 42.61 3ic8 s ASP 61 CO 0.14 0.10 -0.16 -0.63 0.21 0.00 0.00 175.17 174.84 3ic8 s ILE 62 N 0.77 2.75 -0.17 0.77 1.09 -0.36 -1.55 121.20 124.49 3ic8 s ILE 62 Ca -0.03 -0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 58.76 3ic8 s ILE 62 Cb -0.15 -2.14 -0.00 0.00 -1.06 0.00 0.00 42.46 39.11 3ic8 s ILE 62 CO 0.02 0.53 -0.12 -0.31 -0.10 0.00 0.00 174.94 174.95 3ic8 s TYR 63 N 0.53 2.84 -0.12 3.97 2.02 0.70 -0.77 117.35 126.52 3ic8 s TYR 63 Ca -0.10 -1.03 -0.02 0.00 -0.37 0.00 0.00 57.07 55.55 3ic8 s TYR 63 Cb -0.16 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3ic8 s TYR 63 CO 0.04 -0.50 -0.04 0.00 -1.57 0.00 0.00 175.55 173.48 3ic8 n ASP 65 N 2.99 -0.73 0.22 0.00 2.03 -1.26 -4.59 116.55 115.21 3ic8 n ASP 65 Ca -0.18 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.19 3ic8 n ASP 65 Cb 0.53 0.01 0.51 0.00 -0.72 0.00 0.00 41.12 41.44 3ic8 n ASP 65 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3ic8 h THR 66 N 0.00 1.09 -0.74 5.18 1.35 -1.93 -2.54 112.91 115.32 3ic8 h THR 66 Ca 0.00 -0.68 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 3ic8 h THR 66 Cb 0.00 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 3ic8 h THR 66 CO 0.00 0.19 0.26 0.00 -0.25 0.00 0.00 175.52 175.72 3ic8 h ALA 67 N 1.81 0.97 0.00 6.62 0.00 -1.99 -2.50 119.26 124.16 3ic8 h ALA 67 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ic8 h ALA 67 Cb 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ic8 h ALA 67 CO 0.03 0.63 0.00 -0.11 0.00 0.00 0.00 179.25 179.79 3ic8 n LEU 68 N -4.29 1.27 0.00 0.00 7.94 -0.96 -3.67 117.00 117.29 3ic8 n LEU 68 Ca 0.06 -0.60 0.00 0.00 -1.11 0.00 0.00 56.01 54.36 3ic8 n LEU 68 Cb 0.21 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.92 3ic8 n LEU 68 CO 0.41 0.23 0.00 0.00 -1.11 0.00 0.00 177.39 176.92 3ic8 n ALA 70 N 1.22 0.00 -0.12 1.96 0.00 -0.94 -2.15 120.51 120.48 3ic8 n ALA 70 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ic8 n ALA 70 Cb 0.16 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.76 3ic8 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ic8 h ARG 71 N 0.00 0.82 -0.61 0.00 3.08 -1.86 -1.34 114.38 114.46 3ic8 h ARG 71 Ca 0.00 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 3ic8 h ARG 71 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3ic8 h ARG 71 CO 0.00 0.82 0.12 -0.09 -1.07 0.00 0.00 179.97 179.76 3ic8 h ARG 72 N 0.77 0.98 -0.68 0.04 9.65 -1.78 -2.47 114.38 120.88 3ic8 h ARG 72 Ca 0.15 -0.23 -0.05 0.00 -1.10 0.00 0.00 59.98 58.75 3ic8 h ARG 72 Cb 0.46 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 3ic8 h ARG 72 CO 0.02 0.89 0.23 -0.07 2.80 0.00 0.00 179.97 183.84 3ic8 h LEU 73 N 0.93 0.98 -1.11 3.80 3.38 -1.78 -1.86 115.31 119.65 3ic8 h LEU 73 Ca 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ic8 h LEU 73 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3ic8 h LEU 73 CO 0.00 0.91 0.34 -0.08 0.09 0.00 0.00 178.44 179.70 3ic8 h GLU 74 N 0.99 0.96 -0.36 1.13 4.57 -1.09 0.14 114.58 120.93 3ic8 h GLU 74 Ca 0.22 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3ic8 h GLU 74 Cb 0.27 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3ic8 h GLU 74 CO -0.01 0.74 0.05 0.37 -1.18 0.00 0.00 179.01 178.97 3ic8 h GLN 75 N 0.96 0.60 -0.01 1.92 4.15 -1.20 -3.08 115.11 118.46 3ic8 h GLN 75 Ca 0.24 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3ic8 h GLN 75 Cb 0.08 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 3ic8 h GLN 75 CO -0.03 0.68 0.00 1.49 -1.93 0.00 0.00 178.83 179.04 3ic8 h GLU 76 N 0.44 0.01 -3.97 1.69 4.57 -0.45 -3.41 114.58 113.46 3ic8 h GLU 76 Ca 0.11 -0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.72 3ic8 h GLU 76 Cb 0.38 -0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 28.57 3ic8 h GLU 76 CO 0.01 0.28 -0.77 0.21 -1.18 0.00 0.00 179.01 177.55 3ic8 s LYS 77 N -5.13 1.16 0.22 1.92 2.20 0.41 -5.03 119.74 115.48 3ic8 s LYS 77 Ca -0.15 -0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 54.64 3ic8 s LYS 77 Cb 0.04 -2.36 0.19 0.00 -1.51 0.00 0.00 37.83 34.18 3ic8 s LYS 77 CO 0.67 -0.64 1.77 0.00 -0.36 0.00 0.00 175.35 176.80 3ic8 h ALA 78 N 8.08 1.05 -4.21 3.13 0.00 -1.77 -3.39 119.26 122.15 3ic8 h ALA 78 Ca -0.17 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 3ic8 h ALA 78 Cb 1.09 -0.29 -0.28 0.00 0.00 0.00 0.00 17.79 18.31 3ic8 h ALA 78 CO 0.38 0.65 -0.84 0.45 0.00 0.00 0.00 179.25 179.90 3ic8 s SER 79 N -6.42 2.21 0.61 0.00 0.15 -1.26 -3.48 113.70 105.51 3ic8 s SER 79 Ca -0.12 -0.40 -0.17 0.00 0.70 0.00 0.00 55.95 55.96 3ic8 s SER 79 Cb 0.15 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3ic8 s SER 79 CO 0.84 0.19 1.11 -2.16 1.20 0.00 0.00 173.24 174.42 3ic8 s PRO 80 N -0.73 3.04 -0.13 5.44 0.04 -1.26 -5.02 135.00 136.37 3ic8 s PRO 80 Ca 0.07 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 3ic8 s PRO 80 Cb -0.08 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3ic8 s PRO 80 CO 0.00 -1.07 0.24 0.00 0.04 0.00 0.00 177.00 176.21 3ic8 s ALA 81 N -2.12 3.69 0.30 8.56 0.00 -1.23 -4.86 121.76 126.09 3ic8 s ALA 81 Ca 0.69 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3ic8 s ALA 81 Cb -0.22 -2.25 0.46 0.00 0.00 0.00 0.00 23.12 21.11 3ic8 s ALA 81 CO 0.36 0.29 1.83 0.74 0.00 0.00 0.00 175.76 178.97 3ic8 h PHE 82 N 5.98 0.75 -3.28 0.00 0.04 -1.85 -3.39 116.94 115.19 3ic8 h PHE 82 Ca -0.46 -0.07 -0.63 0.00 2.80 0.00 0.00 57.97 59.61 3ic8 h PHE 82 Cb 1.19 -0.22 -0.41 0.00 2.20 0.00 0.00 35.95 38.71 3ic8 h PHE 82 CO 0.65 0.67 -0.68 0.71 -0.60 0.00 0.00 178.31 179.06 3ic8 s TYR 83 N -5.11 2.78 0.40 -0.55 1.51 -1.26 -2.02 117.35 113.11 3ic8 s TYR 83 Ca -0.09 -2.85 -0.27 0.00 -1.01 0.00 0.00 57.07 52.85 3ic8 s TYR 83 Cb 0.15 -2.48 -0.10 0.00 -0.11 0.00 0.00 41.96 39.43 3ic8 s TYR 83 CO 0.79 -0.78 1.42 -2.14 -1.11 0.00 0.00 175.55 173.73 3ic8 s PRO 84 N 0.13 3.97 0.21 -1.71 0.02 -1.26 -4.78 135.00 131.57 3ic8 s PRO 84 Ca 0.16 2.42 -0.32 0.00 0.02 0.00 0.00 61.00 63.29 3ic8 s PRO 84 Cb -0.24 -2.84 -0.12 0.00 0.02 0.00 0.00 34.50 31.32 3ic8 s PRO 84 CO -0.02 -0.59 1.71 -0.65 -0.33 0.00 0.00 177.00 177.12 3ic8 s GLN 85 N -2.20 4.13 0.00 5.54 -0.21 -1.26 -1.67 119.66 123.99 3ic8 s GLN 85 Ca 0.56 2.59 0.00 0.00 0.02 0.00 0.00 55.36 58.52 3ic8 s GLN 85 Cb -0.44 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.49 3ic8 s GLN 85 CO 0.58 -0.74 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 3ic8 n GLY 86 N 3.92 1.01 0.20 3.09 0.00 -1.26 -4.85 105.19 107.30 3ic8 n GLY 86 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 3ic8 n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ic8 n GLN 87 N -2.00 0.94 -0.06 1.61 6.02 -0.67 -4.93 117.38 118.28 3ic8 n GLN 87 Ca 0.00 -1.93 -0.10 0.00 -0.01 0.00 0.00 57.00 54.96 3ic8 n GLN 87 Cb 0.00 -1.11 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 3ic8 n GLN 87 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3ic8 h GLU 88 N 0.00 0.33 -0.42 -1.09 3.07 -1.86 -2.19 114.58 112.42 3ic8 h GLU 88 Ca 0.00 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 3ic8 h GLU 88 Cb 1.10 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 3ic8 h GLU 88 CO 0.00 0.37 0.06 0.35 -1.40 0.00 0.00 179.01 178.39 3ic8 h PHE 89 N 0.21 0.75 -0.61 4.33 3.57 -1.94 -2.53 116.94 120.72 3ic8 h PHE 89 Ca 0.07 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3ic8 h PHE 89 Cb 0.16 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3ic8 h PHE 89 CO -0.01 0.73 0.22 0.00 -2.23 0.00 0.00 178.31 177.02 3ic8 h ALA 90 N 0.93 0.80 -0.39 2.41 0.00 -1.93 -2.03 119.26 119.05 3ic8 h ALA 90 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ic8 h ALA 90 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ic8 h ALA 90 CO 0.01 0.44 0.06 0.28 0.00 0.00 0.00 179.25 180.04 3ic8 h VAL 91 N 0.86 1.24 -0.67 0.00 2.07 -1.43 -1.87 116.25 116.46 3ic8 h VAL 91 Ca 0.20 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3ic8 h VAL 91 Cb 0.24 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3ic8 h VAL 91 CO -0.01 0.29 0.26 0.00 0.02 0.00 0.00 177.57 178.13 3ic8 h ALA 92 N 0.92 0.87 -0.38 1.67 0.00 -1.35 -1.54 119.26 119.45 3ic8 h ALA 92 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ic8 h ALA 92 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ic8 h ALA 92 CO 0.01 0.50 0.12 0.78 0.00 0.00 0.00 179.25 180.66 3ic8 h GLY 93 N 0.95 0.64 1.02 0.00 0.00 -1.33 -1.08 103.07 103.28 3ic8 h GLY 93 Ca 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3ic8 h GLY 93 CO -0.02 0.35 0.33 -2.00 0.00 0.00 0.00 176.54 175.20 3ic8 h LEU 94 N 0.47 0.98 -0.58 3.11 5.85 -1.16 -1.46 115.31 122.52 3ic8 h LEU 94 Ca 0.12 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3ic8 h LEU 94 Cb 0.26 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ic8 h LEU 94 CO -0.00 0.86 0.23 0.00 -0.34 0.00 0.00 178.44 179.19 3ic8 h ALA 95 N 1.16 0.75 -0.85 1.25 0.00 -1.19 -1.01 119.26 119.38 3ic8 h ALA 95 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ic8 h ALA 95 Cb 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ic8 h ALA 95 CO -0.03 0.36 0.40 0.00 0.00 0.00 0.00 179.25 179.99 3ic8 h ALA 96 N 1.08 1.09 -0.53 0.00 0.00 -0.86 -0.42 119.26 119.62 3ic8 h ALA 96 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ic8 h ALA 96 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ic8 h ALA 96 CO -0.02 0.66 0.14 2.35 0.00 0.00 0.00 179.25 182.38 3ic8 h TRP 97 N 1.21 0.88 -0.64 0.00 7.01 -1.03 -2.61 115.95 120.77 3ic8 h TRP 97 Ca 0.29 -0.10 -0.08 0.00 2.11 0.00 0.00 58.89 61.11 3ic8 h TRP 97 Cb 0.12 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 3ic8 h TRP 97 CO 0.02 0.76 0.07 0.00 -2.79 0.00 0.00 178.44 176.50 3ic8 h ALA 98 N 1.01 0.91 0.00 2.65 0.00 -0.86 -1.10 119.26 121.87 3ic8 h ALA 98 Ca 0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3ic8 h ALA 98 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ic8 h ALA 98 CO -0.00 0.66 -0.22 -0.44 0.00 0.00 0.00 179.25 179.26 3ic8 h ASP 99 N 1.00 0.00 0.00 0.00 3.32 -1.00 -1.04 116.42 118.70 3ic8 h ASP 99 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ic8 h ASP 99 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ic8 h ASP 99 CO 0.02 0.22 0.00 -1.54 -1.72 0.00 0.00 179.24 176.21 3ic8 n SER 100 N -4.10 0.00 0.02 6.45 3.41 -0.99 -4.46 113.62 113.96 3ic8 n SER 100 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.47 3ic8 n SER 100 Cb 0.29 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 3ic8 n SER 100 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ic8 h VAL 101 N 0.00 1.12 -0.53 -3.33 2.07 -1.39 -2.06 116.25 112.14 3ic8 h VAL 101 Ca 0.00 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 3ic8 h VAL 101 Cb 0.00 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3ic8 h VAL 101 CO 0.00 0.10 0.04 0.25 0.02 0.00 0.00 177.57 177.98 3ic8 h LEU 102 N -0.13 0.87 -0.81 2.57 5.85 -1.51 -2.82 115.31 119.33 3ic8 h LEU 102 Ca 0.00 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3ic8 h LEU 102 Cb 0.15 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3ic8 h LEU 102 CO -0.00 0.94 0.34 0.15 -0.34 0.00 0.00 178.44 179.54 3ic8 h PHE 103 N 0.78 1.22 -0.53 1.25 3.57 -1.19 -2.10 116.94 119.92 3ic8 h PHE 103 Ca 0.15 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3ic8 h PHE 103 Cb 0.47 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3ic8 h PHE 103 CO 0.03 0.91 0.20 1.25 -2.23 0.00 0.00 178.31 178.47 3ic8 h LEU 104 N 1.17 0.75 -0.48 0.59 5.85 -1.27 -2.30 115.31 119.62 3ic8 h LEU 104 Ca 0.27 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3ic8 h LEU 104 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3ic8 h LEU 104 CO -0.03 0.73 0.20 0.45 -0.34 0.00 0.00 178.44 179.45 3ic8 h HIS 105 N 0.73 0.72 -0.58 1.25 3.86 -1.33 -2.60 115.15 117.20 3ic8 h HIS 105 Ca 0.18 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3ic8 h HIS 105 Cb 0.23 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 3ic8 h HIS 105 CO 0.01 0.60 0.27 0.00 0.86 0.00 0.00 177.93 179.68 3ic8 h ALA 106 N 1.04 0.74 -0.17 2.45 0.00 -1.14 -2.53 119.26 119.65 3ic8 h ALA 106 Ca 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3ic8 h ALA 106 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ic8 h ALA 106 CO -0.01 0.31 -0.29 -0.39 0.00 0.00 0.00 179.25 178.87 3ic8 h VAL 107 N 0.78 1.26 -0.60 0.00 -1.51 -1.42 -2.88 116.25 111.89 3ic8 h VAL 107 Ca 0.20 -1.27 -0.06 0.00 -1.23 0.00 0.00 66.70 64.35 3ic8 h VAL 107 Cb 0.13 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 3ic8 h VAL 107 CO -0.02 0.39 0.16 0.28 -1.23 0.00 0.00 177.57 177.14 3ic8 h SER 108 N 0.30 0.90 -0.26 4.19 0.02 -1.24 -2.32 113.55 115.14 3ic8 h SER 108 Ca 0.04 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3ic8 h SER 108 Cb 0.66 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3ic8 h SER 108 CO 0.05 0.89 0.05 -0.07 -1.14 0.00 0.00 176.83 176.62 3ic8 h LEU 109 N 0.87 0.40 -0.06 5.07 3.38 -1.39 -3.32 115.31 120.26 3ic8 h LEU 109 Ca 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3ic8 h LEU 109 Cb 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ic8 h LEU 109 CO -0.00 0.54 -0.05 0.58 0.09 0.00 0.00 178.44 179.60 3ic8 h VAL 110 N 0.24 1.36 -1.05 1.22 2.07 -1.54 -3.38 116.25 115.18 3ic8 h VAL 110 Ca 0.08 -1.17 -0.74 0.00 0.82 0.00 0.00 66.70 65.69 3ic8 h VAL 110 Cb 0.30 2.03 -0.11 0.00 -1.52 0.00 0.00 31.29 31.99 3ic8 h VAL 110 CO 0.00 0.32 2.53 0.49 0.02 0.00 0.00 177.57 180.93 3ic8 n PHE 111 N -4.75 2.63 -4.11 1.57 3.72 -0.88 -4.65 117.46 111.00 3ic8 n PHE 111 Ca -0.08 -2.85 -0.08 0.00 -0.05 0.00 0.00 57.45 54.40 3ic8 n PHE 111 Cb 0.28 -1.93 -0.10 0.00 -0.94 0.00 0.00 39.48 36.79 3ic8 n PHE 111 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3ic8 s GLN 112 N -0.53 0.68 0.52 -1.08 -2.07 -1.26 -4.92 119.66 111.00 3ic8 s GLN 112 Ca 0.54 -1.26 0.24 0.00 -1.82 0.00 0.00 55.36 53.05 3ic8 s GLN 112 Cb 0.17 0.17 1.41 0.00 -1.09 0.00 0.00 33.01 33.67 3ic8 s GLN 112 CO -0.08 -0.12 2.10 -1.35 -1.32 0.00 0.00 175.29 174.53 3ic8 h PRO 113 N 3.09 0.00 0.00 9.60 0.11 -1.94 -2.17 132.00 140.69 3ic8 h PRO 113 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ic8 h PRO 113 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ic8 h PRO 113 CO 0.65 0.10 0.00 0.93 -0.21 0.00 0.00 178.00 179.47 3ic8 h GLU 114 N 0.00 0.00 0.00 1.05 3.07 -1.94 -3.55 114.58 113.21 3ic8 h GLU 114 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3ic8 h GLU 114 Cb 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3ic8 h GLU 114 CO 0.01 0.00 -0.23 0.77 -1.40 0.00 0.00 179.01 178.16 3ic8 h SER 115 N 0.00 0.00 -1.27 1.42 0.02 -1.66 -3.48 113.55 108.58 3ic8 h SER 115 Ca 0.00 -0.08 -0.72 0.00 -0.84 0.00 0.00 61.79 60.16 3ic8 h SER 115 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3ic8 h SER 115 CO 0.00 0.66 1.12 -0.81 -1.14 0.00 0.00 176.83 176.66 3ic8 n PRO 148 N -4.70 1.07 -0.15 3.45 -0.05 -1.26 -4.76 135.00 128.61 3ic8 n PRO 148 Ca -0.04 0.36 -0.03 0.00 -0.05 0.00 0.00 63.50 63.74 3ic8 n PRO 148 Cb 0.15 -2.19 0.19 0.00 -0.05 0.00 0.00 33.50 31.60 3ic8 n PRO 148 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3ic8 h VAL 149 N 6.02 1.23 -0.76 0.52 2.07 -1.99 -2.43 116.25 120.90 3ic8 h VAL 149 Ca -0.37 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 3ic8 h VAL 149 Cb 1.33 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3ic8 h VAL 149 CO 0.99 0.30 0.25 -0.33 0.02 0.00 0.00 177.57 178.80 3ic8 h GLU 150 N 0.84 1.17 -0.60 1.57 3.07 -2.00 -0.27 114.58 118.36 3ic8 h GLU 150 Ca 0.19 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 3ic8 h GLU 150 Cb 0.26 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3ic8 h GLU 150 CO -0.01 0.98 0.06 0.37 -1.40 0.00 0.00 179.01 179.01 3ic8 h GLN 151 N 1.13 1.03 -0.65 2.33 5.75 -1.89 -1.90 115.11 120.91 3ic8 h GLN 151 Ca 0.25 -0.30 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 3ic8 h GLN 151 Cb 0.29 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 3ic8 h GLN 151 CO -0.01 0.99 0.28 0.28 -2.65 0.00 0.00 178.83 177.71 3ic8 h VAL 152 N 0.93 1.23 -0.82 2.39 2.07 -0.97 -0.30 116.25 120.78 3ic8 h VAL 152 Ca 0.18 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3ic8 h VAL 152 Cb 0.48 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3ic8 h VAL 152 CO 0.02 0.28 0.34 0.11 0.02 0.00 0.00 177.57 178.34 3ic8 h LYS 153 N 0.90 1.21 -0.63 1.57 1.57 -0.86 -1.59 116.57 118.75 3ic8 h LYS 153 Ca 0.22 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3ic8 h LYS 153 Cb 0.17 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3ic8 h LYS 153 CO -0.02 0.97 0.27 1.25 -0.57 0.00 0.00 179.45 181.34 3ic8 h HIS 154 N 1.18 0.94 0.00 -1.35 2.76 -0.95 -3.20 115.15 114.53 3ic8 h HIS 154 Ca 0.27 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 3ic8 h HIS 154 Cb 0.20 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 3ic8 h HIS 154 CO 0.02 0.73 -0.60 1.96 -1.30 0.00 0.00 177.93 178.74 3ic8 h GLN 155 N 0.87 0.00 -0.69 5.26 4.20 -0.61 -3.40 115.11 120.74 3ic8 h GLN 155 Ca 0.21 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3ic8 h GLN 155 Cb 0.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3ic8 h GLN 155 CO -0.02 0.60 0.32 2.35 -0.67 0.00 0.00 178.83 181.41 3ic8 h TRP 156 N 0.00 0.98 -0.02 2.96 2.91 -1.30 -2.21 115.95 119.28 3ic8 h TRP 156 Ca -0.01 -0.04 -0.05 0.00 1.13 0.00 0.00 58.89 59.92 3ic8 h TRP 156 Cb 1.10 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.44 3ic8 h TRP 156 CO 0.00 0.72 -0.23 -1.35 -1.03 0.00 0.00 178.44 176.55 3ic8 h PRO 157 N 0.98 0.03 -0.26 2.65 0.11 -1.78 -2.70 132.00 131.04 3ic8 h PRO 157 Ca 0.24 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3ic8 h PRO 157 Cb 0.12 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3ic8 h PRO 157 CO -0.03 0.26 0.11 1.15 -0.21 0.00 0.00 178.00 179.27 3ic8 h THR 158 N 0.03 1.17 0.00 -1.15 2.02 -1.67 -2.11 112.91 111.20 3ic8 h THR 158 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3ic8 h THR 158 Cb 0.42 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3ic8 h THR 158 CO 0.03 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.58 3ic8 n PHE 159 N -4.78 0.00 0.00 3.16 3.72 -1.02 -2.84 117.46 115.70 3ic8 n PHE 159 Ca -0.03 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3ic8 n PHE 159 Cb 0.13 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3ic8 n PHE 159 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ic8 n SER 161 N 0.47 0.00 -0.11 4.37 3.41 -0.79 -2.23 113.62 118.73 3ic8 n SER 161 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3ic8 n SER 161 Cb 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3ic8 n SER 161 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ic8 h ARG 162 N 0.00 0.52 -0.69 4.33 3.08 -1.76 0.39 114.38 120.26 3ic8 h ARG 162 Ca 0.00 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 3ic8 h ARG 162 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3ic8 h ARG 162 CO 0.00 0.56 0.18 1.25 -1.07 0.00 0.00 179.97 180.89 3ic8 h LEU 163 N 0.39 1.02 -0.69 3.04 5.85 -1.73 -2.24 115.31 120.95 3ic8 h LEU 163 Ca 0.11 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3ic8 h LEU 163 Cb 0.25 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3ic8 h LEU 163 CO -0.00 0.97 0.32 -0.08 -0.34 0.00 0.00 178.44 179.31 3ic8 h GLU 164 N 1.03 1.00 -0.67 1.25 4.57 -1.80 -2.33 114.58 117.62 3ic8 h GLU 164 Ca 0.22 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3ic8 h GLU 164 Cb 0.34 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3ic8 h GLU 164 CO -0.00 0.79 0.38 0.77 -1.18 0.00 0.00 179.01 179.77 3ic8 h SER 165 N 0.96 0.83 -0.53 1.04 0.02 -0.58 -2.47 113.55 112.82 3ic8 h SER 165 Ca 0.24 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3ic8 h SER 165 Cb 0.13 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3ic8 h SER 165 CO -0.03 0.68 0.06 -0.61 -1.14 0.00 0.00 176.83 175.79 3ic8 h GLN 166 N 0.92 0.89 0.00 3.45 4.15 -1.28 -3.29 115.11 119.94 3ic8 h GLN 166 Ca 0.24 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 3ic8 h GLN 166 Cb 0.02 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3ic8 h GLN 166 CO -0.04 0.88 -0.36 -0.07 -1.93 0.00 0.00 178.83 177.32 3ic8 h LEU 167 N 0.77 0.00 -1.15 -2.39 3.38 -1.34 -3.13 115.31 111.45 3ic8 h LEU 167 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ic8 h LEU 167 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ic8 h LEU 167 CO 0.02 0.36 0.00 -1.54 0.09 0.00 0.00 178.44 177.36 3ic8 n SER 168 N -3.57 0.63 -0.01 -0.43 3.41 -0.94 -0.52 113.62 112.20 3ic8 n SER 168 Ca -0.00 0.73 0.15 0.00 -0.26 0.00 0.00 58.87 59.49 3ic8 n SER 168 Cb 0.49 -0.83 0.81 0.00 -0.26 0.00 0.00 64.21 64.41 3ic8 n SER 168 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ic8 n HIS 169 N -2.27 0.00 -0.84 7.33 8.25 -1.18 -4.92 115.22 121.58 3ic8 n HIS 169 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ic8 n HIS 169 Cb 0.12 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.03 3ic8 n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ic8 n GLY 170 N 1.20 0.56 3.76 -1.41 0.00 0.33 -5.03 105.19 104.60 3ic8 n GLY 170 Ca 0.17 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3ic8 n GLY 170 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ic8 s GLY 171 N -2.14 2.84 0.17 -0.02 0.00 -1.26 -4.95 107.32 101.97 3ic8 s GLY 171 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 44.72 45.73 3ic8 s GLY 171 CO 0.00 1.86 1.66 -0.55 0.00 0.00 0.00 173.10 176.07 3ic8 h ASP 172 N 4.15 0.92 -5.07 1.64 3.32 -1.96 -3.47 116.42 115.95 3ic8 h ASP 172 Ca -0.47 -0.26 -0.37 0.00 0.02 0.00 0.00 57.03 55.95 3ic8 h ASP 172 Cb 1.22 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 3ic8 h ASP 172 CO 0.70 0.95 -0.57 -0.36 -1.72 0.00 0.00 179.24 178.23 3ic8 s PHE 173 N -5.21 1.49 0.30 4.55 0.40 -1.22 -4.93 117.98 113.37 3ic8 s PHE 173 Ca -0.12 -1.38 0.01 0.00 -0.60 0.00 0.00 56.93 54.83 3ic8 s PHE 173 Cb 0.13 -0.77 0.48 0.00 0.51 0.00 0.00 43.02 43.37 3ic8 s PHE 173 CO 0.83 -0.57 1.84 -0.07 0.70 0.00 0.00 175.22 177.95 3ic8 h LEU 174 N 2.34 0.65 -3.26 -0.37 3.38 -1.91 -2.97 115.31 113.17 3ic8 h LEU 174 Ca -0.34 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 3ic8 h LEU 174 Cb 1.25 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 3ic8 h LEU 174 CO 0.52 0.68 -0.21 0.49 0.09 0.00 0.00 178.44 180.00 3ic8 n PHE 175 N -4.27 0.80 0.00 1.13 3.01 -1.26 -5.00 117.46 111.87 3ic8 n PHE 175 Ca 0.03 -1.60 0.00 0.00 1.01 0.00 0.00 57.45 56.89 3ic8 n PHE 175 Cb 0.24 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 3ic8 n PHE 175 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ic8 n GLY 176 N -1.12 1.54 3.81 1.37 0.00 -1.12 -4.83 105.19 104.84 3ic8 n GLY 176 Ca 0.30 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3ic8 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic8 s ALA 177 N -1.00 2.67 0.67 4.61 0.00 -1.26 -3.41 121.76 124.03 3ic8 s ALA 177 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 3ic8 s ALA 177 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3ic8 s ALA 177 CO 0.00 -1.14 1.12 -1.25 0.00 0.00 0.00 175.76 174.49 3ic8 s PRO 178 N -4.73 2.72 0.29 0.00 0.04 -1.26 -4.57 135.00 127.48 3ic8 s PRO 178 Ca 0.60 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3ic8 s PRO 178 Cb -0.15 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.46 3ic8 s PRO 178 CO 0.50 -1.32 0.54 -1.54 0.04 0.00 0.00 177.00 175.21 3ic8 s SER 179 N -2.51 0.16 0.52 6.66 1.04 -1.26 -4.75 113.70 113.56 3ic8 s SER 179 Ca 0.68 -1.08 0.23 0.00 0.48 0.00 0.00 55.95 56.26 3ic8 s SER 179 Cb -0.21 0.65 1.39 0.00 0.10 0.00 0.00 66.02 67.95 3ic8 s SER 179 CO 0.42 -1.27 2.10 -0.29 0.98 0.00 0.00 173.24 175.17 3ic8 h ILE 180 N 2.16 0.76 -0.46 -1.02 6.09 -1.68 -2.02 117.51 121.35 3ic8 h ILE 180 Ca -0.27 -0.39 -0.04 0.00 -1.37 0.00 0.00 64.86 62.79 3ic8 h ILE 180 Cb 1.25 1.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.75 3ic8 h ILE 180 CO 0.36 0.10 0.12 0.00 -3.07 0.00 0.00 178.15 175.66 3ic8 h ALA 181 N 1.90 1.35 -0.66 0.18 0.00 -1.83 -1.81 119.26 118.39 3ic8 h ALA 181 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ic8 h ALA 181 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ic8 h ALA 181 CO 0.01 0.46 0.35 -0.44 0.00 0.00 0.00 179.25 179.64 3ic8 h ASP 182 N 0.67 0.84 -0.63 0.00 3.32 -1.76 -1.49 116.42 117.37 3ic8 h ASP 182 Ca 0.15 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3ic8 h ASP 182 Cb 0.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3ic8 h ASP 182 CO -0.00 0.70 0.08 -0.26 -1.72 0.00 0.00 179.24 178.04 3ic8 h PHE 183 N 0.91 1.12 -0.33 4.55 0.04 -1.55 0.20 116.94 121.88 3ic8 h PHE 183 Ca 0.23 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3ic8 h PHE 183 Cb 0.06 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 3ic8 h PHE 183 CO -0.00 0.96 0.14 1.03 -0.60 0.00 0.00 178.31 179.84 3ic8 h SER 184 N 0.96 0.45 -0.51 2.17 0.87 -1.06 0.98 113.55 117.41 3ic8 h SER 184 Ca 0.19 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 3ic8 h SER 184 Cb 0.46 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3ic8 h SER 184 CO 0.02 0.48 0.01 0.58 -0.53 0.00 0.00 176.83 177.38 3ic8 h VAL 185 N 0.39 1.26 -0.44 2.23 2.07 -1.18 -3.13 116.25 117.45 3ic8 h VAL 185 Ca 0.11 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 3ic8 h VAL 185 Cb 0.16 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3ic8 h VAL 185 CO -0.01 0.38 0.11 0.00 0.02 0.00 0.00 177.57 178.07 3ic8 h ALA 186 N 0.94 1.37 -0.81 1.67 0.00 -0.30 -2.83 119.26 119.30 3ic8 h ALA 186 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ic8 h ALA 186 Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ic8 h ALA 186 CO 0.02 0.45 0.48 1.25 0.00 0.00 0.00 179.25 181.46 3ic8 h HIS 187 N 0.64 1.08 -0.70 0.00 2.76 -0.75 -2.22 115.15 115.96 3ic8 h HIS 187 Ca 0.15 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3ic8 h HIS 187 Cb 0.23 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.81 3ic8 h HIS 187 CO 0.01 0.73 0.32 1.79 -1.30 0.00 0.00 177.93 179.48 3ic8 h THR 188 N 1.12 1.24 0.00 6.26 1.35 -1.53 -2.67 112.91 118.68 3ic8 h THR 188 Ca 0.29 -0.69 -0.05 0.00 -0.55 0.00 0.00 66.41 65.41 3ic8 h THR 188 Cb -0.03 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 66.77 3ic8 h THR 188 CO -0.05 0.28 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.20 3ic8 h LEU 189 N 0.99 0.00 -1.22 3.87 3.38 -1.43 -2.84 115.31 118.05 3ic8 h LEU 189 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3ic8 h LEU 189 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ic8 h LEU 189 CO -0.03 0.23 0.15 -0.25 0.09 0.00 0.00 178.44 178.64 3ic8 h TRP 190 N 0.00 0.70 -0.55 1.13 2.91 -1.05 -2.00 115.95 117.09 3ic8 h TRP 190 Ca -0.00 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 3ic8 h TRP 190 Cb 0.50 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 3ic8 h TRP 190 CO 0.00 0.57 0.24 0.74 -1.03 0.00 0.00 178.44 178.97 3ic8 h PHE 191 N 0.68 0.81 -0.43 2.65 0.04 -1.55 -3.05 116.94 116.09 3ic8 h PHE 191 Ca 0.16 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 3ic8 h PHE 191 Cb 0.20 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3ic8 h PHE 191 CO 0.01 0.64 0.03 -0.07 -0.60 0.00 0.00 178.31 178.33 3ic8 h LEU 192 N 0.74 0.63 -1.74 1.54 -0.00 -1.47 -2.90 115.31 112.11 3ic8 h LEU 192 Ca 0.19 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3ic8 h LEU 192 Cb 0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 3ic8 h LEU 192 CO -0.02 0.68 0.00 0.11 -0.00 0.00 0.00 178.44 179.21 3ic8 h LYS 193 N 0.64 0.00 0.00 1.13 1.79 -1.33 -2.90 116.57 115.90 3ic8 h LYS 193 Ca 0.14 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 3ic8 h LYS 193 Cb 0.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3ic8 h LYS 193 CO 0.01 0.00 -0.07 1.96 -1.08 0.00 0.00 179.45 180.27 3ic8 h GLN 194 N 0.00 0.00 -4.94 3.15 1.08 -1.55 -3.45 115.11 109.40 3ic8 h GLN 194 Ca 0.00 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.80 3ic8 h GLN 194 Cb 0.22 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.39 3ic8 h GLN 194 CO 0.00 0.07 -0.78 0.99 -0.95 0.00 0.00 178.83 178.16 3ic8 s THR 195 N -3.99 0.85 0.24 -0.54 2.01 -1.18 -5.03 115.64 108.00 3ic8 s THR 195 Ca -0.02 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3ic8 s THR 195 Cb 0.12 -0.75 0.15 0.00 0.01 0.00 0.00 72.50 72.03 3ic8 s THR 195 CO 0.54 0.08 1.79 -0.65 -0.69 0.00 0.00 174.62 175.69 3ic8 h PRO 196 N 5.42 1.05 -0.57 4.92 0.11 -1.87 -1.07 132.00 139.99 3ic8 h PRO 196 Ca -0.34 -0.20 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3ic8 h PRO 196 Cb 1.18 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3ic8 h PRO 196 CO 0.47 0.88 0.09 0.28 -0.21 0.00 0.00 178.00 179.51 3ic8 h VAL 197 N 1.01 1.26 0.00 3.15 2.07 -1.93 -3.29 116.25 118.52 3ic8 h VAL 197 Ca 0.23 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3ic8 h VAL 197 Cb 0.26 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3ic8 h VAL 197 CO -0.01 0.36 -0.46 0.35 0.02 0.00 0.00 177.57 177.83 3ic8 n THR 198 N -4.33 0.31 0.13 2.57 -2.24 -1.12 -4.35 114.28 105.25 3ic8 n THR 198 Ca 0.03 -0.21 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 3ic8 n THR 198 Cb 0.27 -0.16 0.46 0.00 -2.10 0.00 0.00 70.33 68.80 3ic8 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ic8 h ALA 199 N 2.63 1.68 0.00 6.98 0.00 -0.99 -2.34 119.26 127.23 3ic8 h ALA 199 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ic8 h ALA 199 Cb 0.68 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ic8 h ALA 199 CO 0.00 0.24 -0.06 -1.35 0.00 0.00 0.00 179.25 178.08 3ic8 h PRO 200 N 0.25 0.00 0.00 0.00 0.11 -1.78 0.33 132.00 130.91 3ic8 h PRO 200 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3ic8 h PRO 200 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3ic8 h PRO 200 CO 0.00 0.06 -0.13 0.74 -0.21 0.00 0.00 178.00 178.47 3ic8 h PHE 201 N 0.00 0.00 0.01 0.65 0.04 -1.71 -2.55 116.94 113.38 3ic8 h PHE 201 Ca -0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 3ic8 h PHE 201 Cb 0.26 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 3ic8 h PHE 201 CO 0.00 0.13 -1.86 0.28 -0.60 0.00 0.00 178.31 176.25 3ic8 n VAL 202 N -4.35 1.55 0.30 -0.55 0.31 -0.42 -4.67 118.33 110.50 3ic8 n VAL 202 Ca -0.03 -0.24 0.19 0.00 -0.01 0.00 0.00 64.34 64.25 3ic8 n VAL 202 Cb 0.20 -1.92 0.92 0.00 -0.91 0.00 0.00 33.84 32.12 3ic8 n VAL 202 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ic8 h ASP 203 N -0.86 0.00 0.62 4.52 3.32 -0.37 -2.01 116.42 121.64 3ic8 h ASP 203 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ic8 h ASP 203 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3ic8 h ASP 203 CO -0.26 0.03 0.00 0.44 -1.72 0.00 0.00 179.24 177.73 3ic8 h ASP 204 N 0.00 0.00 -3.71 6.45 3.45 -1.69 -3.36 116.42 117.56 3ic8 h ASP 204 Ca -0.00 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.78 3ic8 h ASP 204 Cb 0.26 0.00 -0.36 0.00 -0.56 0.00 0.00 39.33 38.66 3ic8 h ASP 204 CO 0.00 0.00 -0.70 -0.31 -1.57 0.00 0.00 179.24 176.67 3ic8 s TYR 205 N -3.45 3.50 0.19 4.55 1.51 -0.76 -5.00 117.35 117.89 3ic8 s TYR 205 Ca 0.02 -2.46 -0.09 0.00 -1.01 0.00 0.00 57.07 53.53 3ic8 s TYR 205 Cb 0.09 -2.57 0.10 0.00 -0.11 0.00 0.00 41.96 39.47 3ic8 s TYR 205 CO 0.39 -0.90 1.71 -1.35 -1.11 0.00 0.00 175.55 174.28 3ic8 h PRO 206 N 7.83 1.07 -0.64 -1.71 0.11 -1.82 -2.69 132.00 134.15 3ic8 h PRO 206 Ca -0.13 -0.24 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 3ic8 h PRO 206 Cb 1.04 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 3ic8 h PRO 206 CO 0.55 0.94 0.24 0.77 -0.21 0.00 0.00 178.00 180.29 3ic8 h SER 207 N 1.00 0.86 -0.58 -2.05 0.02 -1.94 -2.59 113.55 108.27 3ic8 h SER 207 Ca 0.22 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3ic8 h SER 207 Cb 0.33 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3ic8 h SER 207 CO -0.00 0.78 0.15 0.58 -1.14 0.00 0.00 176.83 177.20 3ic8 h VAL 208 N 0.92 1.25 -0.72 2.27 2.07 -1.81 -2.72 116.25 117.51 3ic8 h VAL 208 Ca 0.21 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3ic8 h VAL 208 Cb 0.20 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3ic8 h VAL 208 CO -0.02 0.32 0.22 -1.28 0.02 0.00 0.00 177.57 176.84 3ic8 h SER 209 N 0.83 1.06 -0.38 0.57 0.87 -1.17 0.13 113.55 115.46 3ic8 h SER 209 Ca 0.18 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 3ic8 h SER 209 Cb 0.33 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3ic8 h SER 209 CO -0.00 0.99 0.07 0.58 -0.53 0.00 0.00 176.83 177.94 3ic8 h VAL 210 N 1.08 1.24 -0.73 2.23 2.07 -1.49 -2.55 116.25 118.09 3ic8 h VAL 210 Ca 0.23 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3ic8 h VAL 210 Cb 0.31 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3ic8 h VAL 210 CO -0.01 0.28 0.26 -0.25 0.02 0.00 0.00 177.57 177.87 3ic8 h TRP 211 N 0.47 1.14 -0.65 1.57 7.01 -1.21 -2.71 115.95 121.57 3ic8 h TRP 211 Ca 0.12 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 3ic8 h TRP 211 Cb 0.35 -0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3ic8 h TRP 211 CO 0.02 0.89 0.21 1.25 -2.79 0.00 0.00 178.44 178.02 3ic8 h LEU 212 N 1.08 0.95 -1.15 0.65 5.85 -0.59 -2.04 115.31 120.06 3ic8 h LEU 212 Ca 0.24 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3ic8 h LEU 212 Cb 0.26 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3ic8 h LEU 212 CO -0.01 0.90 -0.07 0.44 -0.34 0.00 0.00 178.44 179.36 3ic8 h ASP 213 N 0.94 0.49 -0.39 1.25 3.32 -1.32 -1.76 116.42 118.97 3ic8 h ASP 213 Ca 0.21 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3ic8 h ASP 213 Cb 0.29 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3ic8 h ASP 213 CO -0.01 0.61 0.13 -0.09 -1.72 0.00 0.00 179.24 178.17 3ic8 h ARG 214 N 0.49 0.59 -0.60 3.56 2.43 -1.14 -2.07 114.38 117.64 3ic8 h ARG 214 Ca 0.10 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3ic8 h ARG 214 Cb 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3ic8 h ARG 214 CO 0.02 0.58 0.05 0.28 -1.51 0.00 0.00 179.97 179.39 3ic8 h VAL 215 N 0.48 1.26 0.00 0.20 2.07 -1.01 -2.77 116.25 116.48 3ic8 h VAL 215 Ca 0.13 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3ic8 h VAL 215 Cb 0.23 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3ic8 h VAL 215 CO -0.01 0.39 -0.15 -0.07 0.02 0.00 0.00 177.57 177.75 3ic8 h LEU 216 N 0.94 0.00 -0.18 2.57 4.07 -1.29 -3.25 115.31 118.17 3ic8 h LEU 216 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3ic8 h LEU 216 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3ic8 h LEU 216 CO 0.02 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.14 3ic8 n GLY 217 N -0.20 -1.30 0.25 0.83 0.00 -0.78 -2.37 105.19 101.62 3ic8 n GLY 217 Ca -0.01 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3ic8 n GLY 217 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ic8 h PHE 218 N 0.00 0.00 -0.33 1.61 0.04 -1.66 -3.49 116.94 113.11 3ic8 h PHE 218 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ic8 h PHE 218 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3ic8 h PHE 218 CO 0.00 0.16 0.00 0.41 -0.60 0.00 0.00 178.31 178.28 3ic8 n GLY 219 N -0.61 -1.26 0.42 -1.45 0.00 -1.00 -4.36 105.19 96.94 3ic8 n GLY 219 Ca -0.02 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.84 3ic8 n GLY 219 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ic8 n HIS 220 N -0.18 0.00 -3.59 1.61 8.25 -1.26 -3.55 115.22 116.50 3ic8 n HIS 220 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ic8 n HIS 220 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ic8 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ic8 n GLY 221 N 1.11 -0.84 3.22 -1.41 0.00 -1.26 -3.65 105.19 102.36 3ic8 n GLY 221 Ca 0.07 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3ic8 n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ic8 s SER 222 N -4.00 3.49 0.11 1.61 0.01 -1.23 -5.01 113.70 108.69 3ic8 s SER 222 Ca 0.00 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 56.80 3ic8 s SER 222 Cb 0.00 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 3ic8 s SER 222 CO 0.00 0.06 -0.16 -1.48 0.41 0.00 0.00 173.24 172.06 3ic8 s LEU 223 N 0.98 2.36 -0.01 2.44 0.05 -1.26 -1.32 118.68 121.92 3ic8 s LEU 223 Ca -0.02 -0.75 0.05 0.00 0.05 0.00 0.00 54.13 53.45 3ic8 s LEU 223 Cb -0.15 -0.66 -0.01 0.00 -2.05 0.00 0.00 46.19 43.32 3ic8 s LEU 223 CO -0.03 -0.07 -0.16 -0.44 -0.55 0.00 0.00 176.35 175.09 3ic8 s SER 224 N -2.23 1.94 0.41 1.48 0.01 -0.99 -4.98 113.70 109.34 3ic8 s SER 224 Ca 0.07 -0.31 -0.26 0.00 1.31 0.00 0.00 55.95 56.76 3ic8 s SER 224 Cb -0.07 -0.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.86 3ic8 s SER 224 CO 0.04 0.19 1.34 -1.81 0.41 0.00 0.00 173.24 173.41 3ic8 s ASP 225 N -0.44 6.24 -0.03 2.44 1.01 -1.26 -1.08 116.67 123.55 3ic8 s ASP 225 Ca 0.06 2.73 0.02 0.00 0.71 0.00 0.00 52.55 56.07 3ic8 s ASP 225 Cb -0.06 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.23 3ic8 s ASP 225 CO -0.00 -0.91 -0.06 -0.22 0.21 0.00 0.00 175.17 174.19 3ic8 s LEU 226 N -2.45 1.61 0.62 1.23 2.96 0.02 -4.75 118.68 117.92 3ic8 s LEU 226 Ca 0.57 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 3ic8 s LEU 226 Cb -0.40 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 3ic8 s LEU 226 CO 0.51 0.00 1.09 -0.94 -1.32 0.00 0.00 176.35 175.70 3ic8 s SER 227 N 0.47 5.44 0.31 3.68 1.04 -1.26 -4.12 113.70 119.25 3ic8 s SER 227 Ca -0.06 1.94 0.01 0.00 0.48 0.00 0.00 55.95 58.33 3ic8 s SER 227 Cb -0.10 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 63.97 3ic8 s SER 227 CO 0.00 -1.40 1.85 0.77 0.98 0.00 0.00 173.24 175.44 3ic8 h SER 228 N 0.31 0.65 -0.66 7.02 4.64 -1.95 -2.41 113.55 121.16 3ic8 h SER 228 Ca -0.47 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 60.65 3ic8 h SER 228 Cb 1.24 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 3ic8 h SER 228 CO 0.56 0.67 0.10 0.00 -0.87 0.00 0.00 176.83 177.29 3ic8 h ALA 229 N 1.42 0.92 -0.42 5.18 0.00 -1.96 -2.53 119.26 121.87 3ic8 h ALA 229 Ca 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ic8 h ALA 229 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ic8 h ALA 229 CO 0.00 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.97 3ic8 h ALA 230 N 1.07 1.31 -0.66 0.00 0.00 -1.83 -2.37 119.26 116.79 3ic8 h ALA 230 Ca 0.20 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ic8 h ALA 230 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ic8 h ALA 230 CO 0.01 0.48 0.07 0.00 0.00 0.00 0.00 179.25 179.81 3ic8 h ALA 231 N 1.44 0.87 -0.70 0.00 0.00 -1.20 -1.73 119.26 117.94 3ic8 h ALA 231 Ca 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3ic8 h ALA 231 Cb 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ic8 h ALA 231 CO 0.00 0.67 0.32 0.82 0.00 0.00 0.00 179.25 181.07 3ic8 h ILE 232 N 1.03 1.24 -0.62 0.00 2.04 -1.05 -2.68 117.51 117.45 3ic8 h ILE 232 Ca 0.19 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3ic8 h ILE 232 Cb 0.49 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3ic8 h ILE 232 CO 0.02 0.28 0.25 -0.33 0.00 0.00 0.00 178.15 178.37 3ic8 h GLU 233 N 0.98 0.91 -0.78 2.37 4.39 -1.09 -1.48 114.58 119.88 3ic8 h GLU 233 Ca 0.24 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3ic8 h GLU 233 Cb 0.14 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3ic8 h GLU 233 CO -0.03 0.75 0.33 0.82 -1.16 0.00 0.00 179.01 179.73 3ic8 h ILE 234 N 0.90 1.25 -0.50 3.13 2.04 -1.07 -0.79 117.51 122.46 3ic8 h ILE 234 Ca 0.21 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3ic8 h ILE 234 Cb 0.18 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3ic8 h ILE 234 CO -0.02 0.32 0.12 0.00 0.00 0.00 0.00 178.15 178.57 3ic8 h ALA 235 N 1.24 0.66 -0.32 1.87 0.00 -1.05 -1.55 119.26 120.12 3ic8 h ALA 235 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ic8 h ALA 235 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ic8 h ALA 235 CO -0.03 0.35 0.11 1.03 0.00 0.00 0.00 179.25 180.72 3ic8 h SER 236 N 0.69 0.45 0.25 0.00 0.87 -0.48 -2.87 113.55 112.47 3ic8 h SER 236 Ca 0.16 -0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 3ic8 h SER 236 Cb 0.33 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3ic8 h SER 236 CO 0.00 0.52 -0.29 0.78 -0.53 0.00 0.00 176.83 177.31 3ic8 h ASN 237 N 0.36 0.07 -4.26 6.23 2.35 -1.20 -3.45 115.58 115.68 3ic8 h ASN 237 Ca 0.10 -0.02 -0.48 0.00 -0.55 0.00 0.00 56.30 55.35 3ic8 h ASN 237 Cb 0.22 -0.02 0.08 0.00 0.05 0.00 0.00 38.32 38.64 3ic8 h ASN 237 CO -0.01 0.37 0.35 0.00 -1.65 0.00 0.00 177.43 176.49 3ic8 s ALA 238 N -4.38 2.97 0.03 -0.83 0.00 -0.59 -5.09 121.76 113.88 3ic8 s ALA 238 Ca -0.04 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.47 3ic8 s ALA 238 Cb 0.15 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3ic8 s ALA 238 CO 0.73 -1.15 -0.18 0.95 0.00 0.00 0.00 175.76 176.11 3ic8 s THR 239 N -3.30 1.40 0.50 0.00 -4.23 -1.26 -4.75 115.64 103.99 3ic8 s THR 239 Ca 0.58 -1.05 -0.23 0.00 -1.18 0.00 0.00 61.69 59.81 3ic8 s THR 239 Cb -0.11 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.44 3ic8 s THR 239 CO 0.49 0.15 1.32 -2.84 -0.54 0.00 0.00 174.62 173.20 3ic8 s PRO 240 N -1.05 3.45 0.73 3.99 0.02 -1.26 -4.62 135.00 136.26 3ic8 s PRO 240 Ca 0.05 2.15 -0.14 0.00 0.02 0.00 0.00 61.00 63.09 3ic8 s PRO 240 Cb -0.08 -2.41 0.04 0.00 0.02 0.00 0.00 34.50 32.07 3ic8 s PRO 240 CO 0.01 -0.91 1.14 0.00 -0.33 0.00 0.00 177.00 176.91 3ic8 s ALA 241 N -1.34 2.21 0.46 -1.55 0.00 -1.26 -4.94 121.76 115.34 3ic8 s ALA 241 Ca 0.66 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.97 3ic8 s ALA 241 Cb -0.38 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 3ic8 s ALA 241 CO 0.46 -1.72 1.32 -1.25 0.00 0.00 0.00 175.76 174.57 3ic8 s PRO 242 N -4.27 3.68 0.71 0.00 0.04 -1.26 -4.96 135.00 128.94 3ic8 s PRO 242 Ca 0.68 2.16 -0.13 0.00 0.04 0.00 0.00 61.00 63.75 3ic8 s PRO 242 Cb -0.22 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.78 3ic8 s PRO 242 CO 0.47 -0.73 1.09 -0.51 0.04 0.00 0.00 177.00 177.37 3ic8 s LEU 243 N -2.85 3.21 0.62 -3.56 1.43 -1.26 -5.00 118.68 111.28 3ic8 s LEU 243 Ca 0.62 1.88 -0.18 0.00 -1.03 0.00 0.00 54.13 55.43 3ic8 s LEU 243 Cb -0.38 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.29 3ic8 s LEU 243 CO 0.47 -1.77 1.19 -2.84 0.23 0.00 0.00 176.35 173.63 3ic8 s PRO 244 N -4.54 2.83 0.00 1.29 0.02 -1.26 -4.91 135.00 128.43 3ic8 s PRO 244 Ca 0.63 1.73 0.20 0.00 0.02 0.00 0.00 61.00 63.59 3ic8 s PRO 244 Cb -0.18 -1.92 0.60 0.00 0.02 0.00 0.00 34.50 33.01 3ic8 s PRO 244 CO 0.49 -1.30 1.47 -0.40 -0.33 0.00 0.00 177.00 176.93 3ic8 n ASP 245 N -1.89 2.25 -4.76 2.53 3.85 -1.26 -4.93 116.55 112.33 3ic8 n ASP 245 Ca 0.13 -1.84 -0.38 0.00 -0.71 0.00 0.00 54.79 51.99 3ic8 n ASP 245 Cb 0.50 -0.18 0.02 0.00 -1.35 0.00 0.00 41.12 40.11 3ic8 n ASP 245 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3ic8 s GLU 246 N -1.65 3.53 -0.17 0.11 2.12 -1.26 -5.00 118.70 116.38 3ic8 s GLU 246 Ca 0.33 2.10 -0.04 0.00 0.36 0.00 0.00 54.97 57.72 3ic8 s GLU 246 Cb 0.18 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 3ic8 s GLU 246 CO 0.26 -0.83 -0.03 0.95 -0.54 0.00 0.00 175.26 175.07 3ic8 s THR 247 N -1.36 3.78 -0.07 -1.70 -4.23 -1.26 -5.04 115.64 105.76 3ic8 s THR 247 Ca 0.65 -0.39 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 3ic8 s THR 247 Cb -0.37 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 70.83 3ic8 s THR 247 CO 0.45 0.47 0.33 0.12 -0.54 0.00 0.00 174.62 175.45 3ic8 s PHE 248 N 0.68 -0.28 -0.21 3.99 5.36 -1.26 -5.04 117.98 121.22 3ic8 s PHE 248 Ca -0.02 0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 56.49 3ic8 s PHE 248 Cb -0.14 0.12 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 3ic8 s PHE 248 CO 0.02 -0.30 0.00 0.42 -1.46 0.00 0.00 175.22 173.91 3ic8 s ILE 249 N -0.62 3.91 0.39 3.12 1.01 -1.26 -4.98 121.20 122.77 3ic8 s ILE 249 Ca -0.07 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 3ic8 s ILE 249 Cb -0.04 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.56 3ic8 s ILE 249 CO 0.03 0.41 1.35 -0.62 0.00 0.00 0.00 174.94 176.11 3ic8 s ASP 250 N 1.19 6.37 0.37 3.58 -1.08 -1.26 -4.89 116.67 120.96 3ic8 s ASP 250 Ca 0.03 2.76 0.07 0.00 -0.52 0.00 0.00 52.55 54.89 3ic8 s ASP 250 Cb -0.14 -2.65 0.74 0.00 -1.46 0.00 0.00 42.92 39.40 3ic8 s ASP 250 CO 0.01 -0.82 1.93 -0.65 0.52 0.00 0.00 175.17 176.17 3ic8 h PRO 251 N 2.86 0.41 -0.55 4.34 0.11 -1.97 -2.87 132.00 134.32 3ic8 h PRO 251 Ca -0.50 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3ic8 h PRO 251 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ic8 h PRO 251 CO 0.63 0.44 0.00 0.09 -0.21 0.00 0.00 178.00 178.95 3ic8 n ASN 252 N -4.33 4.22 0.00 -2.05 3.02 -1.26 -4.94 115.26 109.92 3ic8 n ASN 252 Ca 0.01 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 3ic8 n ASN 252 Cb 0.21 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3ic8 n ASN 252 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ic8 n GLY 253 N 0.86 0.81 3.77 7.41 0.00 -1.08 -5.01 105.19 111.94 3ic8 n GLY 253 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 3ic8 n GLY 253 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic8 s PHE 254 N -3.18 2.96 0.10 1.61 0.08 -1.26 -4.95 117.98 113.33 3ic8 s PHE 254 Ca 0.00 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.50 3ic8 s PHE 254 Cb 0.00 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 38.80 3ic8 s PHE 254 CO 0.00 -1.82 -0.02 0.15 -0.10 0.00 0.00 175.22 173.43 3ic8 s LYS 255 N -2.10 0.81 0.35 0.44 3.01 -1.26 -4.33 119.74 116.66 3ic8 s LYS 255 Ca 0.54 -1.34 -0.28 0.00 -1.01 0.00 0.00 55.97 53.88 3ic8 s LYS 255 Cb -0.37 0.02 -0.11 0.00 -1.01 0.00 0.00 37.83 36.37 3ic8 s LYS 255 CO 0.48 -0.11 1.45 0.00 0.51 0.00 0.00 175.35 177.68 3ic8 s ALA 256 N -3.82 3.58 0.00 5.17 0.00 -1.26 -1.89 121.76 123.54 3ic8 s ALA 256 Ca 0.14 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3ic8 s ALA 256 Cb 0.07 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3ic8 s ALA 256 CO -0.04 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3ic8 n GLY 257 N 0.80 1.05 3.78 0.00 0.00 -0.27 -5.01 105.19 105.53 3ic8 n GLY 257 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3ic8 n GLY 257 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ic8 s ASP 258 N -2.68 5.52 -0.25 1.61 1.01 -0.79 -4.79 116.67 116.30 3ic8 s ASP 258 Ca 0.00 2.01 -0.12 0.00 0.71 0.00 0.00 52.55 55.15 3ic8 s ASP 258 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3ic8 s ASP 258 CO 0.00 -1.35 0.25 -1.59 0.21 0.00 0.00 175.17 172.69 3ic8 s LYS 259 N -3.78 4.06 0.12 8.23 -2.85 -1.26 -2.17 119.74 122.08 3ic8 s LYS 259 Ca 0.68 -0.14 0.01 0.00 -1.00 0.00 0.00 55.97 55.53 3ic8 s LYS 259 Cb -0.20 -3.58 -0.04 0.00 -2.06 0.00 0.00 37.83 31.94 3ic8 s LYS 259 CO 0.34 -0.06 -0.04 0.08 0.10 0.00 0.00 175.35 175.78 3ic8 s VAL 260 N 1.42 0.60 0.05 1.79 1.01 -0.60 0.15 120.40 124.82 3ic8 s VAL 260 Ca 0.11 -1.93 0.06 0.00 0.00 0.00 0.00 61.98 60.22 3ic8 s VAL 260 Cb -0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3ic8 s VAL 260 CO 0.07 -0.75 -0.17 0.00 0.00 0.00 0.00 175.10 174.25 3ic8 s ALA 261 N -3.69 1.47 -0.05 5.51 0.00 -0.54 -1.46 121.76 123.00 3ic8 s ALA 261 Ca 0.16 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3ic8 s ALA 261 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3ic8 s ALA 261 CO -0.02 0.30 -0.14 0.42 0.00 0.00 0.00 175.76 176.32 3ic8 s ILE 262 N -0.89 1.22 0.07 0.00 1.01 0.24 -1.75 121.20 121.10 3ic8 s ILE 262 Ca 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3ic8 s ILE 262 Cb -0.09 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3ic8 s ILE 262 CO 0.02 0.37 -0.09 0.00 0.00 0.00 0.00 174.94 175.24 3ic8 s ALA 263 N 0.33 0.83 0.39 9.38 0.00 -0.90 0.26 121.76 132.05 3ic8 s ALA 263 Ca -0.09 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.63 3ic8 s ALA 263 Cb -0.13 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 3ic8 s ALA 263 CO 0.03 -0.04 1.22 0.00 0.00 0.00 0.00 175.76 176.97 3ic8 s ALA 264 N -1.98 3.23 0.24 0.00 0.00 -1.26 -0.37 121.76 121.62 3ic8 s ALA 264 Ca -0.02 1.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 3ic8 s ALA 264 Cb -0.06 -3.42 0.26 0.00 0.00 0.00 0.00 23.12 19.90 3ic8 s ALA 264 CO -0.00 -0.62 1.78 0.28 0.00 0.00 0.00 175.76 177.20 3ic8 h VAL 265 N 2.48 1.25 -0.66 0.00 2.07 -1.39 -2.67 116.25 117.32 3ic8 h VAL 265 Ca -0.49 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3ic8 h VAL 265 Cb 1.24 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3ic8 h VAL 265 CO 0.63 0.34 0.16 0.44 0.02 0.00 0.00 177.57 179.15 3ic8 h ASP 266 N 0.96 1.01 -2.46 0.57 5.19 -1.91 -3.40 116.42 116.37 3ic8 h ASP 266 Ca 0.21 -0.23 -0.60 0.00 -0.62 0.00 0.00 57.03 55.79 3ic8 h ASP 266 Cb 0.31 -0.27 -0.41 0.00 0.18 0.00 0.00 39.33 39.15 3ic8 h ASP 266 CO -0.00 0.98 -0.77 0.00 -3.12 0.00 0.00 179.24 176.32 3ic8 n TYR 267 N -4.29 1.74 0.30 4.55 0.18 -1.01 -4.92 117.16 113.72 3ic8 n TYR 267 Ca 0.04 -3.90 0.18 0.00 1.88 0.00 0.00 57.90 56.10 3ic8 n TYR 267 Cb 0.25 -0.36 0.88 0.00 -0.38 0.00 0.00 39.34 39.74 3ic8 n TYR 267 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 3ic8 h GLY 268 N 4.82 0.00 0.91 -7.48 0.00 -1.77 -3.14 103.07 96.41 3ic8 h GLY 268 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3ic8 h GLY 268 CO 0.63 0.00 0.11 -2.08 0.00 0.00 0.00 176.54 175.20 3ic8 h VAL 269 N 0.00 1.17 -0.92 4.60 2.07 -1.91 -3.24 116.25 118.02 3ic8 h VAL 269 Ca 0.00 -0.50 -0.67 0.00 0.82 0.00 0.00 66.70 66.35 3ic8 h VAL 269 Cb 0.20 1.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 3ic8 h VAL 269 CO 0.00 0.17 2.16 -0.62 0.02 0.00 0.00 177.57 179.30 3ic8 n GLU 270 N -4.78 3.99 -2.07 1.57 1.02 -1.19 -4.98 120.64 114.20 3ic8 n GLU 270 Ca -0.03 -2.98 -0.34 0.00 -0.02 0.00 0.00 57.16 53.80 3ic8 n GLU 270 Cb 0.12 -2.55 0.02 0.00 -0.02 0.00 0.00 31.44 29.01 3ic8 n GLU 270 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ic8 s ALA 271 N -0.67 2.64 -0.12 0.62 0.00 -1.23 -4.14 121.76 118.87 3ic8 s ALA 271 Ca 0.58 0.63 0.03 0.00 0.00 0.00 0.00 51.96 53.19 3ic8 s ALA 271 Cb 0.22 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3ic8 s ALA 271 CO -0.11 -0.91 -0.22 0.08 0.00 0.00 0.00 175.76 174.61 3ic8 s VAL 272 N -2.12 2.20 0.03 0.00 1.01 0.14 -4.80 120.40 116.86 3ic8 s VAL 272 Ca 0.68 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3ic8 s VAL 272 Cb -0.20 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3ic8 s VAL 272 CO 0.33 0.55 0.04 -1.83 0.00 0.00 0.00 175.10 174.19 3ic8 s GLU 273 N 0.56 2.86 0.00 2.72 -1.05 -1.26 -0.59 118.70 121.94 3ic8 s GLU 273 Ca -0.13 -0.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 3ic8 s GLU 273 Cb -0.17 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 3ic8 s GLU 273 CO 0.04 0.61 0.00 0.41 0.95 0.00 0.00 175.26 177.27 3ic8 n GLY 274 N 1.00 -0.94 3.46 -3.83 0.00 -0.53 -4.76 105.19 99.58 3ic8 n GLY 274 Ca -0.12 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 3ic8 n GLY 274 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ic8 s GLU 275 N -0.91 3.64 0.91 1.61 2.12 -0.24 -1.56 118.70 124.27 3ic8 s GLU 275 Ca 0.00 -0.51 -0.12 0.00 0.36 0.00 0.00 54.97 54.70 3ic8 s GLU 275 Cb 0.00 -3.06 0.14 0.00 0.26 0.00 0.00 34.13 31.47 3ic8 s GLU 275 CO 0.00 0.05 1.09 -1.17 -0.54 0.00 0.00 175.26 174.70 3ic8 s LEU 276 N 0.89 2.18 0.33 2.70 1.98 -0.92 -0.81 118.68 125.03 3ic8 s LEU 276 Ca 0.01 1.47 -0.29 0.00 -2.89 0.00 0.00 54.13 52.43 3ic8 s LEU 276 Cb -0.14 -3.86 -0.12 0.00 0.66 0.00 0.00 46.19 42.73 3ic8 s LEU 276 CO 0.02 -2.72 1.40 0.33 -1.89 0.00 0.00 176.35 173.49 3ic8 n PHE 278 N -3.93 2.51 -4.78 5.38 7.35 -1.16 -1.11 117.46 121.71 3ic8 n PHE 278 Ca 0.07 0.47 -0.27 0.00 -0.76 0.00 0.00 57.45 56.96 3ic8 n PHE 278 Cb 0.55 -2.48 -0.17 0.00 0.35 0.00 0.00 39.48 37.74 3ic8 n PHE 278 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 3ic8 s THR 279 N -0.79 1.41 0.31 -2.13 -1.32 -1.26 -0.87 115.64 110.98 3ic8 s THR 279 Ca 0.58 -0.64 -0.03 0.00 -1.21 0.00 0.00 61.69 60.39 3ic8 s THR 279 Cb -0.55 -1.25 -0.01 0.00 -1.51 0.00 0.00 72.50 69.18 3ic8 s THR 279 CO 0.59 0.41 0.42 -0.83 -2.21 0.00 0.00 174.62 173.01 3ic8 s GLY 280 N 0.54 1.39 0.18 6.08 0.00 0.87 -4.63 107.32 111.75 3ic8 s GLY 280 Ca -0.15 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 42.99 3ic8 s GLY 280 CO 0.05 -1.01 1.74 3.21 0.00 0.00 0.00 173.10 177.09 3ic8 h ARG 281 N 2.19 0.96 0.00 2.90 3.08 -1.99 -3.19 114.38 118.33 3ic8 h ARG 281 Ca -0.28 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3ic8 h ARG 281 Cb 1.24 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3ic8 h ARG 281 CO 0.40 0.80 -0.86 0.39 -1.07 0.00 0.00 179.97 179.63 3ic8 n GLU 282 N -4.43 1.35 -3.84 0.04 -0.58 -1.26 -4.74 120.64 107.19 3ic8 n GLU 282 Ca 0.04 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 3ic8 n GLU 282 Cb 0.17 -1.31 -0.11 0.00 -0.57 0.00 0.00 31.44 29.63 3ic8 n GLU 282 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3ic8 s GLU 283 N -2.64 0.39 -0.06 3.49 2.12 -1.21 -3.88 118.70 116.92 3ic8 s GLU 283 Ca 0.06 -0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.31 3ic8 s GLU 283 Cb 0.13 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.68 3ic8 s GLU 283 CO 0.70 -0.08 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.62 3ic8 s LEU 284 N -0.79 1.97 -0.08 2.70 1.43 0.10 -0.09 118.68 123.92 3ic8 s LEU 284 Ca -0.09 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3ic8 s LEU 284 Cb -0.05 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 3ic8 s LEU 284 CO 0.01 0.17 -0.21 -0.63 0.23 0.00 0.00 176.35 175.93 3ic8 s ILE 285 N 0.08 2.43 -0.01 -0.59 1.01 -0.05 -1.04 121.20 123.02 3ic8 s ILE 285 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3ic8 s ILE 285 Cb -0.14 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3ic8 s ILE 285 CO 0.04 0.56 -0.11 -0.22 0.00 0.00 0.00 174.94 175.21 3ic8 s LEU 286 N 0.01 1.96 -0.19 2.97 0.20 -0.13 -3.01 118.68 120.50 3ic8 s LEU 286 Ca -0.07 -0.21 -0.09 0.00 0.69 0.00 0.00 54.13 54.45 3ic8 s LEU 286 Cb -0.15 -0.59 -0.05 0.00 -0.43 0.00 0.00 46.19 44.97 3ic8 s LEU 286 CO 0.05 0.12 0.11 -0.60 -0.29 0.00 0.00 176.35 175.74 3ic8 s ARG 287 N -0.14 4.04 0.05 1.98 3.52 0.01 0.06 118.95 128.47 3ic8 s ARG 287 Ca 0.02 -0.25 -0.05 0.00 -0.13 0.00 0.00 55.73 55.33 3ic8 s ARG 287 Cb -0.06 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3ic8 s ARG 287 CO -0.00 0.35 0.08 -0.98 -0.81 0.00 0.00 175.30 173.93 3ic8 s ARG 288 N 0.21 0.62 -0.15 5.12 1.70 -0.48 -1.08 118.95 124.88 3ic8 s ARG 288 Ca 0.07 -0.87 0.01 0.00 -0.47 0.00 0.00 55.73 54.47 3ic8 s ARG 288 Cb -0.11 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 3ic8 s ARG 288 CO -0.01 -0.15 -0.18 -2.00 -1.08 0.00 0.00 175.30 171.88 3ic8 s GLU 289 N -3.01 3.14 0.06 3.89 2.12 -1.26 -0.89 118.70 122.75 3ic8 s GLU 289 Ca -0.02 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.58 3ic8 s GLU 289 Cb 0.01 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 3ic8 s GLU 289 CO -0.06 0.01 -0.06 0.34 -0.54 0.00 0.00 175.26 174.94 3ic8 s ASP 290 N 0.80 4.64 0.10 -1.70 2.15 0.84 -4.92 116.67 118.58 3ic8 s ASP 290 Ca -0.06 -0.24 -0.20 0.00 0.43 0.00 0.00 52.55 52.48 3ic8 s ASP 290 Cb -0.15 -1.02 -0.08 0.00 -0.30 0.00 0.00 42.92 41.36 3ic8 s ASP 290 CO -0.00 0.22 1.65 0.78 -0.17 0.00 0.00 175.17 177.64 3ic8 h ASN 291 N 3.94 0.27 -0.03 -0.34 2.35 -1.92 -0.11 115.58 119.75 3ic8 h ASN 291 Ca -0.48 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.07 3ic8 h ASN 291 Cb 1.17 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.47 3ic8 h ASN 291 CO 0.55 0.34 -0.17 0.03 -1.65 0.00 0.00 177.43 176.53 3ic8 h ARG 292 N 0.18 0.17 0.00 0.81 3.08 -1.96 -3.40 114.38 113.26 3ic8 h ARG 292 Ca 0.07 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3ic8 h ARG 292 Cb 0.15 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ic8 h ARG 292 CO -0.01 0.81 -0.45 0.00 -1.07 0.00 0.00 179.97 179.25 3ic8 n ALA 293 N -2.48 3.04 0.00 0.04 0.00 -1.21 -4.82 120.51 115.09 3ic8 n ALA 293 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ic8 n ALA 293 Cb 0.43 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3ic8 n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ic8 n GLY 294 N 1.42 -0.94 3.72 0.00 0.00 -0.06 -3.11 105.19 106.23 3ic8 n GLY 294 Ca 0.05 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 3ic8 n GLY 294 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ic8 s VAL 295 N 0.00 4.55 0.01 1.61 1.01 -1.26 -0.11 120.40 126.21 3ic8 s VAL 295 Ca 0.00 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.97 3ic8 s VAL 295 Cb 0.00 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3ic8 s VAL 295 CO 0.00 0.25 0.00 -0.69 0.00 0.00 0.00 175.10 174.66 3ic8 s VAL 296 N 0.37 0.08 -0.15 2.92 1.01 -0.07 -4.76 120.40 119.80 3ic8 s VAL 296 Ca 0.49 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3ic8 s VAL 296 Cb -0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3ic8 s VAL 296 CO 0.30 -0.35 -0.07 -1.00 0.00 0.00 0.00 175.10 173.98 3ic8 s HIS 297 N -1.04 2.96 -0.13 5.22 3.76 -0.34 -1.39 115.29 124.33 3ic8 s HIS 297 Ca -0.11 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3ic8 s HIS 297 Cb -0.07 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 3ic8 s HIS 297 CO -0.00 -0.10 -0.16 0.08 -0.85 0.00 0.00 174.74 173.70 3ic8 s VAL 298 N 0.39 2.70 -0.13 -0.90 1.01 0.11 -1.22 120.40 122.35 3ic8 s VAL 298 Ca -0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3ic8 s VAL 298 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3ic8 s VAL 298 CO 0.04 0.53 -0.08 -1.00 0.00 0.00 0.00 175.10 174.59 3ic8 s HIS 299 N 0.46 2.93 0.05 5.22 3.76 0.05 -0.95 115.29 126.82 3ic8 s HIS 299 Ca -0.12 -0.34 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 3ic8 s HIS 299 Cb -0.16 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.63 3ic8 s HIS 299 CO 0.05 -0.02 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.72 3ic8 s PHE 300 N 0.11 1.25 0.63 1.40 0.08 -0.20 -2.52 117.98 118.72 3ic8 s PHE 300 Ca -0.03 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.50 3ic8 s PHE 300 Cb -0.14 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 3ic8 s PHE 300 CO 0.03 0.05 1.04 -1.25 -0.10 0.00 0.00 175.22 174.99 3ic8 s PRO 301 N -1.39 3.35 0.18 0.24 0.04 -1.26 0.00 135.00 136.16 3ic8 s PRO 301 Ca 0.00 0.95 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 3ic8 s PRO 301 Cb -0.09 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.49 3ic8 s PRO 301 CO 0.02 -0.77 1.72 0.00 0.04 0.00 0.00 177.00 178.00 3ic8 h ARG 302 N -0.12 0.95 -6.47 4.56 3.08 -1.85 -3.40 114.38 111.13 3ic8 h ARG 302 Ca -0.45 -0.19 -0.54 0.00 0.07 0.00 0.00 59.98 58.87 3ic8 h ARG 302 Cb 1.20 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.12 3ic8 h ARG 302 CO 0.59 0.82 0.75 -0.51 -1.07 0.00 0.00 179.97 180.55 3ic8 s LEU 303 N -9.69 4.35 0.00 3.04 1.43 -1.26 -3.00 118.68 113.56 3ic8 s LEU 303 Ca -0.13 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 3ic8 s LEU 303 Cb 0.13 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3ic8 s LEU 303 CO 0.81 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 177.34 3ic8 n GLY 304 N 3.52 0.68 3.12 -3.19 0.00 -1.26 -5.02 105.19 103.04 3ic8 n GLY 304 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3ic8 n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic8 s PHE 305 N -2.54 0.98 0.05 1.61 0.08 -1.16 -0.99 117.98 116.01 3ic8 s PHE 305 Ca 0.00 -0.48 0.09 0.00 0.12 0.00 0.00 56.93 56.66 3ic8 s PHE 305 Cb 0.00 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 3ic8 s PHE 305 CO 0.00 -0.00 -0.26 0.50 -0.10 0.00 0.00 175.22 175.35 3ic8 s ARG 306 N -1.69 1.78 -0.17 0.44 3.52 0.50 -4.85 118.95 118.49 3ic8 s ARG 306 Ca -0.05 -1.12 -0.02 0.00 -0.13 0.00 0.00 55.73 54.41 3ic8 s ARG 306 Cb -0.10 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.31 3ic8 s ARG 306 CO 0.01 0.51 -0.10 0.08 -0.81 0.00 0.00 175.30 174.99 3ic8 s VAL 307 N -0.81 3.12 -0.07 7.11 1.01 -1.26 -2.11 120.40 127.39 3ic8 s VAL 307 Ca 0.12 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3ic8 s VAL 307 Cb -0.10 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3ic8 s VAL 307 CO 0.02 0.49 -0.17 -1.61 0.00 0.00 0.00 175.10 173.83 3ic8 s GLU 308 N 0.82 2.68 0.51 2.72 2.02 -0.72 -5.00 118.70 121.74 3ic8 s GLU 308 Ca -0.03 -0.74 -0.21 0.00 0.02 0.00 0.00 54.97 54.00 3ic8 s GLU 308 Cb -0.15 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.64 3ic8 s GLU 308 CO 0.01 0.49 1.20 -1.59 0.02 0.00 0.00 175.26 175.39 3ic8 s LYS 309 N -0.39 3.44 0.00 1.61 0.00 -1.26 -1.47 119.74 121.67 3ic8 s LYS 309 Ca 0.04 1.84 0.00 0.00 0.00 0.00 0.00 55.97 57.85 3ic8 s LYS 309 Cb -0.12 -2.23 0.00 0.00 0.00 0.00 0.00 37.83 35.48 3ic8 s LYS 309 CO 0.02 -0.84 0.00 -2.13 0.00 0.00 0.00 175.35 172.40