#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic1 h LYS 2 N 0.00 0.87 -0.22 3.17 3.64 -1.94 -2.53 116.57 119.56 3ic1 h LYS 2 Ca 0.00 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 3ic1 h LYS 2 Cb 0.00 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3ic1 h LYS 2 CO 0.00 0.58 -0.59 1.49 -2.27 0.00 0.00 179.45 178.66 3ic1 h GLU 3 N 0.90 0.72 -0.47 1.90 4.81 -1.99 -0.47 114.58 119.98 3ic1 h GLU 3 Ca 0.45 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3ic1 h GLU 3 Cb 0.42 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3ic1 h GLU 3 CO -0.26 1.10 -0.03 0.87 -0.73 0.00 0.00 179.01 179.96 3ic1 h LYS 4 N 0.54 0.79 -0.04 1.92 1.57 -1.90 -0.42 116.57 119.04 3ic1 h LYS 4 Ca 0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3ic1 h LYS 4 Cb 1.17 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3ic1 h LYS 4 CO 0.12 0.82 -0.03 0.28 -0.57 0.00 0.00 179.45 180.07 3ic1 h VAL 5 N 0.73 1.35 -0.41 0.50 2.07 -1.24 -0.97 116.25 118.28 3ic1 h VAL 5 Ca 0.14 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3ic1 h VAL 5 Cb 0.49 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 3ic1 h VAL 5 CO 0.02 0.29 0.27 0.58 0.02 0.00 0.00 177.57 178.75 3ic1 h VAL 6 N -0.33 1.10 -0.15 2.57 2.07 -1.02 0.30 116.25 120.78 3ic1 h VAL 6 Ca 0.01 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3ic1 h VAL 6 Cb 0.48 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3ic1 h VAL 6 CO 0.01 0.10 0.08 -1.28 0.02 0.00 0.00 177.57 176.49 3ic1 h SER 7 N 0.55 0.19 -0.87 0.57 0.87 -1.04 -0.42 113.55 113.40 3ic1 h SER 7 Ca 0.15 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3ic1 h SER 7 Cb -0.05 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3ic1 h SER 7 CO -0.04 0.24 0.53 0.25 -0.53 0.00 0.00 176.83 177.28 3ic1 h LEU 8 N 0.13 1.04 -0.79 2.23 5.85 -0.89 -1.78 115.31 121.09 3ic1 h LEU 8 Ca 0.05 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3ic1 h LEU 8 Cb 0.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3ic1 h LEU 8 CO -0.01 0.79 0.42 0.00 -0.34 0.00 0.00 178.44 179.31 3ic1 h ALA 9 N 1.29 1.02 -0.52 1.25 0.00 -0.47 -1.69 119.26 120.14 3ic1 h ALA 9 Ca 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ic1 h ALA 9 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3ic1 h ALA 9 CO -0.06 0.54 0.21 1.96 0.00 0.00 0.00 179.25 181.90 3ic1 h GLN 10 N 1.11 0.77 -0.55 0.00 4.20 -0.68 0.05 115.11 120.02 3ic1 h GLN 10 Ca 0.28 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3ic1 h GLN 10 Cb 0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3ic1 h GLN 10 CO -0.04 0.68 0.34 -0.44 -0.67 0.00 0.00 178.83 178.70 3ic1 h ASP 11 N 0.69 0.64 -0.06 1.46 3.32 -0.87 -2.23 116.42 119.37 3ic1 h ASP 11 Ca 0.17 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 3ic1 h ASP 11 Cb 0.19 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.59 3ic1 h ASP 11 CO -0.01 0.48 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.25 3ic1 h LEU 12 N 0.74 0.68 -1.75 1.55 3.38 -1.07 -3.29 115.31 115.55 3ic1 h LEU 12 Ca 0.20 -0.70 0.06 0.00 0.09 0.00 0.00 57.88 57.53 3ic1 h LEU 12 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ic1 h LEU 12 CO -0.04 1.28 0.28 0.40 0.09 0.00 0.00 178.44 180.44 3ic1 h ILE 13 N 0.14 0.95 0.00 1.22 2.04 -0.56 -2.06 117.51 119.24 3ic1 h ILE 13 Ca -0.07 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3ic1 h ILE 13 Cb 1.33 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3ic1 h ILE 13 CO 0.13 0.06 -0.04 0.03 0.00 0.00 0.00 178.15 178.33 3ic1 h ARG 14 N 0.31 0.00 -6.16 2.37 3.08 -1.48 -3.42 114.38 109.08 3ic1 h ARG 14 Ca 0.18 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.65 3ic1 h ARG 14 Cb 0.33 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 3ic1 h ARG 14 CO -0.04 0.04 0.77 1.03 -1.07 0.00 0.00 179.97 180.70 3ic1 s ARG 15 N -3.49 4.12 -1.24 0.04 1.81 -0.78 -4.94 118.95 114.48 3ic1 s ARG 15 Ca 0.03 1.11 -0.11 0.00 -1.72 0.00 0.00 55.73 55.04 3ic1 s ARG 15 Cb 0.08 -3.70 -0.06 0.00 -0.45 0.00 0.00 34.95 30.81 3ic1 s ARG 15 CO 0.60 -0.78 2.40 -0.35 -0.68 0.00 0.00 175.30 176.50 3ic1 n PRO 16 N 6.59 2.71 -1.38 3.54 -0.04 -1.26 -4.84 135.00 140.31 3ic1 n PRO 16 Ca 0.11 -1.98 -0.39 0.00 -0.04 0.00 0.00 63.50 61.20 3ic1 n PRO 16 Cb 0.47 -2.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.11 3ic1 n PRO 16 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ic1 n SER 17 N 4.82 5.45 -4.73 3.54 3.41 -1.26 -4.91 113.62 119.94 3ic1 n SER 17 Ca 0.59 -2.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.12 3ic1 n SER 17 Cb 0.25 -1.47 -0.03 0.00 -0.26 0.00 0.00 64.21 62.70 3ic1 n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ic1 s ILE 18 N 3.14 3.28 0.26 -1.33 -1.09 -1.24 -1.38 121.20 122.84 3ic1 s ILE 18 Ca 0.55 0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 3ic1 s ILE 18 Cb 0.15 -3.63 -0.13 0.00 -1.58 0.00 0.00 42.46 37.27 3ic1 s ILE 18 CO -0.04 0.11 1.37 -1.20 -1.23 0.00 0.00 174.94 173.95 3ic1 n SER 19 N 3.23 2.71 -1.91 3.58 7.64 -1.13 -0.56 113.62 127.19 3ic1 n SER 19 Ca 0.08 1.16 0.05 0.00 1.01 0.00 0.00 58.87 61.17 3ic1 n SER 19 Cb 0.43 -1.43 0.39 0.00 -1.01 0.00 0.00 64.21 62.59 3ic1 n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3ic1 n PRO 20 N 1.70 4.76 -2.95 1.43 -0.04 -1.26 -5.00 135.00 133.64 3ic1 n PRO 20 Ca 0.10 -3.13 -0.43 0.00 -0.04 0.00 0.00 63.50 60.00 3ic1 n PRO 20 Cb 0.32 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.47 3ic1 n PRO 20 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3ic1 s ASN 21 N -0.79 6.39 0.51 3.54 3.84 0.28 -4.45 114.94 124.26 3ic1 s ASN 21 Ca 0.54 -0.18 0.22 0.00 0.21 0.00 0.00 52.86 53.65 3ic1 s ASN 21 Cb 0.42 -2.39 1.36 0.00 -0.55 0.00 0.00 41.25 40.09 3ic1 s ASN 21 CO 0.16 -0.96 2.10 -0.78 -2.79 0.00 0.00 177.10 174.83 3ic1 h ASP 22 N 9.03 0.00 -6.55 -4.21 3.58 -1.85 -3.30 116.42 113.12 3ic1 h ASP 22 Ca -0.25 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.68 3ic1 h ASP 22 Cb 1.08 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.01 3ic1 h ASP 22 CO 0.98 0.09 -0.81 -0.62 -2.88 0.00 0.00 179.24 176.00 3ic1 n GLU 23 N -4.08 -4.09 -0.97 0.28 -0.58 -1.26 -1.94 120.64 108.00 3ic1 n GLU 23 Ca -0.03 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 3ic1 n GLU 23 Cb 0.18 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 25.85 3ic1 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ic1 n GLY 24 N -1.56 0.66 0.14 0.62 0.00 -1.26 -4.86 105.19 98.93 3ic1 n GLY 24 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3ic1 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic1 h GLN 26 N 0.33 0.00 -0.25 0.00 4.20 -1.91 -2.38 115.11 115.09 3ic1 h GLN 26 Ca 0.12 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 3ic1 h GLN 26 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3ic1 h GLN 26 CO -0.08 0.42 -0.16 0.37 -0.67 0.00 0.00 178.83 178.72 3ic1 h GLN 27 N 0.00 0.55 0.00 1.46 5.75 -1.92 0.26 115.11 121.22 3ic1 h GLN 27 Ca -0.00 -0.26 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 3ic1 h GLN 27 Cb 0.90 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 3ic1 h GLN 27 CO 0.06 0.83 -0.29 -0.84 -2.65 0.00 0.00 178.83 175.94 3ic1 h ILE 28 N 0.27 1.18 -0.06 2.39 3.07 -1.17 -0.49 117.51 122.70 3ic1 h ILE 28 Ca 0.05 -0.99 -0.05 0.00 1.55 0.00 0.00 64.86 65.43 3ic1 h ILE 28 Cb 0.68 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 3ic1 h ILE 28 CO 0.04 0.28 -0.15 0.40 -1.05 0.00 0.00 178.15 177.67 3ic1 h ILE 29 N 0.00 1.43 -0.53 0.16 2.04 -1.07 -3.18 117.51 116.37 3ic1 h ILE 29 Ca -0.00 -1.51 0.06 0.00 1.00 0.00 0.00 64.86 64.40 3ic1 h ILE 29 Cb 0.51 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.82 3ic1 h ILE 29 CO 0.04 0.42 0.25 0.00 0.00 0.00 0.00 178.15 178.85 3ic1 h ALA 30 N 0.46 0.68 -0.07 1.87 0.00 0.15 -2.27 119.26 120.07 3ic1 h ALA 30 Ca -0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ic1 h ALA 30 Cb 0.76 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3ic1 h ALA 30 CO 0.03 -0.12 -0.32 0.93 0.00 0.00 0.00 179.25 179.77 3ic1 h GLU 31 N 0.47 -0.42 -0.53 0.00 5.08 -1.16 0.21 114.58 118.23 3ic1 h GLU 31 Ca 0.24 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3ic1 h GLU 31 Cb 0.19 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3ic1 h GLU 31 CO -0.19 -0.28 0.12 0.07 -1.00 0.00 0.00 179.01 177.72 3ic1 h ARG 32 N -0.43 0.86 -0.80 2.33 0.11 -1.47 -2.40 114.38 112.57 3ic1 h ARG 32 Ca 0.08 -0.21 -0.04 0.00 0.10 0.00 0.00 59.98 59.91 3ic1 h ARG 32 Cb 0.55 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.49 3ic1 h ARG 32 CO -0.31 0.82 0.36 -0.07 0.10 0.00 0.00 179.97 180.87 3ic1 h LEU 33 N 0.75 1.07 -1.60 0.08 3.38 -1.11 -2.29 115.31 115.58 3ic1 h LEU 33 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ic1 h LEU 33 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3ic1 h LEU 33 CO 0.00 0.92 0.21 -0.08 0.09 0.00 0.00 178.44 179.59 3ic1 h GLU 34 N 1.15 0.48 0.00 1.13 4.81 -0.39 -2.17 114.58 119.59 3ic1 h GLU 34 Ca 0.27 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3ic1 h GLU 34 Cb 0.15 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3ic1 h GLU 34 CO -0.03 0.34 -0.24 0.87 -0.73 0.00 0.00 179.01 179.22 3ic1 h LYS 35 N 0.49 0.00 0.00 1.92 1.57 -0.90 -3.40 116.57 116.25 3ic1 h LYS 35 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 3ic1 h LYS 35 Cb -0.01 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.34 3ic1 h LYS 35 CO -0.02 0.24 0.09 1.28 -0.57 0.00 0.00 179.45 180.47 3ic1 n LEU 36 N -3.76 0.00 -0.56 2.94 4.77 -0.83 -4.96 117.00 114.60 3ic1 n LEU 36 Ca -0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3ic1 n LEU 36 Cb 0.35 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3ic1 n LEU 36 CO 0.34 -0.75 0.27 0.61 -1.33 0.00 0.00 177.39 176.53 3ic1 n GLY 37 N 2.09 1.47 3.73 -0.72 0.00 -1.26 -4.93 105.19 105.58 3ic1 n GLY 37 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3ic1 n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic1 s PHE 38 N -0.87 3.50 -0.17 1.61 0.08 -1.13 -4.83 117.98 116.17 3ic1 s PHE 38 Ca 0.00 1.48 -0.29 0.00 0.12 0.00 0.00 56.93 58.24 3ic1 s PHE 38 Cb 0.00 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.08 3ic1 s PHE 38 CO 0.00 -0.96 1.22 -0.65 -0.10 0.00 0.00 175.22 174.73 3ic1 s GLN 39 N -0.14 4.24 -0.19 0.44 -1.52 -0.35 -4.47 119.66 117.68 3ic1 s GLN 39 Ca 0.52 1.61 -0.13 0.00 -1.95 0.00 0.00 55.36 55.41 3ic1 s GLN 39 Cb -0.31 -3.73 -0.05 0.00 -0.22 0.00 0.00 33.01 28.70 3ic1 s GLN 39 CO 0.35 -0.68 0.26 0.42 -0.25 0.00 0.00 175.29 175.39 3ic1 s ILE 40 N 3.37 5.32 -0.10 1.08 -1.09 -1.26 -2.06 121.20 126.45 3ic1 s ILE 40 Ca 0.53 0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 59.37 3ic1 s ILE 40 Cb -0.21 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.12 3ic1 s ILE 40 CO 0.13 0.37 0.02 -0.70 -1.23 0.00 0.00 174.94 173.53 3ic1 s GLU 41 N 0.69 0.55 0.24 2.79 2.12 -0.02 -5.01 118.70 120.06 3ic1 s GLU 41 Ca 0.14 -0.01 -0.26 0.00 0.36 0.00 0.00 54.97 55.19 3ic1 s GLU 41 Cb -0.13 -1.27 -0.09 0.00 0.26 0.00 0.00 34.13 32.90 3ic1 s GLU 41 CO 0.03 -0.41 0.87 -1.58 -0.54 0.00 0.00 175.26 173.63 3ic1 s TRP 42 N 1.97 3.84 -0.43 5.30 0.52 -1.26 -1.24 118.94 127.63 3ic1 s TRP 42 Ca 0.03 1.73 0.10 0.00 0.02 0.00 0.00 56.10 57.98 3ic1 s TRP 42 Cb -0.14 -2.85 0.35 0.00 -1.15 0.00 0.00 33.47 29.68 3ic1 s TRP 42 CO -0.06 0.39 0.79 -1.33 0.02 0.00 0.00 176.95 176.76 3ic1 n MET 43 N 1.15 1.59 -1.82 4.98 2.81 -1.05 -4.95 117.12 119.83 3ic1 n MET 43 Ca -0.02 -3.79 -0.37 0.00 -1.81 0.00 0.00 57.70 51.72 3ic1 n MET 43 Cb 0.49 -1.85 0.06 0.00 -0.71 0.00 0.00 33.22 31.20 3ic1 n MET 43 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ic1 s PRO 44 N -2.71 2.69 -0.11 0.03 0.04 -1.26 -3.74 135.00 129.94 3ic1 s PRO 44 Ca 0.42 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 3ic1 s PRO 44 Cb 0.33 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 33.04 3ic1 s PRO 44 CO -0.10 -1.48 0.25 0.12 0.04 0.00 0.00 177.00 175.84 3ic1 s PHE 45 N -1.44 -0.34 0.00 0.56 5.36 -0.64 -4.92 117.98 116.56 3ic1 s PHE 45 Ca 0.81 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 3ic1 s PHE 45 Cb -0.36 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.36 3ic1 s PHE 45 CO 0.38 -0.25 0.00 0.09 -1.46 0.00 0.00 175.22 173.98 3ic1 n ASN 46 N 4.36 0.00 -1.06 6.13 3.02 -1.26 -1.46 115.26 124.98 3ic1 n ASN 46 Ca -0.23 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.42 3ic1 n ASN 46 Cb 0.53 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.96 3ic1 n ASN 46 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ic1 n ASP 47 N 7.10 3.10 -4.43 6.41 8.00 -1.26 -4.92 116.55 130.55 3ic1 n ASP 47 Ca 0.00 -1.98 -0.32 0.00 0.71 0.00 0.00 54.79 53.20 3ic1 n ASP 47 Cb 0.00 -0.36 -0.14 0.00 -0.02 0.00 0.00 41.12 40.60 3ic1 n ASP 47 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ic1 s THR 48 N -1.28 2.77 -0.33 -3.53 2.01 -0.54 -4.51 115.64 110.23 3ic1 s THR 48 Ca 0.39 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 3ic1 s THR 48 Cb 0.21 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.69 3ic1 s THR 48 CO 0.27 0.59 0.11 -0.22 -0.69 0.00 0.00 174.62 174.68 3ic1 s LEU 49 N -0.67 4.26 0.24 4.42 2.96 -1.26 -1.62 118.68 127.00 3ic1 s LEU 49 Ca 0.10 -1.05 0.01 0.00 -0.22 0.00 0.00 54.13 52.97 3ic1 s LEU 49 Cb -0.11 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3ic1 s LEU 49 CO 0.00 -0.31 0.42 0.20 -1.32 0.00 0.00 176.35 175.34 3ic1 s ASN 50 N 1.43 6.35 -0.13 3.68 0.01 -1.25 -2.71 114.94 122.33 3ic1 s ASN 50 Ca -0.01 0.35 -0.04 0.00 -0.71 0.00 0.00 52.86 52.45 3ic1 s ASN 50 Cb -0.19 -1.99 0.06 0.00 0.41 0.00 0.00 41.25 39.55 3ic1 s ASN 50 CO 0.03 -0.10 0.20 -0.22 -1.51 0.00 0.00 177.10 175.50 3ic1 s LEU 51 N -3.64 -0.11 -0.24 0.60 2.96 0.16 -2.54 118.68 115.86 3ic1 s LEU 51 Ca 0.38 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3ic1 s LEU 51 Cb -0.10 0.37 0.04 0.00 0.50 0.00 0.00 46.19 46.99 3ic1 s LEU 51 CO 0.30 -0.27 -0.11 0.86 -1.32 0.00 0.00 176.35 175.81 3ic1 s TRP 52 N 2.32 3.09 -0.04 5.38 -0.11 -0.37 -1.49 118.94 127.71 3ic1 s TRP 52 Ca 0.04 -1.90 0.04 0.00 1.22 0.00 0.00 56.10 55.50 3ic1 s TRP 52 Cb -0.13 -1.98 -0.00 0.00 -1.50 0.00 0.00 33.47 29.86 3ic1 s TRP 52 CO -0.08 -0.81 -0.18 0.00 -4.62 0.00 0.00 176.95 171.26 3ic1 s ALA 53 N 1.22 1.57 0.03 5.86 0.00 -0.64 -0.84 121.76 128.97 3ic1 s ALA 53 Ca -0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 3ic1 s ALA 53 Cb -0.17 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3ic1 s ALA 53 CO -0.07 0.29 0.02 -1.59 0.00 0.00 0.00 175.76 174.41 3ic1 s LYS 54 N 0.03 0.50 -0.11 0.00 -2.85 -0.88 0.07 119.74 116.49 3ic1 s LYS 54 Ca -0.04 -0.82 -0.00 0.00 -1.00 0.00 0.00 55.97 54.10 3ic1 s LYS 54 Cb -0.12 0.18 0.02 0.00 -2.06 0.00 0.00 37.83 35.86 3ic1 s LYS 54 CO 0.02 -0.10 -0.08 -1.58 0.10 0.00 0.00 175.35 173.71 3ic1 s HIS 55 N -2.55 1.55 0.00 1.78 2.46 0.00 -1.22 115.29 117.32 3ic1 s HIS 55 Ca -0.06 -0.78 0.00 0.00 0.47 0.00 0.00 55.06 54.70 3ic1 s HIS 55 Cb -0.02 -1.26 0.00 0.00 -0.13 0.00 0.00 32.58 31.17 3ic1 s HIS 55 CO -0.05 -0.52 0.00 0.41 -2.47 0.00 0.00 174.74 172.11 3ic1 n GLY 56 N 4.88 1.60 0.00 1.59 0.00 -1.26 -1.10 105.19 110.90 3ic1 n GLY 56 Ca -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.72 3ic1 n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ic1 n THR 57 N -0.27 0.00 -1.66 2.61 -2.24 -1.26 -4.85 114.28 106.62 3ic1 n THR 57 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3ic1 n THR 57 Cb 0.00 -0.36 0.06 0.00 -2.10 0.00 0.00 70.33 67.93 3ic1 n THR 57 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ic1 s SER 58 N -2.91 4.90 0.77 3.42 1.04 -1.26 -4.86 113.70 114.80 3ic1 s SER 58 Ca 0.00 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.36 3ic1 s SER 58 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.62 3ic1 s SER 58 CO 0.00 -1.77 1.08 -1.61 0.98 0.00 0.00 173.24 171.92 3ic1 s GLU 59 N -4.13 2.31 0.39 4.02 2.02 -1.26 -2.18 118.70 119.86 3ic1 s GLU 59 Ca 0.68 0.84 -0.27 0.00 0.02 0.00 0.00 54.97 56.24 3ic1 s GLU 59 Cb -0.21 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 3ic1 s GLU 59 CO 0.43 -1.51 1.34 -1.25 0.02 0.00 0.00 175.26 174.29 3ic1 s PRO 60 N -5.06 4.04 -0.23 0.39 0.04 -1.26 -3.84 135.00 129.08 3ic1 s PRO 60 Ca 0.60 2.25 -0.17 0.00 0.04 0.00 0.00 61.00 63.72 3ic1 s PRO 60 Cb -0.15 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 3ic1 s PRO 60 CO 0.55 -0.47 0.45 0.08 0.04 0.00 0.00 177.00 177.65 3ic1 s VAL 61 N -1.21 5.14 -0.38 -0.36 1.01 -1.26 -0.19 120.40 123.15 3ic1 s VAL 61 Ca 0.55 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 3ic1 s VAL 61 Cb -0.40 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.29 3ic1 s VAL 61 CO 0.52 0.17 0.16 -0.63 0.00 0.00 0.00 175.10 175.33 3ic1 s ILE 62 N 1.81 3.51 -0.20 2.22 1.01 0.12 -1.31 121.20 128.36 3ic1 s ILE 62 Ca 0.20 -1.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.03 3ic1 s ILE 62 Cb -0.15 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3ic1 s ILE 62 CO 0.09 -0.46 0.44 0.00 0.00 0.00 0.00 174.94 175.00 3ic1 s ALA 63 N 1.26 3.55 -0.03 9.38 0.00 -0.36 -0.50 121.76 135.07 3ic1 s ALA 63 Ca 0.03 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 3ic1 s ALA 63 Cb -0.22 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3ic1 s ALA 63 CO -0.01 -0.36 0.70 -0.06 0.00 0.00 0.00 175.76 176.03 3ic1 s PHE 64 N 1.45 3.64 -0.02 0.00 0.08 0.62 -1.50 117.98 122.24 3ic1 s PHE 64 Ca 0.21 1.30 0.04 0.00 0.12 0.00 0.00 56.93 58.60 3ic1 s PHE 64 Cb -0.15 -2.78 -0.01 0.00 -0.57 0.00 0.00 43.02 39.51 3ic1 s PHE 64 CO 0.09 0.18 -0.14 0.00 -0.10 0.00 0.00 175.22 175.24 3ic1 s ALA 65 N 0.42 1.20 0.03 5.36 0.00 -0.52 0.46 121.76 128.72 3ic1 s ALA 65 Ca 0.37 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 3ic1 s ALA 65 Cb -0.18 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.63 3ic1 s ALA 65 CO 0.19 0.27 0.44 0.41 0.00 0.00 0.00 175.76 177.07 3ic1 n GLY 66 N 2.86 0.77 3.12 0.00 0.00 -0.89 -0.89 105.19 110.16 3ic1 n GLY 66 Ca -0.15 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 3ic1 n GLY 66 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ic1 s HIS 67 N -3.65 0.94 -1.03 1.61 -3.43 -1.26 -2.08 115.29 106.39 3ic1 s HIS 67 Ca 0.10 -0.50 0.22 0.00 -0.80 0.00 0.00 55.06 54.08 3ic1 s HIS 67 Cb -0.01 -0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 30.54 3ic1 s HIS 67 CO 0.01 -0.02 1.01 0.25 -2.00 0.00 0.00 174.74 174.00 3ic1 n THR 68 N 1.28 0.00 -2.18 -5.38 -2.24 0.88 -4.54 114.28 102.10 3ic1 n THR 68 Ca -0.21 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 3ic1 n THR 68 Cb 0.55 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3ic1 n THR 68 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ic1 s ASP 69 N -2.98 6.25 0.05 3.42 -4.77 -1.26 -4.75 116.67 112.64 3ic1 s ASP 69 Ca 0.09 1.23 0.01 0.00 -3.30 0.00 0.00 52.55 50.58 3ic1 s ASP 69 Cb 0.16 -2.38 -0.03 0.00 -1.09 0.00 0.00 42.92 39.58 3ic1 s ASP 69 CO 0.82 -0.75 -0.05 0.68 0.70 0.00 0.00 175.17 176.58 3ic1 s VAL 70 N -2.99 0.40 0.68 2.11 -7.23 -0.48 -4.67 120.40 108.22 3ic1 s VAL 70 Ca 0.52 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 3ic1 s VAL 70 Cb -0.11 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 3ic1 s VAL 70 CO 0.50 -0.67 1.05 0.68 -0.31 0.00 0.00 175.10 176.35 3ic1 s VAL 71 N -2.52 4.20 0.85 1.32 -7.23 -1.26 -2.82 120.40 112.95 3ic1 s VAL 71 Ca -0.02 0.71 -0.13 0.00 -1.81 0.00 0.00 61.98 60.73 3ic1 s VAL 71 Cb -0.02 -3.55 0.08 0.00 0.56 0.00 0.00 36.38 33.45 3ic1 s VAL 71 CO -0.04 -0.93 0.99 -2.65 -0.31 0.00 0.00 175.10 172.16 3ic1 n PRO 72 N -3.01 -0.06 0.08 4.82 -0.02 -1.26 -4.93 135.00 130.61 3ic1 n PRO 72 Ca 0.07 0.05 -0.05 0.00 -2.02 0.00 0.00 63.50 61.56 3ic1 n PRO 72 Cb 0.54 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 3ic1 n PRO 72 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ic1 h THR 73 N -1.24 1.48 0.00 3.45 1.35 -1.99 -3.49 112.91 112.47 3ic1 h THR 73 Ca -0.45 -3.10 0.00 0.00 -0.55 0.00 0.00 66.41 62.31 3ic1 h THR 73 Cb 1.29 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 3ic1 h THR 73 CO 0.42 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 177.14 3ic1 n GLY 74 N 1.32 -1.74 3.67 5.82 0.00 -1.26 -4.77 105.19 108.23 3ic1 n GLY 74 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 3ic1 n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ic1 s ASP 75 N -4.00 6.95 0.00 1.61 2.15 -1.26 -4.87 116.67 117.25 3ic1 s ASP 75 Ca 0.00 1.81 0.12 0.00 0.43 0.00 0.00 52.55 54.91 3ic1 s ASP 75 Cb 0.00 -2.55 0.67 0.00 -0.30 0.00 0.00 42.92 40.74 3ic1 s ASP 75 CO 0.00 -0.71 1.19 -0.62 -0.17 0.00 0.00 175.17 174.87 3ic1 n GLU 76 N 6.03 0.30 0.05 4.34 1.02 -1.26 -1.93 120.64 129.18 3ic1 n GLU 76 Ca 0.13 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.30 3ic1 n GLU 76 Cb 0.45 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.58 3ic1 n GLU 76 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3ic1 h ASN 77 N 0.00 0.39 0.48 1.62 2.35 -1.99 -3.27 115.58 115.16 3ic1 h ASN 77 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3ic1 h ASN 77 Cb 0.04 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3ic1 h ASN 77 CO 0.00 0.70 -0.21 0.00 -1.65 0.00 0.00 177.43 176.28 3ic1 n GLN 78 N -4.08 0.43 -2.88 0.81 6.02 -0.81 -4.82 117.38 112.06 3ic1 n GLN 78 Ca -0.01 -0.18 -0.40 0.00 -0.01 0.00 0.00 57.00 56.40 3ic1 n GLN 78 Cb 0.44 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 3ic1 n GLN 78 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3ic1 s TRP 79 N -2.69 3.87 -2.25 1.08 0.52 -1.24 -4.79 118.94 113.44 3ic1 s TRP 79 Ca 0.21 1.69 0.20 0.00 0.02 0.00 0.00 56.10 58.23 3ic1 s TRP 79 Cb 0.19 -2.88 0.72 0.00 -1.15 0.00 0.00 33.47 30.34 3ic1 s TRP 79 CO 0.54 0.38 1.53 -1.13 0.02 0.00 0.00 176.95 178.29 3ic1 n SER 80 N 2.11 1.69 -3.66 2.95 3.41 -1.26 -4.70 113.62 114.15 3ic1 n SER 80 Ca -0.02 -1.73 -0.06 0.00 -0.26 0.00 0.00 58.87 56.79 3ic1 n SER 80 Cb 0.49 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3ic1 n SER 80 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ic1 s SER 81 N -1.52 -0.83 0.26 4.04 0.15 -1.26 -5.14 113.70 109.39 3ic1 s SER 81 Ca 0.32 1.34 -0.29 0.00 0.70 0.00 0.00 55.95 58.02 3ic1 s SER 81 Cb 0.17 1.49 -0.14 0.00 -1.71 0.00 0.00 66.02 65.82 3ic1 s SER 81 CO 0.25 -0.22 1.09 -2.65 1.20 0.00 0.00 173.24 172.91 3ic1 n PRO 82 N 4.72 1.39 0.28 5.44 -0.02 -1.26 -4.81 135.00 140.74 3ic1 n PRO 82 Ca -0.17 0.49 0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3ic1 n PRO 82 Cb 0.55 -1.92 1.01 0.00 -0.02 0.00 0.00 33.50 33.11 3ic1 n PRO 82 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3ic1 h PRO 83 N 2.53 0.00 -0.01 0.52 0.13 -1.94 -0.74 132.00 132.49 3ic1 h PRO 83 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3ic1 h PRO 83 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3ic1 h PRO 83 CO 0.64 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.60 3ic1 n PHE 84 N -2.81 0.02 0.19 1.56 3.72 -1.26 -1.12 117.46 117.76 3ic1 n PHE 84 Ca -0.02 -0.69 0.12 0.00 -0.05 0.00 0.00 57.45 56.80 3ic1 n PHE 84 Cb 0.07 -0.09 0.13 0.00 -0.94 0.00 0.00 39.48 38.65 3ic1 n PHE 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ic1 h SER 85 N 0.06 0.00 -5.95 4.37 4.64 -1.42 -3.35 113.55 111.90 3ic1 h SER 85 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 3ic1 h SER 85 Cb 0.70 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.89 3ic1 h SER 85 CO 0.00 0.01 -0.71 0.00 -0.87 0.00 0.00 176.83 175.26 3ic1 n ALA 86 N -2.12 -1.39 -1.79 5.18 0.00 -1.22 -4.95 120.51 114.22 3ic1 n ALA 86 Ca 0.03 0.30 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 3ic1 n ALA 86 Cb 0.54 -4.91 -0.06 0.00 0.00 0.00 0.00 19.45 15.02 3ic1 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ic1 s GLU 87 N -6.30 4.70 -0.22 0.00 0.41 -1.21 -4.77 118.70 111.31 3ic1 s GLU 87 Ca 0.54 1.38 -0.12 0.00 -0.41 0.00 0.00 54.97 56.36 3ic1 s GLU 87 Cb -0.25 -3.06 -0.05 0.00 -1.78 0.00 0.00 34.13 29.00 3ic1 s GLU 87 CO 0.76 0.42 0.21 0.42 -0.49 0.00 0.00 175.26 176.57 3ic1 s ILE 88 N -1.38 5.33 -0.08 -1.63 1.01 -1.26 -1.00 121.20 122.19 3ic1 s ILE 88 Ca 0.45 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 3ic1 s ILE 88 Cb -0.22 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.74 3ic1 s ILE 88 CO 0.28 0.35 0.06 -0.63 0.00 0.00 0.00 174.94 175.00 3ic1 s ILE 89 N 0.95 -0.06 -1.39 2.92 1.01 0.25 -4.87 121.20 120.02 3ic1 s ILE 89 Ca 0.10 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 3ic1 s ILE 89 Cb -0.13 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.03 3ic1 s ILE 89 CO 0.04 0.04 0.57 -0.67 0.00 0.00 0.00 174.94 174.92 3ic1 n ASP 90 N 5.28 -1.01 0.00 3.58 2.03 -1.26 -1.56 116.55 123.61 3ic1 n ASP 90 Ca -0.05 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.34 3ic1 n ASP 90 Cb 0.50 -3.45 0.00 0.00 -0.72 0.00 0.00 41.12 37.44 3ic1 n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ic1 n GLY 91 N -1.79 0.87 3.57 0.27 0.00 -1.26 -5.03 105.19 101.83 3ic1 n GLY 91 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3ic1 n GLY 91 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ic1 s MET 92 N -0.12 3.46 -0.25 1.61 -1.94 -0.60 -2.38 119.30 119.08 3ic1 s MET 92 Ca 0.00 -0.47 -0.24 0.00 -1.71 0.00 0.00 55.69 53.28 3ic1 s MET 92 Cb 0.00 -2.90 -0.01 0.00 2.01 0.00 0.00 34.83 33.94 3ic1 s MET 92 CO 0.00 0.40 0.80 -1.17 -0.01 0.00 0.00 175.02 175.04 3ic1 s LEU 93 N -0.07 4.08 -0.12 -0.03 2.96 0.76 -0.58 118.68 125.68 3ic1 s LEU 93 Ca 0.03 0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 54.83 3ic1 s LEU 93 Cb -0.13 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3ic1 s LEU 93 CO 0.02 -0.51 0.11 -0.31 -1.32 0.00 0.00 176.35 174.34 3ic1 s TYR 94 N 2.81 3.49 0.00 5.38 2.02 -0.17 -0.96 117.35 129.92 3ic1 s TYR 94 Ca 0.33 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.48 3ic1 s TYR 94 Cb -0.15 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 3ic1 s TYR 94 CO 0.08 0.66 0.00 0.41 -1.57 0.00 0.00 175.55 175.13 3ic1 n GLY 95 N 2.09 3.43 3.65 0.71 0.00 -0.13 -3.31 105.19 111.62 3ic1 n GLY 95 Ca -0.20 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 3ic1 n GLY 95 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ic1 s ARG 96 N -2.08 4.00 0.00 1.61 6.06 -0.28 -2.43 118.95 125.83 3ic1 s ARG 96 Ca 0.00 2.12 0.00 0.00 -2.50 0.00 0.00 55.73 55.35 3ic1 s ARG 96 Cb 0.00 -4.06 0.00 0.00 0.06 0.00 0.00 34.95 30.95 3ic1 s ARG 96 CO 0.00 -1.08 0.00 0.41 -2.50 0.00 0.00 175.30 172.13 3ic1 n GLY 97 N 4.46 0.55 0.28 8.12 0.00 -1.26 -4.85 105.19 112.49 3ic1 n GLY 97 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3ic1 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic1 h ALA 98 N 0.00 -0.32 0.16 4.61 0.00 -1.79 0.32 119.26 122.25 3ic1 h ALA 98 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 3ic1 h ALA 98 Cb 0.00 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ic1 h ALA 98 CO 0.00 -0.74 -1.51 0.00 0.00 0.00 0.00 179.25 177.00 3ic1 h ALA 99 N 0.48 0.10 -2.97 0.00 0.00 -1.81 -2.24 119.26 112.82 3ic1 h ALA 99 Ca 0.07 -1.05 -0.61 0.00 0.00 0.00 0.00 54.91 53.32 3ic1 h ALA 99 Cb 0.46 0.40 -0.40 0.00 0.00 0.00 0.00 17.79 18.26 3ic1 h ALA 99 CO -0.23 0.85 -0.74 0.34 0.00 0.00 0.00 179.25 179.47 3ic1 s ASP 100 N -7.20 3.62 -0.05 0.00 3.68 -1.23 -4.44 116.67 111.05 3ic1 s ASP 100 Ca -0.16 -2.61 0.21 0.00 2.13 0.00 0.00 52.55 52.11 3ic1 s ASP 100 Cb 0.04 -1.01 0.37 0.00 -1.45 0.00 0.00 42.92 40.87 3ic1 s ASP 100 CO 0.83 -0.27 1.15 1.15 0.13 0.00 0.00 175.17 178.16 3ic1 n MET 101 N 3.56 0.32 -0.02 4.34 0.00 -1.21 -4.25 117.12 119.85 3ic1 n MET 101 Ca 0.09 -2.05 0.02 0.00 0.00 0.00 0.00 57.70 55.76 3ic1 n MET 101 Cb 0.35 -0.16 0.36 0.00 0.00 0.00 0.00 33.22 33.77 3ic1 n MET 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3ic1 h LYS 102 N 1.09 0.58 0.14 3.17 1.57 -0.52 0.27 116.57 122.87 3ic1 h LYS 102 Ca -0.28 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3ic1 h LYS 102 Cb 1.70 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 3ic1 h LYS 102 CO 0.04 0.47 -0.13 0.78 -0.57 0.00 0.00 179.45 180.04 3ic1 h GLY 103 N 0.71 -0.28 2.00 3.86 0.00 -1.38 -0.54 103.07 107.44 3ic1 h GLY 103 Ca 0.14 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 3ic1 h GLY 103 CO -0.02 -0.13 -0.35 1.48 0.00 0.00 0.00 176.54 177.52 3ic1 h SER 104 N -0.29 0.00 -0.44 0.19 4.64 -1.64 -1.91 113.55 114.10 3ic1 h SER 104 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3ic1 h SER 104 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3ic1 h SER 104 CO -0.03 0.35 0.21 0.25 -0.87 0.00 0.00 176.83 176.75 3ic1 h LEU 105 N 0.00 0.57 -0.45 5.97 5.85 -0.23 -1.79 115.31 125.23 3ic1 h LEU 105 Ca -0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3ic1 h LEU 105 Cb 1.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3ic1 h LEU 105 CO 0.05 0.54 0.17 0.00 -0.34 0.00 0.00 178.44 178.86 3ic1 h ALA 106 N 1.06 0.58 -0.46 1.25 0.00 -0.65 -1.68 119.26 119.35 3ic1 h ALA 106 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ic1 h ALA 106 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ic1 h ALA 106 CO -0.02 0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.72 3ic1 h ALA 107 N 1.02 0.59 -0.60 0.00 0.00 -1.25 -0.59 119.26 118.42 3ic1 h ALA 107 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ic1 h ALA 107 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ic1 h ALA 107 CO -0.01 0.07 0.10 0.52 0.00 0.00 0.00 179.25 179.93 3ic1 h MET 108 N 0.62 1.00 0.32 0.00 2.07 -1.18 -1.77 114.93 115.98 3ic1 h MET 108 Ca 0.17 -0.26 -0.00 0.00 -2.07 0.00 0.00 59.70 57.53 3ic1 h MET 108 Cb -0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 3ic1 h MET 108 CO -0.03 0.93 -0.28 0.82 1.07 0.00 0.00 176.91 179.42 3ic1 h ILE 109 N 0.90 0.41 -0.63 -1.22 2.04 -1.01 -1.11 117.51 116.89 3ic1 h ILE 109 Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 3ic1 h ILE 109 Cb 0.42 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3ic1 h ILE 109 CO 0.01 0.00 0.42 0.58 0.00 0.00 0.00 178.15 179.16 3ic1 h VAL 110 N -0.61 1.10 -0.35 1.67 2.07 -1.08 -1.35 116.25 117.70 3ic1 h VAL 110 Ca -0.02 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3ic1 h VAL 110 Cb 0.55 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3ic1 h VAL 110 CO -0.04 0.14 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 3ic1 h ALA 111 N 1.63 0.47 -0.61 1.67 0.00 -1.16 -0.64 119.26 120.63 3ic1 h ALA 111 Ca 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ic1 h ALA 111 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ic1 h ALA 111 CO -0.06 0.26 0.28 0.00 0.00 0.00 0.00 179.25 179.72 3ic1 h ALA 112 N 0.85 0.79 -0.06 0.00 0.00 -0.72 -1.91 119.26 118.20 3ic1 h ALA 112 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ic1 h ALA 112 Cb 0.49 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ic1 h ALA 112 CO 0.02 0.36 0.02 0.93 0.00 0.00 0.00 179.25 180.59 3ic1 h GLU 113 N 0.84 0.09 -0.78 0.00 5.08 -1.16 -1.86 114.58 116.78 3ic1 h GLU 113 Ca 0.21 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3ic1 h GLU 113 Cb 0.14 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3ic1 h GLU 113 CO -0.02 0.23 0.42 0.93 -1.00 0.00 0.00 179.01 179.57 3ic1 h GLU 114 N -0.06 1.09 -0.56 2.33 5.08 -1.00 0.11 114.58 121.56 3ic1 h GLU 114 Ca 0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3ic1 h GLU 114 Cb 0.17 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3ic1 h GLU 114 CO -0.00 0.82 0.27 -0.92 -1.00 0.00 0.00 179.01 178.18 3ic1 h TYR 115 N 1.09 0.80 -0.20 4.33 3.20 -1.32 -2.40 116.97 122.46 3ic1 h TYR 115 Ca 0.27 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 3ic1 h TYR 115 Cb 0.04 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 3ic1 h TYR 115 CO 0.00 0.61 -0.08 0.28 -1.64 0.00 0.00 178.16 177.33 3ic1 h VAL 116 N 0.75 1.30 -0.37 1.81 2.07 -0.40 -0.66 116.25 120.75 3ic1 h VAL 116 Ca 0.19 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.68 3ic1 h VAL 116 Cb 0.11 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3ic1 h VAL 116 CO -0.03 0.34 -0.09 0.11 0.02 0.00 0.00 177.57 177.92 3ic1 h LYS 117 N 0.12 0.00 0.00 1.57 1.57 -0.87 -2.21 116.57 116.75 3ic1 h LYS 117 Ca 0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3ic1 h LYS 117 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3ic1 h LYS 117 CO 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.91 3ic1 n ALA 118 N -2.65 1.99 -2.98 3.86 0.00 -0.91 -4.18 120.51 115.66 3ic1 n ALA 118 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3ic1 n ALA 118 Cb 0.20 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3ic1 n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ic1 n ASN 119 N -2.19 0.75 -0.37 0.00 3.02 -0.27 -4.98 115.26 111.22 3ic1 n ASN 119 Ca 0.04 -2.94 0.34 0.00 -0.03 0.00 0.00 54.58 51.99 3ic1 n ASN 119 Cb 0.33 -0.39 0.69 0.00 -0.61 0.00 0.00 39.78 39.80 3ic1 n ASN 119 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3ic1 h PRO 120 N 2.97 0.10 -0.66 3.52 0.11 -1.59 0.66 132.00 137.11 3ic1 h PRO 120 Ca 0.01 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.93 3ic1 h PRO 120 Cb 1.05 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.03 3ic1 h PRO 120 CO 0.46 0.07 0.22 0.09 -0.21 0.00 0.00 178.00 178.62 3ic1 n ASN 121 N -4.32 4.57 -4.59 -2.05 3.02 -1.26 -5.01 115.26 105.63 3ic1 n ASN 121 Ca 0.28 -3.25 -0.38 0.00 -0.03 0.00 0.00 54.58 51.20 3ic1 n ASN 121 Cb 1.24 -0.72 0.05 0.00 -0.61 0.00 0.00 39.78 39.74 3ic1 n ASN 121 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ic1 n HIS 122 N -0.27 0.62 -1.51 3.10 1.44 0.22 -4.98 115.22 113.84 3ic1 n HIS 122 Ca 0.38 0.45 -0.30 0.00 -2.01 0.00 0.00 57.72 56.25 3ic1 n HIS 122 Cb 1.31 -2.12 0.10 0.00 0.12 0.00 0.00 29.99 29.41 3ic1 n HIS 122 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3ic1 s LYS 123 N -2.56 1.88 1.14 -1.40 1.02 -1.26 -4.93 119.74 113.63 3ic1 s LYS 123 Ca 0.73 0.61 0.00 0.00 0.02 0.00 0.00 55.97 57.34 3ic1 s LYS 123 Cb -0.44 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3ic1 s LYS 123 CO 0.49 -1.76 0.00 0.41 -0.92 0.00 0.00 175.35 173.58 3ic1 n GLY 124 N -2.01 -1.74 3.02 -3.33 0.00 -1.25 -4.82 105.19 95.06 3ic1 n GLY 124 Ca 0.07 -1.29 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 3ic1 n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ic1 s THR 125 N -0.29 1.22 -0.24 2.61 2.01 0.73 -3.99 115.64 117.69 3ic1 s THR 125 Ca 0.00 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 3ic1 s THR 125 Cb 0.00 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 3ic1 s THR 125 CO 0.00 0.38 0.33 -0.63 -0.69 0.00 0.00 174.62 174.01 3ic1 s ILE 126 N 0.88 5.22 0.16 1.82 1.01 -0.26 0.13 121.20 130.17 3ic1 s ILE 126 Ca -0.10 0.52 0.10 0.00 0.00 0.00 0.00 60.65 61.17 3ic1 s ILE 126 Cb -0.15 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 3ic1 s ILE 126 CO 0.01 0.23 -0.21 0.00 0.00 0.00 0.00 174.94 174.97 3ic1 s ALA 127 N 1.60 2.21 -0.07 9.38 0.00 0.34 -0.82 121.76 134.40 3ic1 s ALA 127 Ca 0.15 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.64 3ic1 s ALA 127 Cb -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3ic1 s ALA 127 CO 0.08 0.35 -0.22 -0.51 0.00 0.00 0.00 175.76 175.46 3ic1 s LEU 128 N -2.52 2.22 -0.30 0.00 1.43 0.11 -0.28 118.68 119.34 3ic1 s LEU 128 Ca 0.16 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3ic1 s LEU 128 Cb -0.07 -1.42 0.09 0.00 0.03 0.00 0.00 46.19 44.81 3ic1 s LEU 128 CO 0.07 0.24 0.04 -0.22 0.23 0.00 0.00 176.35 176.72 3ic1 s LEU 129 N -0.12 3.15 -0.06 1.79 0.20 0.17 -1.62 118.68 122.20 3ic1 s LEU 129 Ca -0.04 -1.68 0.06 0.00 0.69 0.00 0.00 54.13 53.15 3ic1 s LEU 129 Cb -0.14 -1.19 -0.01 0.00 -0.43 0.00 0.00 46.19 44.41 3ic1 s LEU 129 CO 0.04 -0.36 -0.23 -0.63 -0.29 0.00 0.00 176.35 174.89 3ic1 s ILE 130 N 1.33 2.25 0.14 6.68 1.01 -0.55 -2.10 121.20 129.95 3ic1 s ILE 130 Ca 0.06 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3ic1 s ILE 130 Cb -0.18 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3ic1 s ILE 130 CO -0.14 0.57 -0.15 0.28 0.00 0.00 0.00 174.94 175.50 3ic1 s THR 131 N -0.25 1.43 -1.70 2.92 -1.32 -0.88 -0.67 115.64 115.17 3ic1 s THR 131 Ca -0.01 -1.80 0.18 0.00 -1.21 0.00 0.00 61.69 58.86 3ic1 s THR 131 Cb -0.13 -1.64 0.47 0.00 -1.51 0.00 0.00 72.50 69.70 3ic1 s THR 131 CO 0.03 -0.43 1.39 -1.54 -2.21 0.00 0.00 174.62 171.86 3ic1 n SER 132 N 0.40 3.46 -3.36 8.08 3.41 -1.10 -0.08 113.62 124.42 3ic1 n SER 132 Ca -0.14 -1.97 -0.21 0.00 -0.26 0.00 0.00 58.87 56.29 3ic1 n SER 132 Cb 0.57 -0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 3ic1 n SER 132 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ic1 s ASP 133 N -1.08 1.51 -0.18 4.04 2.15 -1.26 -4.18 116.67 117.66 3ic1 s ASP 133 Ca 0.37 -1.99 0.17 0.00 0.43 0.00 0.00 52.55 51.54 3ic1 s ASP 133 Cb 0.20 0.24 -0.25 0.00 -0.30 0.00 0.00 42.92 42.81 3ic1 s ASP 133 CO 0.27 -0.24 0.13 1.21 -0.17 0.00 0.00 175.17 176.37 3ic1 n GLU 134 N 3.89 0.68 0.06 4.34 0.00 -1.26 -4.24 120.64 124.11 3ic1 n GLU 134 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 57.16 57.31 3ic1 n GLU 134 Cb 0.44 -1.55 -0.07 0.00 0.00 0.00 0.00 31.44 30.26 3ic1 n GLU 134 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3ic1 h GLU 135 N 0.00 0.00 0.00 5.31 4.39 -1.91 -3.45 114.58 118.92 3ic1 h GLU 135 Ca -0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3ic1 h GLU 135 Cb 2.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.87 3ic1 h GLU 135 CO 0.03 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.39 3ic1 n ALA 136 N -2.37 0.00 -0.06 3.43 0.00 -1.26 -4.94 120.51 115.31 3ic1 n ALA 136 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 3ic1 n ALA 136 Cb 0.87 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.47 3ic1 n ALA 136 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3ic1 h THR 137 N 0.00 1.26 -5.99 0.00 2.02 -1.91 -3.47 112.91 104.83 3ic1 h THR 137 Ca 0.00 -1.20 -0.42 0.00 0.77 0.00 0.00 66.41 65.56 3ic1 h THR 137 Cb 0.00 1.14 0.08 0.00 -1.74 0.00 0.00 68.15 67.64 3ic1 h THR 137 CO 0.00 0.40 -0.71 0.00 0.37 0.00 0.00 175.52 175.58 3ic1 n ALA 138 N -2.49 -1.36 -0.09 6.16 0.00 -1.26 -4.88 120.51 116.60 3ic1 n ALA 138 Ca 0.01 0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 3ic1 n ALA 138 Cb 0.38 -4.96 -0.16 0.00 0.00 0.00 0.00 19.45 14.71 3ic1 n ALA 138 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ic1 n LYS 139 N -4.85 0.68 -0.19 0.00 4.01 -1.26 -4.58 118.16 111.98 3ic1 n LYS 139 Ca -0.00 0.02 0.06 0.00 -0.51 0.00 0.00 58.31 57.87 3ic1 n LYS 139 Cb 0.56 -1.55 0.14 0.00 -0.51 0.00 0.00 35.03 33.67 3ic1 n LYS 139 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3ic1 n ASP 140 N -2.77 2.86 0.00 4.39 8.00 -1.26 -4.35 116.55 123.43 3ic1 n ASP 140 Ca -0.30 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 52.79 3ic1 n ASP 140 Cb 1.13 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 3ic1 n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ic1 n GLY 141 N -0.26 0.34 0.36 0.44 0.00 -1.26 -4.38 105.19 100.44 3ic1 n GLY 141 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3ic1 n GLY 141 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ic1 h THR 142 N 0.00 0.96 -0.55 2.61 2.02 -1.88 -0.71 112.91 115.35 3ic1 h THR 142 Ca 0.00 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 66.97 3ic1 h THR 142 Cb 0.00 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.42 3ic1 h THR 142 CO 0.00 0.15 0.22 0.40 0.37 0.00 0.00 175.52 176.66 3ic1 h ILE 143 N 0.82 0.84 -0.75 3.11 2.04 -1.85 -0.97 117.51 120.75 3ic1 h ILE 143 Ca 0.39 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 66.06 3ic1 h ILE 143 Cb 0.42 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3ic1 h ILE 143 CO -0.16 0.08 0.28 -0.74 0.00 0.00 0.00 178.15 177.61 3ic1 h HIS 144 N 0.42 1.14 -0.25 1.37 2.76 -1.34 -1.38 115.15 117.86 3ic1 h HIS 144 Ca 0.27 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3ic1 h HIS 144 Cb 0.28 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3ic1 h HIS 144 CO -0.15 0.87 0.11 0.28 -1.30 0.00 0.00 177.93 177.74 3ic1 h VAL 145 N 1.09 1.16 -0.70 5.26 2.07 -0.70 -2.36 116.25 122.07 3ic1 h VAL 145 Ca 0.25 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3ic1 h VAL 145 Cb 0.23 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3ic1 h VAL 145 CO -0.02 0.16 0.19 0.58 0.02 0.00 0.00 177.57 178.51 3ic1 h VAL 146 N 0.26 1.26 -0.41 2.57 2.07 -1.00 0.06 116.25 121.05 3ic1 h VAL 146 Ca 0.08 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.75 3ic1 h VAL 146 Cb 0.16 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 3ic1 h VAL 146 CO -0.01 0.36 -0.03 -0.33 0.02 0.00 0.00 177.57 177.58 3ic1 h GLU 147 N 1.05 0.07 -0.23 1.57 5.08 -1.24 0.28 114.58 121.15 3ic1 h GLU 147 Ca 0.22 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3ic1 h GLU 147 Cb 0.34 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ic1 h GLU 147 CO -0.00 0.04 0.08 1.15 -1.00 0.00 0.00 179.01 179.28 3ic1 h THR 148 N 0.07 1.19 -0.28 1.13 2.02 -0.81 -1.19 112.91 115.04 3ic1 h THR 148 Ca 0.20 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 3ic1 h THR 148 Cb 0.30 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3ic1 h THR 148 CO -0.37 0.19 0.17 -0.07 0.37 0.00 0.00 175.52 175.81 3ic1 h LEU 149 N 0.21 0.33 -1.01 2.58 3.38 -0.83 -2.98 115.31 116.99 3ic1 h LEU 149 Ca 0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3ic1 h LEU 149 Cb 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ic1 h LEU 149 CO -0.00 0.28 0.09 0.24 0.09 0.00 0.00 178.44 179.14 3ic1 h MET 150 N 0.35 0.81 -0.24 1.13 2.86 -0.89 -0.28 114.93 118.67 3ic1 h MET 150 Ca 0.10 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3ic1 h MET 150 Cb 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3ic1 h MET 150 CO -0.02 0.75 0.05 0.00 1.06 0.00 0.00 176.91 178.75 3ic1 h ALA 151 N 1.33 1.66 -0.48 6.32 0.00 -1.07 -2.06 119.26 124.97 3ic1 h ALA 151 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ic1 h ALA 151 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ic1 h ALA 151 CO 0.00 0.26 0.00 2.89 0.00 0.00 0.00 179.25 182.41 3ic1 n ARG 152 N -4.40 3.92 -3.60 0.00 1.85 -1.04 -4.97 116.66 108.43 3ic1 n ARG 152 Ca 0.00 -2.95 -0.27 0.00 -1.00 0.00 0.00 57.85 53.64 3ic1 n ARG 152 Cb 0.15 -2.00 0.03 0.00 -1.05 0.00 0.00 32.46 29.59 3ic1 n ARG 152 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3ic1 n ASP 153 N 0.36 -4.96 -4.77 2.89 8.00 -0.77 -4.99 116.55 112.31 3ic1 n ASP 153 Ca 0.24 -0.58 -0.39 0.00 0.71 0.00 0.00 54.79 54.78 3ic1 n ASP 153 Cb 1.00 -3.99 -0.06 0.00 -0.02 0.00 0.00 41.12 38.05 3ic1 n ASP 153 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ic1 s GLU 154 N -6.29 4.38 0.03 -1.24 2.12 -0.19 -5.02 118.70 112.50 3ic1 s GLU 154 Ca 0.53 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.75 3ic1 s GLU 154 Cb -0.26 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3ic1 s GLU 154 CO 0.66 0.41 0.09 0.15 -0.54 0.00 0.00 175.26 176.02 3ic1 s LYS 155 N -0.40 3.03 -0.16 4.30 1.02 -1.26 -4.44 119.74 121.83 3ic1 s LYS 155 Ca 0.33 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.79 3ic1 s LYS 155 Cb -0.20 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 3ic1 s LYS 155 CO 0.20 0.62 -0.20 0.42 -0.92 0.00 0.00 175.35 175.47 3ic1 s ILE 156 N -1.28 1.98 -0.16 2.17 1.01 -1.26 -4.75 121.20 118.92 3ic1 s ILE 156 Ca 0.26 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3ic1 s ILE 156 Cb -0.12 -1.78 -0.22 0.00 0.01 0.00 0.00 42.46 40.35 3ic1 s ILE 156 CO 0.18 0.53 0.53 0.74 0.00 0.00 0.00 174.94 176.92 3ic1 h THR 157 N 5.91 1.38 -3.99 2.92 2.02 -1.62 -3.22 112.91 116.31 3ic1 h THR 157 Ca -0.39 -2.19 -0.56 0.00 0.77 0.00 0.00 66.41 64.05 3ic1 h THR 157 Cb 1.16 2.76 -0.23 0.00 -1.74 0.00 0.00 68.15 70.10 3ic1 h THR 157 CO 0.59 0.47 -0.83 -0.31 0.37 0.00 0.00 175.52 175.81 3ic1 s TYR 158 N -2.23 1.76 -0.03 3.16 2.02 -0.43 -1.32 117.35 120.29 3ic1 s TYR 158 Ca -0.21 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.08 3ic1 s TYR 158 Cb -0.00 -0.99 0.03 0.00 -0.40 0.00 0.00 41.96 40.60 3ic1 s TYR 158 CO 0.61 0.17 0.07 0.00 -1.57 0.00 0.00 175.55 174.82 3ic1 s MET 160 N 1.09 2.88 -0.23 0.00 0.00 -0.56 -1.10 119.30 121.38 3ic1 s MET 160 Ca -0.09 -0.99 -0.17 0.00 0.00 0.00 0.00 55.69 54.44 3ic1 s MET 160 Cb -0.12 -3.32 -0.03 0.00 0.00 0.00 0.00 34.83 31.35 3ic1 s MET 160 CO -0.04 -0.51 0.46 0.08 0.00 0.00 0.00 175.02 175.01 3ic1 s VAL 161 N 1.43 5.13 -0.96 10.11 1.01 -0.19 -1.43 120.40 135.50 3ic1 s VAL 161 Ca 0.01 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.79 3ic1 s VAL 161 Cb -0.18 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3ic1 s VAL 161 CO 0.01 0.17 0.55 0.61 0.00 0.00 0.00 175.10 176.45 3ic1 n GLY 162 N 4.16 1.56 3.73 4.51 0.00 -0.06 -1.87 105.19 117.23 3ic1 n GLY 162 Ca -0.06 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3ic1 n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ic1 n GLU 163 N 0.03 2.40 -1.84 1.61 -0.58 -1.26 -4.54 120.64 116.46 3ic1 n GLU 163 Ca 0.01 0.85 -0.43 0.00 -0.42 0.00 0.00 57.16 57.17 3ic1 n GLU 163 Cb 0.29 -2.52 -0.03 0.00 -0.57 0.00 0.00 31.44 28.61 3ic1 n GLU 163 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3ic1 s PRO 164 N -1.57 3.30 -0.02 3.49 0.04 -1.26 -2.75 135.00 136.23 3ic1 s PRO 164 Ca 0.57 1.71 0.22 0.00 0.04 0.00 0.00 61.00 63.54 3ic1 s PRO 164 Cb -0.53 -4.26 -0.30 0.00 0.04 0.00 0.00 34.50 29.45 3ic1 s PRO 164 CO 0.59 -1.91 0.57 -1.13 0.04 0.00 0.00 177.00 175.17 3ic1 n SER 165 N 10.69 0.18 -4.76 6.66 3.41 -1.03 -4.52 113.62 124.25 3ic1 n SER 165 Ca 0.25 -0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.34 3ic1 n SER 165 Cb 0.46 1.78 -0.05 0.00 -0.26 0.00 0.00 64.21 66.14 3ic1 n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ic1 s SER 166 N -4.33 7.35 -0.26 4.04 0.01 -0.87 -4.61 113.70 115.02 3ic1 s SER 166 Ca -0.05 2.12 -0.07 0.00 1.31 0.00 0.00 55.95 59.27 3ic1 s SER 166 Cb 0.14 -2.62 -0.15 0.00 0.21 0.00 0.00 66.02 63.60 3ic1 s SER 166 CO 0.90 -0.07 -0.25 0.00 0.41 0.00 0.00 173.24 174.23 3ic1 n ALA 167 N 1.14 1.28 0.00 1.44 0.00 -1.26 -1.34 120.51 121.77 3ic1 n ALA 167 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3ic1 n ALA 167 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3ic1 n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ic1 n LYS 168 N -3.76 0.00 -4.91 0.00 5.02 -1.26 -4.78 118.16 108.47 3ic1 n LYS 168 Ca -0.49 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.54 3ic1 n LYS 168 Cb 0.94 -0.50 -0.16 0.00 -0.02 0.00 0.00 35.03 35.29 3ic1 n LYS 168 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ic1 s ASN 169 N -3.92 2.21 0.02 4.39 0.01 -1.26 -5.07 114.94 111.33 3ic1 s ASN 169 Ca 0.00 -0.34 -0.38 0.00 -0.71 0.00 0.00 52.86 51.43 3ic1 s ASN 169 Cb 0.00 -0.30 -0.17 0.00 0.41 0.00 0.00 41.25 41.19 3ic1 s ASN 169 CO 0.00 0.22 1.32 -0.11 -1.51 0.00 0.00 177.10 177.03 3ic1 n LEU 170 N 2.69 1.35 0.00 0.60 7.94 -1.26 -1.39 117.00 126.92 3ic1 n LEU 170 Ca -0.15 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3ic1 n LEU 170 Cb 0.53 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 43.36 3ic1 n LEU 170 CO 0.24 -1.17 0.00 0.61 -1.11 0.00 0.00 177.39 175.96 3ic1 n GLY 171 N 2.48 1.03 0.02 -3.96 0.00 -1.26 -4.95 105.19 98.55 3ic1 n GLY 171 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 3ic1 n GLY 171 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ic1 n ASP 172 N 0.00 0.11 -3.73 1.61 5.68 -0.49 -3.32 116.55 116.41 3ic1 n ASP 172 Ca 0.00 0.52 -0.12 0.00 -0.50 0.00 0.00 54.79 54.69 3ic1 n ASP 172 Cb 0.00 -0.54 -0.11 0.00 -1.14 0.00 0.00 41.12 39.32 3ic1 n ASP 172 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ic1 s VAL 173 N -3.03 -0.02 -0.04 2.12 1.01 -1.26 -1.70 120.40 117.47 3ic1 s VAL 173 Ca 0.10 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.22 3ic1 s VAL 173 Cb 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3ic1 s VAL 173 CO 0.40 0.03 -0.24 -0.69 0.00 0.00 0.00 175.10 174.59 3ic1 s VAL 174 N 0.93 1.97 -0.22 2.92 1.01 -0.56 -4.32 120.40 122.12 3ic1 s VAL 174 Ca -0.06 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 3ic1 s VAL 174 Cb -0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3ic1 s VAL 174 CO -0.07 0.55 0.66 -0.54 0.00 0.00 0.00 175.10 175.71 3ic1 s LYS 175 N -0.29 4.17 0.00 2.72 -0.14 -0.77 -0.92 119.74 124.51 3ic1 s LYS 175 Ca 0.01 0.65 0.06 0.00 -1.36 0.00 0.00 55.97 55.33 3ic1 s LYS 175 Cb -0.12 -3.61 0.05 0.00 -1.68 0.00 0.00 37.83 32.46 3ic1 s LYS 175 CO 0.02 -0.35 0.68 0.27 -0.76 0.00 0.00 175.35 175.22 3ic1 n ASN 176 N 5.44 1.48 -3.75 2.83 6.94 -0.21 -1.60 115.26 126.40 3ic1 n ASN 176 Ca 0.00 -1.24 -0.13 0.00 -0.02 0.00 0.00 54.58 53.19 3ic1 n ASN 176 Cb 0.49 0.01 -0.09 0.00 -2.36 0.00 0.00 39.78 37.83 3ic1 n ASN 176 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3ic1 s GLY 177 N -0.50 -0.19 0.05 4.83 0.00 -1.23 -0.26 107.32 110.01 3ic1 s GLY 177 Ca 0.07 0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.29 3ic1 s GLY 177 CO 0.08 0.30 -0.04 0.50 0.00 0.00 0.00 173.10 173.94 3ic1 s ARG 178 N -1.02 0.55 0.54 2.90 1.81 -0.87 -1.63 118.95 121.23 3ic1 s ARG 178 Ca -0.11 -1.03 -0.12 0.00 -1.72 0.00 0.00 55.73 52.75 3ic1 s ARG 178 Cb -0.04 0.09 -0.06 0.00 -0.45 0.00 0.00 34.95 34.48 3ic1 s ARG 178 CO 0.04 -0.07 0.96 1.03 -0.68 0.00 0.00 175.30 176.58 3ic1 s ARG 179 N -3.03 3.74 0.89 3.54 0.52 -1.26 -1.62 118.95 121.73 3ic1 s ARG 179 Ca -0.00 0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 55.83 3ic1 s ARG 179 Cb 0.01 -2.17 0.17 0.00 0.52 0.00 0.00 34.95 33.48 3ic1 s ARG 179 CO -0.06 -0.36 1.23 0.20 0.02 0.00 0.00 175.30 176.33 3ic1 s GLY 180 N -3.64 1.76 -0.04 -3.53 0.00 -0.11 -4.49 107.32 97.27 3ic1 s GLY 180 Ca 0.55 -1.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 3ic1 s GLY 180 CO 0.42 -0.56 0.06 -1.35 0.00 0.00 0.00 173.10 171.66 3ic1 s SER 181 N -4.82 0.79 0.02 1.64 1.04 0.12 -1.59 113.70 110.90 3ic1 s SER 181 Ca 0.71 0.08 0.02 0.00 0.48 0.00 0.00 55.95 57.24 3ic1 s SER 181 Cb -0.05 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3ic1 s SER 181 CO 0.50 -0.21 -0.07 -0.51 0.98 0.00 0.00 173.24 173.93 3ic1 s ILE 182 N 1.83 0.51 -0.13 -1.02 2.07 -0.79 -1.74 121.20 121.93 3ic1 s ILE 182 Ca 0.01 -0.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 3ic1 s ILE 182 Cb -0.12 -0.49 0.02 0.00 0.13 0.00 0.00 42.46 42.00 3ic1 s ILE 182 CO -0.03 -0.07 -0.16 -0.89 -1.91 0.00 0.00 174.94 171.88 3ic1 s THR 183 N -0.63 1.61 -0.14 4.00 2.01 0.07 -0.82 115.64 121.74 3ic1 s THR 183 Ca -0.02 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3ic1 s THR 183 Cb -0.05 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 3ic1 s THR 183 CO 0.00 0.46 0.19 -0.83 -0.69 0.00 0.00 174.62 173.76 3ic1 s GLY 184 N 1.14 2.17 -0.30 4.40 0.00 -0.46 -0.55 107.32 113.72 3ic1 s GLY 184 Ca -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3ic1 s GLY 184 CO -0.05 -0.03 -0.02 -1.31 0.00 0.00 0.00 173.10 171.69 3ic1 s ASN 185 N -0.36 4.65 -0.13 1.64 0.01 0.15 -2.07 114.94 118.82 3ic1 s ASN 185 Ca 0.14 -1.76 0.02 0.00 -0.71 0.00 0.00 52.86 50.55 3ic1 s ASN 185 Cb -0.12 -1.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.93 3ic1 s ASN 185 CO 0.03 -0.29 -0.19 -0.22 -1.51 0.00 0.00 177.10 174.92 3ic1 s LEU 186 N 1.02 2.30 -0.37 0.60 2.96 -0.32 -1.35 118.68 123.53 3ic1 s LEU 186 Ca 0.01 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3ic1 s LEU 186 Cb -0.20 -1.49 0.10 0.00 0.50 0.00 0.00 46.19 45.10 3ic1 s LEU 186 CO -0.06 0.12 0.11 -0.31 -1.32 0.00 0.00 176.35 174.89 3ic1 s TYR 187 N 0.59 3.58 -0.05 5.38 2.02 -0.00 -1.02 117.35 127.85 3ic1 s TYR 187 Ca -0.11 -2.50 -0.24 0.00 -0.37 0.00 0.00 57.07 53.85 3ic1 s TYR 187 Cb -0.16 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 3ic1 s TYR 187 CO 0.03 -0.94 0.75 0.42 -1.57 0.00 0.00 175.55 174.24 3ic1 s ILE 188 N 1.09 5.01 0.13 2.71 1.01 0.95 -1.84 121.20 130.25 3ic1 s ILE 188 Ca 0.06 1.55 0.02 0.00 0.00 0.00 0.00 60.65 62.28 3ic1 s ILE 188 Cb -0.21 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 3ic1 s ILE 188 CO -0.05 0.24 0.26 -1.10 0.00 0.00 0.00 174.94 174.30 3ic1 s GLN 189 N 0.81 3.43 0.00 2.79 -0.21 0.51 -0.76 119.66 126.23 3ic1 s GLN 189 Ca 0.40 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.21 3ic1 s GLN 189 Cb -0.18 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.85 3ic1 s GLN 189 CO 0.20 0.54 0.00 0.41 -2.12 0.00 0.00 175.29 174.32 3ic1 n GLY 190 N -0.34 0.78 3.52 3.09 0.00 -1.18 -4.57 105.19 106.49 3ic1 n GLY 190 Ca -0.07 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3ic1 n GLY 190 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ic1 s ILE 191 N -2.65 4.88 0.00 -0.61 -5.25 -1.08 -4.54 121.20 111.95 3ic1 s ILE 191 Ca 0.00 0.06 0.00 0.00 -0.99 0.00 0.00 60.65 59.72 3ic1 s ILE 191 Cb 0.00 -4.17 0.00 0.00 2.95 0.00 0.00 42.46 41.24 3ic1 s ILE 191 CO 0.00 -0.55 0.00 0.00 -1.79 0.00 0.00 174.94 172.60 3ic1 n HIS 199 N 6.13 0.00 0.08 1.37 -0.00 -1.26 -4.90 115.22 116.64 3ic1 n HIS 199 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.61 3ic1 n HIS 199 Cb 0.48 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.49 3ic1 n HIS 199 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3ic1 h LEU 200 N 0.00 0.28 0.00 2.39 4.07 -2.08 -3.20 115.31 116.77 3ic1 h LEU 200 Ca 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3ic1 h LEU 200 Cb 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.66 3ic1 h LEU 200 CO 0.00 0.97 0.00 0.00 -1.08 0.00 0.00 178.44 178.33 3ic1 n ALA 201 N -2.47 2.02 1.08 1.53 0.00 -1.26 -2.76 120.51 118.65 3ic1 n ALA 201 Ca -0.03 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.44 3ic1 n ALA 201 Cb 0.76 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 19.07 3ic1 n ALA 201 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ic1 n GLU 202 N -1.38 0.40 -2.36 0.00 2.13 -1.21 -4.45 120.64 113.77 3ic1 n GLU 202 Ca 0.08 -0.27 -0.41 0.00 0.66 0.00 0.00 57.16 57.22 3ic1 n GLU 202 Cb 0.20 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.38 3ic1 n GLU 202 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3ic1 s ASN 203 N -2.79 7.10 0.43 4.31 2.47 -1.11 -4.90 114.94 120.44 3ic1 s ASN 203 Ca 0.15 2.33 0.14 0.00 0.42 0.00 0.00 52.86 55.91 3ic1 s ASN 203 Cb 0.18 -2.62 1.02 0.00 -1.45 0.00 0.00 41.25 38.37 3ic1 s ASN 203 CO 0.66 -0.31 1.96 -0.65 -3.72 0.00 0.00 177.10 175.03 3ic1 h PRO 204 N 4.37 0.42 -0.98 0.43 0.11 -1.92 0.25 132.00 134.68 3ic1 h PRO 204 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3ic1 h PRO 204 Cb 1.21 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3ic1 h PRO 204 CO 0.70 0.28 0.64 0.97 -0.21 0.00 0.00 178.00 180.38 3ic1 h ILE 205 N 0.43 1.15 0.03 4.15 6.09 -1.90 0.18 117.51 127.63 3ic1 h ILE 205 Ca 0.31 -0.41 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 3ic1 h ILE 205 Cb 0.64 -0.17 0.00 0.00 0.47 0.00 0.00 36.82 37.76 3ic1 h ILE 205 CO -0.09 0.22 -0.01 -0.74 -3.07 0.00 0.00 178.15 174.45 3ic1 h HIS 206 N 1.21 -0.03 -0.90 2.19 2.76 -0.83 -1.51 115.15 118.03 3ic1 h HIS 206 Ca 0.40 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.58 3ic1 h HIS 206 Cb 0.05 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 3ic1 h HIS 206 CO -0.00 0.36 0.60 0.87 -1.30 0.00 0.00 177.93 178.45 3ic1 h LYS 207 N -0.43 1.17 0.00 5.26 1.57 -1.36 -1.75 116.57 121.03 3ic1 h LYS 207 Ca -0.00 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3ic1 h LYS 207 Cb 0.40 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ic1 h LYS 207 CO 0.01 0.77 -0.49 0.00 -0.57 0.00 0.00 179.45 179.17 3ic1 h ALA 208 N 1.44 1.17 -0.17 3.86 0.00 -0.51 -1.98 119.26 123.07 3ic1 h ALA 208 Ca 0.33 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3ic1 h ALA 208 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ic1 h ALA 208 CO -0.08 0.61 -0.40 0.00 0.00 0.00 0.00 179.25 179.39 3ic1 h ALA 209 N 1.51 1.00 -0.35 0.00 0.00 -0.43 -1.64 119.26 119.35 3ic1 h ALA 209 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3ic1 h ALA 209 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3ic1 h ALA 209 CO 0.06 0.61 0.04 -0.07 0.00 0.00 0.00 179.25 179.89 3ic1 h LEU 210 N 0.33 0.58 -0.14 0.00 3.38 -1.05 -1.34 115.31 117.07 3ic1 h LEU 210 Ca 0.03 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3ic1 h LEU 210 Cb 0.84 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3ic1 h LEU 210 CO 0.07 0.71 -0.07 0.15 0.09 0.00 0.00 178.44 179.40 3ic1 h PHE 211 N 0.43 -0.15 -0.97 1.13 3.57 -1.23 -2.25 116.94 117.47 3ic1 h PHE 211 Ca 0.10 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.71 3ic1 h PHE 211 Cb 0.39 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 3ic1 h PHE 211 CO 0.03 -0.11 0.61 1.25 -2.23 0.00 0.00 178.31 177.86 3ic1 h LEU 212 N -0.05 0.93 -0.45 0.59 5.85 -1.22 -0.10 115.31 120.86 3ic1 h LEU 212 Ca 0.08 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3ic1 h LEU 212 Cb 0.17 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 3ic1 h LEU 212 CO -0.17 0.55 0.01 1.56 -0.34 0.00 0.00 178.44 180.05 3ic1 h GLN 213 N 1.04 0.12 0.32 1.25 4.20 -0.87 -2.18 115.11 119.00 3ic1 h GLN 213 Ca 0.45 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.13 3ic1 h GLN 213 Cb 0.31 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3ic1 h GLN 213 CO -0.22 0.08 -0.15 0.93 -0.67 0.00 0.00 178.83 178.80 3ic1 h GLU 214 N 0.13 -0.41 -0.90 1.46 5.08 -0.66 -2.89 114.58 116.39 3ic1 h GLU 214 Ca 0.23 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.76 3ic1 h GLU 214 Cb 0.33 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 3ic1 h GLU 214 CO -0.36 -0.11 0.51 1.25 -1.00 0.00 0.00 179.01 179.30 3ic1 h LEU 215 N -0.73 0.66 -0.42 1.33 5.85 -0.98 0.18 115.31 121.19 3ic1 h LEU 215 Ca -0.04 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ic1 h LEU 215 Cb 0.50 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3ic1 h LEU 215 CO 0.07 0.29 -0.05 0.35 -0.34 0.00 0.00 178.44 178.76 3ic1 n THR 216 N -4.80 0.00 -0.22 1.05 -2.24 -0.83 -3.80 114.28 103.45 3ic1 n THR 216 Ca 0.18 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3ic1 n THR 216 Cb 0.44 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3ic1 n THR 216 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ic1 n THR 217 N -0.58 0.00 -1.69 4.28 -2.24 -0.71 -5.07 114.28 108.28 3ic1 n THR 217 Ca 0.19 -0.29 -0.45 0.00 -2.27 0.00 0.00 64.05 61.23 3ic1 n THR 217 Cb 0.26 1.22 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 3ic1 n THR 217 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ic1 n TYR 218 N -0.28 2.45 -3.01 4.78 9.36 0.56 -4.88 117.16 126.15 3ic1 n TYR 218 Ca 0.00 0.14 -0.43 0.00 3.32 0.00 0.00 57.90 60.92 3ic1 n TYR 218 Cb 0.06 -2.61 -0.05 0.00 -0.63 0.00 0.00 39.34 36.11 3ic1 n TYR 218 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3ic1 s GLN 219 N 1.40 3.16 0.33 2.98 0.74 -1.26 -4.90 119.66 122.12 3ic1 s GLN 219 Ca 0.79 -0.79 0.05 0.00 0.05 0.00 0.00 55.36 55.46 3ic1 s GLN 219 Cb -0.61 -4.14 0.58 0.00 1.10 0.00 0.00 33.01 29.94 3ic1 s GLN 219 CO 0.37 -1.45 1.84 -1.49 -0.55 0.00 0.00 175.29 174.02 3ic1 h TRP 220 N 9.21 0.51 -1.83 1.67 4.06 -1.89 -3.47 115.95 124.20 3ic1 h TRP 220 Ca -0.28 -0.06 0.36 0.00 2.06 0.00 0.00 58.89 60.97 3ic1 h TRP 220 Cb 1.08 -0.14 -0.09 0.00 -1.00 0.00 0.00 29.16 29.01 3ic1 h TRP 220 CO 0.84 0.55 0.92 0.16 -3.56 0.00 0.00 178.44 177.36 3ic1 s ASP 221 N -6.77 -0.01 -0.22 -3.49 1.47 -1.26 -4.86 116.67 101.52 3ic1 s ASP 221 Ca -0.07 -0.13 0.14 0.00 1.18 0.00 0.00 52.55 53.66 3ic1 s ASP 221 Cb 0.15 0.11 0.50 0.00 -0.34 0.00 0.00 42.92 43.34 3ic1 s ASP 221 CO 0.77 -0.21 1.43 0.29 0.68 0.00 0.00 175.17 178.13 3ic1 n LYS 222 N -0.79 2.34 0.00 2.11 5.02 -1.26 -4.52 118.16 121.06 3ic1 n LYS 222 Ca 0.00 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 3ic1 n LYS 222 Cb 0.60 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3ic1 n LYS 222 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ic1 n GLY 223 N -0.84 -0.73 0.00 0.72 0.00 -1.26 -4.42 105.19 98.65 3ic1 n GLY 223 Ca 0.26 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3ic1 n GLY 223 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ic1 n ASN 224 N -1.17 0.00 -0.06 1.61 0.23 -0.29 -4.92 115.26 110.67 3ic1 n ASN 224 Ca 0.00 -0.11 -0.00 0.00 -0.53 0.00 0.00 54.58 53.94 3ic1 n ASN 224 Cb 0.00 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 37.98 3ic1 n ASN 224 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3ic1 h GLU 225 N 0.00 0.66 0.00 -3.83 4.81 -2.01 -3.16 114.58 111.05 3ic1 h GLU 225 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ic1 h GLU 225 Cb 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3ic1 h GLU 225 CO 0.00 0.58 -1.32 1.19 -0.73 0.00 0.00 179.01 178.73 3ic1 n PHE 226 N -4.33 0.00 -4.18 0.92 3.72 -1.26 -5.00 117.46 107.34 3ic1 n PHE 226 Ca 0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.25 3ic1 n PHE 226 Cb 0.19 -0.18 -0.12 0.00 -0.94 0.00 0.00 39.48 38.43 3ic1 n PHE 226 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ic1 s PHE 227 N -3.09 1.24 0.83 1.38 0.08 -1.19 -4.59 117.98 112.64 3ic1 s PHE 227 Ca 0.02 -0.46 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 3ic1 s PHE 227 Cb 0.14 -0.69 0.09 0.00 -0.57 0.00 0.00 43.02 41.99 3ic1 s PHE 227 CO 0.83 0.06 1.16 -1.25 -0.10 0.00 0.00 175.22 175.93 3ic1 s PRO 228 N -1.79 1.82 0.63 0.24 0.04 -1.26 -1.13 135.00 133.55 3ic1 s PRO 228 Ca -0.01 0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.04 3ic1 s PRO 228 Cb -0.10 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3ic1 s PRO 228 CO 0.02 -1.71 1.21 -2.14 0.04 0.00 0.00 177.00 174.42 3ic1 s PRO 229 N -5.48 2.75 0.28 0.56 0.02 -1.26 -4.42 135.00 127.44 3ic1 s PRO 229 Ca 0.62 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 63.14 3ic1 s PRO 229 Cb -0.12 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 3ic1 s PRO 229 CO 0.50 -1.38 1.49 2.41 -0.33 0.00 0.00 177.00 179.69 3ic1 n THR 230 N -1.93 1.16 -4.43 0.99 -1.04 -1.26 -4.81 114.28 102.97 3ic1 n THR 230 Ca 0.13 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.05 61.56 3ic1 n THR 230 Cb 0.50 -1.74 -0.13 0.00 -1.82 0.00 0.00 70.33 67.14 3ic1 n THR 230 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ic1 s SER 231 N 0.29 3.30 -0.03 8.00 1.04 -0.87 -4.77 113.70 120.66 3ic1 s SER 231 Ca 0.64 -0.74 0.07 0.00 0.48 0.00 0.00 55.95 56.40 3ic1 s SER 231 Cb -0.56 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 3ic1 s SER 231 CO 0.51 0.19 -0.23 -0.22 0.98 0.00 0.00 173.24 174.46 3ic1 s LEU 232 N -1.99 2.19 0.03 2.42 0.20 -1.26 -1.32 118.68 118.95 3ic1 s LEU 232 Ca 0.14 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.55 3ic1 s LEU 232 Cb -0.10 -1.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.25 3ic1 s LEU 232 CO 0.06 0.31 -0.06 0.00 -0.29 0.00 0.00 176.35 176.37 3ic1 s GLN 233 N -0.57 0.43 -0.21 1.98 -2.07 -0.03 -4.97 119.66 114.22 3ic1 s GLN 233 Ca 0.09 -0.66 -0.17 0.00 -1.82 0.00 0.00 55.36 52.80 3ic1 s GLN 233 Cb -0.11 -0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.64 3ic1 s GLN 233 CO -0.00 0.01 0.45 0.42 -1.32 0.00 0.00 175.29 174.85 3ic1 s ILE 234 N -1.32 5.16 -0.06 3.63 -1.09 -1.26 -0.52 121.20 125.74 3ic1 s ILE 234 Ca -0.11 0.81 0.08 0.00 -2.23 0.00 0.00 60.65 59.19 3ic1 s ILE 234 Cb -0.09 -3.78 -0.24 0.00 -1.58 0.00 0.00 42.46 36.77 3ic1 s ILE 234 CO -0.00 0.21 0.61 0.00 -1.23 0.00 0.00 174.94 174.53 3ic1 n ALA 235 N 4.67 1.35 -3.50 9.38 0.00 0.16 -4.97 120.51 127.59 3ic1 n ALA 235 Ca -0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 3ic1 n ALA 235 Cb 0.51 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 3ic1 n ALA 235 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ic1 s ASN 236 N -6.32 -0.54 -0.08 0.00 0.01 -1.03 -4.97 114.94 102.01 3ic1 s ASN 236 Ca -0.08 0.98 -0.02 0.00 -0.71 0.00 0.00 52.86 53.03 3ic1 s ASN 236 Cb 0.08 0.94 0.03 0.00 0.41 0.00 0.00 41.25 42.70 3ic1 s ASN 236 CO 0.81 -0.18 0.01 -0.63 -1.51 0.00 0.00 177.10 175.60 3ic1 s ILE 237 N 0.76 0.34 -0.03 0.60 1.01 -1.25 -0.63 121.20 122.00 3ic1 s ILE 237 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3ic1 s ILE 237 Cb -0.05 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.87 3ic1 s ILE 237 CO -0.06 0.19 -0.08 -1.00 0.00 0.00 0.00 174.94 174.00 3ic1 s HIS 238 N 1.98 0.91 -0.15 3.97 3.76 0.18 -4.97 115.29 120.98 3ic1 s HIS 238 Ca 0.04 -0.24 -0.19 0.00 -0.15 0.00 0.00 55.06 54.53 3ic1 s HIS 238 Cb -0.13 -0.67 0.05 0.00 1.11 0.00 0.00 32.58 32.94 3ic1 s HIS 238 CO -0.05 -0.12 0.50 0.00 -0.85 0.00 0.00 174.74 174.21 3ic1 s ALA 239 N 0.36 -1.25 0.00 -1.40 0.00 -1.26 -0.67 121.76 117.54 3ic1 s ALA 239 Ca -0.05 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3ic1 s ALA 239 Cb -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3ic1 s ALA 239 CO 0.01 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3ic1 n GLY 240 N 2.36 0.03 0.15 0.00 0.00 -0.62 -4.71 105.19 102.39 3ic1 n GLY 240 Ca -0.15 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 43.93 3ic1 n GLY 240 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ic1 h THR 241 N 0.00 0.76 -4.01 2.61 2.02 -1.89 -3.40 112.91 109.01 3ic1 h THR 241 Ca 0.00 -2.08 -0.46 0.00 0.77 0.00 0.00 66.41 64.64 3ic1 h THR 241 Cb 0.00 2.38 0.15 0.00 -1.74 0.00 0.00 68.15 68.93 3ic1 h THR 241 CO 0.00 0.43 0.23 -0.83 0.37 0.00 0.00 175.52 175.73 3ic1 s GLY 242 N -4.43 1.58 -1.43 2.16 0.00 -1.26 -3.77 107.32 100.16 3ic1 s GLY 242 Ca 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 3ic1 s GLY 242 CO 0.74 0.21 0.59 1.44 0.00 0.00 0.00 173.10 176.08 3ic1 n SER 243 N -4.01 -5.81 -2.28 1.64 7.64 -1.26 -2.28 113.62 107.26 3ic1 n SER 243 Ca 0.06 -0.28 -0.18 0.00 1.01 0.00 0.00 58.87 59.48 3ic1 n SER 243 Cb 0.57 -4.63 -0.02 0.00 -1.01 0.00 0.00 64.21 59.13 3ic1 n SER 243 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3ic1 n ASN 244 N -2.20 -5.16 -4.67 6.43 3.02 -1.26 -4.91 115.26 106.51 3ic1 n ASN 244 Ca -0.10 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 3ic1 n ASN 244 Cb 0.61 -4.36 -0.03 0.00 -0.61 0.00 0.00 39.78 35.39 3ic1 n ASN 244 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ic1 s ASN 245 N -2.11 6.61 0.00 6.41 3.84 -0.97 -4.89 114.94 123.83 3ic1 s ASN 245 Ca 0.00 2.41 0.27 0.00 0.21 0.00 0.00 52.86 55.74 3ic1 s ASN 245 Cb 0.00 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.90 3ic1 s ASN 245 CO 0.00 -0.92 1.57 1.33 -2.79 0.00 0.00 177.10 176.29 3ic1 n VAL 246 N 5.12 0.00 -3.17 -5.21 0.24 -1.26 -4.18 118.33 109.87 3ic1 n VAL 246 Ca 0.17 -0.29 -0.25 0.00 -2.04 0.00 0.00 64.34 61.93 3ic1 n VAL 246 Cb 0.41 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 3ic1 n VAL 246 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3ic1 n ILE 247 N 0.30 1.73 0.18 1.34 -5.35 -1.26 -4.98 119.36 111.31 3ic1 n ILE 247 Ca 0.16 -5.06 0.02 0.00 -0.27 0.00 0.00 62.75 57.60 3ic1 n ILE 247 Cb 0.42 -1.51 0.36 0.00 -1.74 0.00 0.00 39.64 37.17 3ic1 n ILE 247 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3ic1 h PRO 248 N 3.51 0.04 0.00 6.28 0.13 -1.76 -2.40 132.00 137.80 3ic1 h PRO 248 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ic1 h PRO 248 Cb 0.69 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3ic1 h PRO 248 CO 0.72 0.37 0.00 0.00 -0.23 0.00 0.00 178.00 178.86 3ic1 n ALA 249 N -2.48 2.59 -2.65 -0.56 0.00 -1.26 -1.59 120.51 114.56 3ic1 n ALA 249 Ca -0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 3ic1 n ALA 249 Cb 0.38 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 3ic1 n ALA 249 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ic1 s GLU 250 N -2.00 2.39 -0.39 0.00 2.02 -0.91 -2.64 118.70 117.18 3ic1 s GLU 250 Ca 0.36 -0.94 -0.14 0.00 0.02 0.00 0.00 54.97 54.27 3ic1 s GLU 250 Cb 0.16 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.97 3ic1 s GLU 250 CO 0.28 0.52 0.27 -1.17 0.02 0.00 0.00 175.26 175.18 3ic1 s LEU 251 N -2.38 4.91 -0.19 1.80 2.96 0.07 -4.30 118.68 121.54 3ic1 s LEU 251 Ca 0.25 -0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 53.29 3ic1 s LEU 251 Cb -0.11 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3ic1 s LEU 251 CO 0.17 -0.38 0.10 -0.47 -1.32 0.00 0.00 176.35 174.45 3ic1 s TYR 252 N 1.68 3.35 -0.09 5.38 5.04 0.16 -0.04 117.35 132.83 3ic1 s TYR 252 Ca 0.05 0.23 -0.00 0.00 -2.44 0.00 0.00 57.07 54.91 3ic1 s TYR 252 Cb -0.19 -2.12 0.02 0.00 0.35 0.00 0.00 41.96 40.03 3ic1 s TYR 252 CO 0.10 0.25 -0.06 0.42 -1.34 0.00 0.00 175.55 174.92 3ic1 s ILE 253 N 0.31 0.83 -0.15 3.14 1.01 -0.19 -0.64 121.20 125.50 3ic1 s ILE 253 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 3ic1 s ILE 253 Cb -0.12 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 3ic1 s ILE 253 CO -0.01 0.32 -0.06 -1.58 0.00 0.00 0.00 174.94 173.61 3ic1 s GLN 254 N 1.52 3.58 0.03 2.79 0.74 0.20 -1.17 119.66 127.34 3ic1 s GLN 254 Ca 0.00 -0.57 -0.05 0.00 0.05 0.00 0.00 55.36 54.79 3ic1 s GLN 254 Cb -0.13 -2.85 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 3ic1 s GLN 254 CO -0.05 0.21 0.09 -0.59 -0.55 0.00 0.00 175.29 174.40 3ic1 s PHE 255 N 0.43 0.18 -0.03 1.67 -0.12 -0.88 -0.67 117.98 118.56 3ic1 s PHE 255 Ca -0.05 -0.44 0.07 0.00 -0.05 0.00 0.00 56.93 56.45 3ic1 s PHE 255 Cb -0.15 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 3ic1 s PHE 255 CO 0.03 -0.33 -0.25 -0.80 -0.05 0.00 0.00 175.22 173.83 3ic1 s ASN 256 N -1.90 2.93 -0.19 1.98 0.01 0.33 -1.36 114.94 116.73 3ic1 s ASN 256 Ca -0.08 -0.46 -0.03 0.00 -0.71 0.00 0.00 52.86 51.57 3ic1 s ASN 256 Cb -0.03 -0.47 -0.01 0.00 0.41 0.00 0.00 41.25 41.15 3ic1 s ASN 256 CO -0.03 0.28 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.04 3ic1 s LEU 257 N -0.45 2.97 -0.59 0.60 1.02 0.00 -0.85 118.68 121.37 3ic1 s LEU 257 Ca 0.06 -0.32 -0.18 0.00 0.02 0.00 0.00 54.13 53.71 3ic1 s LEU 257 Cb -0.11 -1.74 0.12 0.00 0.02 0.00 0.00 46.19 44.48 3ic1 s LEU 257 CO 0.00 0.05 0.64 -0.60 0.02 0.00 0.00 176.35 176.46 3ic1 s ARG 258 N 1.09 3.06 0.02 1.70 6.06 -0.44 -1.88 118.95 128.56 3ic1 s ARG 258 Ca 0.01 -1.52 0.05 0.00 -2.50 0.00 0.00 55.73 51.78 3ic1 s ARG 258 Cb -0.15 -4.30 -0.03 0.00 0.06 0.00 0.00 34.95 30.53 3ic1 s ARG 258 CO -0.00 -1.46 -0.14 1.52 -2.50 0.00 0.00 175.30 172.72 3ic1 s TYR 259 N 2.19 2.69 0.57 5.12 -0.85 -0.62 -2.05 117.35 124.41 3ic1 s TYR 259 Ca 0.09 -0.17 -0.02 0.00 -0.52 0.00 0.00 57.07 56.45 3ic1 s TYR 259 Cb -0.25 -1.53 0.12 0.00 0.38 0.00 0.00 41.96 40.67 3ic1 s TYR 259 CO 0.04 0.28 0.78 0.00 -1.52 0.00 0.00 175.55 175.14 3ic1 n THR 261 N -2.61 0.47 0.31 0.00 -2.24 -1.26 -2.66 114.28 106.28 3ic1 n THR 261 Ca 0.12 0.12 0.20 0.00 -2.27 0.00 0.00 64.05 62.22 3ic1 n THR 261 Cb 0.44 -0.74 1.00 0.00 -2.10 0.00 0.00 70.33 68.94 3ic1 n THR 261 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ic1 h GLU 262 N 0.00 0.00 -5.03 -0.78 4.39 -1.93 -3.43 114.58 107.79 3ic1 h GLU 262 Ca 0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.31 3ic1 h GLU 262 Cb 0.37 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.88 3ic1 h GLU 262 CO 0.00 0.02 -0.63 0.14 -1.16 0.00 0.00 179.01 177.38 3ic1 s VAL 263 N -4.05 0.88 0.34 3.13 -7.23 -1.09 -5.03 120.40 107.35 3ic1 s VAL 263 Ca -0.03 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.20 3ic1 s VAL 263 Cb 0.12 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.43 3ic1 s VAL 263 CO 0.48 -0.13 -0.02 0.42 -0.31 0.00 0.00 175.10 175.53 3ic1 s THR 264 N -3.53 1.79 0.42 5.32 -4.23 -1.26 -4.79 115.64 109.35 3ic1 s THR 264 Ca 0.34 -2.08 0.12 0.00 -1.18 0.00 0.00 61.69 58.89 3ic1 s THR 264 Cb 0.07 -2.72 0.32 0.00 1.34 0.00 0.00 72.50 71.51 3ic1 s THR 264 CO 0.12 -0.13 1.97 -2.24 -0.54 0.00 0.00 174.62 173.80 3ic1 h ASP 265 N 2.04 0.43 -0.23 3.99 2.03 -1.99 -1.67 116.42 121.03 3ic1 h ASP 265 Ca -0.42 0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 55.81 3ic1 h ASP 265 Cb 1.24 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 3ic1 h ASP 265 CO 0.72 0.26 -0.18 -0.08 -1.03 0.00 0.00 179.24 178.93 3ic1 h GLU 266 N 0.48 0.54 -0.61 4.15 4.57 -1.99 -1.97 114.58 119.75 3ic1 h GLU 266 Ca 0.29 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3ic1 h GLU 266 Cb 0.49 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3ic1 h GLU 266 CO -0.09 0.84 0.39 0.82 -1.18 0.00 0.00 179.01 179.80 3ic1 h ILE 267 N 0.24 1.17 -0.25 2.32 2.04 -1.86 -1.32 117.51 119.84 3ic1 h ILE 267 Ca 0.04 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3ic1 h ILE 267 Cb 0.72 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3ic1 h ILE 267 CO 0.05 0.17 0.06 0.40 0.00 0.00 0.00 178.15 178.83 3ic1 h ILE 268 N 0.83 0.90 -0.20 -0.67 2.04 -1.25 -0.46 117.51 118.71 3ic1 h ILE 268 Ca 0.22 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 3ic1 h ILE 268 Cb -0.06 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3ic1 h ILE 268 CO -0.05 0.03 -0.02 0.11 0.00 0.00 0.00 178.15 178.22 3ic1 h LYS 269 N 0.17 0.38 -0.45 2.37 1.57 -1.18 -1.70 116.57 117.73 3ic1 h LYS 269 Ca 0.11 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3ic1 h LYS 269 Cb 0.10 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3ic1 h LYS 269 CO -0.14 0.60 0.25 1.96 -0.57 0.00 0.00 179.45 181.55 3ic1 h GLN 270 N 0.11 0.48 -0.67 3.15 4.20 -1.16 -1.27 115.11 119.95 3ic1 h GLN 270 Ca 0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3ic1 h GLN 270 Cb 0.45 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3ic1 h GLN 270 CO 0.02 0.31 0.16 -0.22 -0.67 0.00 0.00 178.83 178.43 3ic1 h LYS 271 N 0.49 1.08 -0.38 1.46 1.63 -0.94 -0.14 116.57 119.77 3ic1 h LYS 271 Ca 0.19 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3ic1 h LYS 271 Cb 0.06 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 3ic1 h LYS 271 CO -0.11 0.96 0.14 0.28 -3.45 0.00 0.00 179.45 177.27 3ic1 h VAL 272 N 1.01 1.20 -0.70 2.00 2.07 -1.03 -1.93 116.25 118.87 3ic1 h VAL 272 Ca 0.21 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3ic1 h VAL 272 Cb 0.37 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3ic1 h VAL 272 CO 0.00 0.22 0.45 0.00 0.02 0.00 0.00 177.57 178.27 3ic1 h ALA 273 N 0.98 0.91 -0.64 1.67 0.00 -0.85 -2.17 119.26 119.15 3ic1 h ALA 273 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ic1 h ALA 273 Cb 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ic1 h ALA 273 CO -0.01 0.26 0.40 0.93 0.00 0.00 0.00 179.25 180.83 3ic1 h GLU 274 N 0.90 0.76 -0.51 0.00 5.08 -0.70 -1.57 114.58 118.54 3ic1 h GLU 274 Ca 0.27 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3ic1 h GLU 274 Cb -0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3ic1 h GLU 274 CO -0.09 0.50 0.12 0.52 -1.00 0.00 0.00 179.01 179.07 3ic1 h MET 275 N 0.79 0.82 -0.44 2.33 2.86 -0.77 -2.43 114.93 118.08 3ic1 h MET 275 Ca 0.26 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3ic1 h MET 275 Cb 0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3ic1 h MET 275 CO -0.10 0.78 0.27 -0.07 1.06 0.00 0.00 176.91 178.85 3ic1 h LEU 276 N 0.71 0.45 -0.72 1.22 3.38 -1.19 -3.03 115.31 116.13 3ic1 h LEU 276 Ca 0.16 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3ic1 h LEU 276 Cb 0.34 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3ic1 h LEU 276 CO 0.00 0.32 0.39 -0.33 0.09 0.00 0.00 178.44 178.91 3ic1 h GLU 277 N 0.55 0.67 -0.05 1.13 5.08 -1.07 -1.59 114.58 119.30 3ic1 h GLU 277 Ca 0.17 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3ic1 h GLU 277 Cb -0.01 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3ic1 h GLU 277 CO -0.07 0.44 0.12 0.87 -1.00 0.00 0.00 179.01 179.37 3ic1 h LYS 278 N 0.69 0.00 -0.55 2.33 1.57 -1.31 -1.37 116.57 117.93 3ic1 h LYS 278 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3ic1 h LYS 278 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ic1 h LYS 278 CO -0.22 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.38 3ic1 n HIS 279 N -3.33 0.77 -4.22 -1.35 8.25 -0.61 -4.98 115.22 109.74 3ic1 n HIS 279 Ca -0.02 -0.51 -0.32 0.00 -0.26 0.00 0.00 57.72 56.61 3ic1 n HIS 279 Cb 0.20 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 3ic1 n HIS 279 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ic1 n ASN 280 N 1.09 -0.63 -4.81 0.41 5.15 -0.52 -4.94 115.26 111.01 3ic1 n ASN 280 Ca 0.19 -1.14 -0.38 0.00 -0.60 0.00 0.00 54.58 52.64 3ic1 n ASN 280 Cb 0.55 -2.26 -0.06 0.00 -0.53 0.00 0.00 39.78 37.48 3ic1 n ASN 280 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ic1 s LEU 281 N -7.22 4.48 -0.17 1.20 1.43 -1.18 -5.05 118.68 112.17 3ic1 s LEU 281 Ca 0.26 1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 54.25 3ic1 s LEU 281 Cb -0.15 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 3ic1 s LEU 281 CO 0.96 0.26 0.68 -0.54 0.23 0.00 0.00 176.35 177.93 3ic1 s LYS 282 N -0.88 4.27 0.10 1.70 1.02 -1.26 -4.83 119.74 119.85 3ic1 s LYS 282 Ca 0.27 0.74 -0.20 0.00 0.02 0.00 0.00 55.97 56.80 3ic1 s LYS 282 Cb -0.18 -3.55 0.05 0.00 -0.52 0.00 0.00 37.83 33.62 3ic1 s LYS 282 CO 0.16 -0.21 0.48 1.52 -0.92 0.00 0.00 175.35 176.39 3ic1 s TYR 283 N 1.78 -0.35 0.10 3.18 -0.85 -1.26 -0.36 117.35 119.57 3ic1 s TYR 283 Ca 0.32 0.21 0.08 0.00 -0.52 0.00 0.00 57.07 57.16 3ic1 s TYR 283 Cb -0.16 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.49 3ic1 s TYR 283 CO 0.12 -0.70 -0.21 -0.98 -1.52 0.00 0.00 175.55 172.25 3ic1 s ARG 284 N -3.23 1.16 -0.02 -3.49 1.70 -0.77 -4.99 118.95 109.31 3ic1 s ARG 284 Ca -0.01 -1.15 -0.00 0.00 -0.47 0.00 0.00 55.73 54.10 3ic1 s ARG 284 Cb 0.00 -1.42 0.03 0.00 -0.57 0.00 0.00 34.95 32.99 3ic1 s ARG 284 CO -0.08 0.33 0.04 -1.50 -1.08 0.00 0.00 175.30 173.02 3ic1 s ILE 285 N -1.12 -0.05 -0.09 4.99 2.07 -1.26 -0.82 121.20 124.91 3ic1 s ILE 285 Ca 0.07 0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.53 3ic1 s ILE 285 Cb -0.10 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 3ic1 s ILE 285 CO 0.04 0.08 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.35 3ic1 s GLU 286 N 0.98 2.92 -0.05 3.50 2.02 -0.46 -4.97 118.70 122.64 3ic1 s GLU 286 Ca -0.08 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3ic1 s GLU 286 Cb -0.11 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 3ic1 s GLU 286 CO -0.03 0.32 -0.13 -1.58 0.02 0.00 0.00 175.26 173.86 3ic1 s TRP 287 N 0.02 2.74 -0.28 1.61 0.52 -1.26 -0.68 118.94 121.62 3ic1 s TRP 287 Ca -0.07 -0.14 0.01 0.00 0.02 0.00 0.00 56.10 55.92 3ic1 s TRP 287 Cb -0.15 -1.65 0.08 0.00 -1.15 0.00 0.00 33.47 30.60 3ic1 s TRP 287 CO 0.05 0.20 0.02 1.21 0.02 0.00 0.00 176.95 178.45 3ic1 s ASN 288 N -0.72 4.01 -0.46 2.95 2.47 0.29 -4.97 114.94 118.51 3ic1 s ASN 288 Ca 0.11 -1.48 -0.21 0.00 0.42 0.00 0.00 52.86 51.70 3ic1 s ASN 288 Cb -0.11 -1.13 0.03 0.00 -1.45 0.00 0.00 41.25 38.60 3ic1 s ASN 288 CO 0.01 -0.32 0.68 -0.22 -3.72 0.00 0.00 177.10 173.52 3ic1 s LEU 289 N 1.40 4.53 -0.22 3.21 2.96 -1.26 -0.75 118.68 128.56 3ic1 s LEU 289 Ca 0.03 -0.44 0.11 0.00 -0.22 0.00 0.00 54.13 53.61 3ic1 s LEU 289 Cb -0.18 -2.70 -0.22 0.00 0.50 0.00 0.00 46.19 43.59 3ic1 s LEU 289 CO -0.12 -0.86 -0.02 -1.54 -1.32 0.00 0.00 176.35 172.49 3ic1 n SER 290 N 6.40 0.81 -3.88 3.68 3.41 -0.71 -5.01 113.62 118.32 3ic1 n SER 290 Ca -0.02 -0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.44 3ic1 n SER 290 Cb 0.47 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 3ic1 n SER 290 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ic1 s GLY 291 N -5.87 0.05 0.13 5.00 0.00 -0.96 -4.40 107.32 101.27 3ic1 s GLY 291 Ca -0.19 -0.12 0.06 0.00 0.00 0.00 0.00 44.72 44.46 3ic1 s GLY 291 CO 0.74 -0.24 0.01 0.54 0.00 0.00 0.00 173.10 174.16 3ic1 s LYS 292 N -1.21 2.52 0.76 2.90 1.02 -0.33 -0.70 119.74 124.70 3ic1 s LYS 292 Ca -0.13 -0.96 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 3ic1 s LYS 292 Cb -0.07 -2.47 0.05 0.00 -0.52 0.00 0.00 37.83 34.82 3ic1 s LYS 292 CO 0.01 0.50 1.11 -1.25 -0.92 0.00 0.00 175.35 174.79 3ic1 s PRO 293 N -2.66 2.26 0.00 -1.68 0.04 -1.26 -4.20 135.00 127.50 3ic1 s PRO 293 Ca 0.27 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 3ic1 s PRO 293 Cb -0.11 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3ic1 s PRO 293 CO 0.19 -1.65 0.14 -0.59 0.04 0.00 0.00 177.00 175.12 3ic1 s PHE 294 N -2.71 0.04 -0.21 0.56 -0.12 -0.64 -4.87 117.98 110.02 3ic1 s PHE 294 Ca 0.63 -0.12 -0.04 0.00 -0.05 0.00 0.00 56.93 57.36 3ic1 s PHE 294 Cb -0.19 -0.04 0.08 0.00 -0.63 0.00 0.00 43.02 42.24 3ic1 s PHE 294 CO 0.52 -0.28 0.16 -1.17 -0.05 0.00 0.00 175.22 174.40 3ic1 s LEU 295 N -1.34 0.16 -0.44 -1.99 2.96 -1.25 -2.04 118.68 114.73 3ic1 s LEU 295 Ca -0.14 -0.59 -0.27 0.00 -0.22 0.00 0.00 54.13 52.91 3ic1 s LEU 295 Cb -0.07 0.03 0.03 0.00 0.50 0.00 0.00 46.19 46.67 3ic1 s LEU 295 CO 0.02 -0.36 1.02 -0.89 -1.32 0.00 0.00 176.35 174.81 3ic1 s THR 296 N 2.22 4.40 0.69 3.68 2.01 0.64 -5.01 115.64 124.27 3ic1 s THR 296 Ca 0.06 1.08 -0.08 0.00 0.31 0.00 0.00 61.69 63.06 3ic1 s THR 296 Cb -0.16 -4.48 0.04 0.00 0.01 0.00 0.00 72.50 67.92 3ic1 s THR 296 CO -0.17 -0.82 1.01 -0.54 -0.69 0.00 0.00 174.62 173.42 3ic1 s LYS 297 N 3.96 2.43 0.28 4.92 -0.14 -1.26 -4.93 119.74 125.00 3ic1 s LYS 297 Ca 0.42 -0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.68 3ic1 s LYS 297 Cb -0.09 -2.15 -0.14 0.00 -1.68 0.00 0.00 37.83 33.76 3ic1 s LYS 297 CO 0.26 -1.12 1.07 -2.30 -0.76 0.00 0.00 175.35 172.50 3ic1 n PRO 298 N -2.89 1.43 -3.86 -1.68 -0.02 -1.26 -4.53 135.00 122.18 3ic1 n PRO 298 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3ic1 n PRO 298 Cb 0.59 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3ic1 n PRO 298 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ic1 n GLY 299 N 1.31 -0.85 0.38 -1.23 0.00 -1.26 -4.96 105.19 98.57 3ic1 n GLY 299 Ca 0.10 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 3ic1 n GLY 299 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ic1 h LYS 300 N 0.13 -0.37 0.26 1.61 3.64 -1.98 0.13 116.57 119.99 3ic1 h LYS 300 Ca 0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3ic1 h LYS 300 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3ic1 h LYS 300 CO 0.00 -0.25 -0.13 1.25 -2.27 0.00 0.00 179.45 178.05 3ic1 h LEU 301 N -0.39 -0.30 -1.00 5.20 5.85 -1.95 -0.42 115.31 122.30 3ic1 h LEU 301 Ca 0.11 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3ic1 h LEU 301 Cb 0.59 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3ic1 h LEU 301 CO -0.47 -0.04 0.02 0.25 -0.34 0.00 0.00 178.44 177.86 3ic1 h LEU 302 N -0.55 0.70 -0.68 2.25 5.85 -1.76 -2.23 115.31 118.89 3ic1 h LEU 302 Ca -0.04 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 3ic1 h LEU 302 Cb 0.41 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3ic1 h LEU 302 CO 0.06 0.76 -0.08 0.44 -0.34 0.00 0.00 178.44 179.27 3ic1 h ASP 303 N 0.70 0.93 -0.94 1.25 3.32 -0.68 -1.72 116.42 119.28 3ic1 h ASP 303 Ca 0.14 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3ic1 h ASP 303 Cb 0.40 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 3ic1 h ASP 303 CO 0.01 1.04 0.58 0.77 -1.72 0.00 0.00 179.24 179.92 3ic1 h SER 304 N 0.85 1.12 0.16 6.45 4.64 -0.45 0.91 113.55 127.22 3ic1 h SER 304 Ca 0.14 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 61.13 3ic1 h SER 304 Cb 0.62 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3ic1 h SER 304 CO 0.04 0.84 -1.30 -0.29 -0.87 0.00 0.00 176.83 175.25 3ic1 h ILE 305 N 1.29 1.20 -0.34 0.95 6.09 -1.51 -1.93 117.51 123.26 3ic1 h ILE 305 Ca 0.34 -2.51 0.06 0.00 -1.37 0.00 0.00 64.86 61.39 3ic1 h ILE 305 Cb -0.08 2.92 -0.06 0.00 0.47 0.00 0.00 36.82 40.07 3ic1 h ILE 305 CO -0.07 0.75 -0.01 0.74 -3.07 0.00 0.00 178.15 176.49 3ic1 h THR 306 N -0.19 0.74 -0.72 2.19 2.02 -1.28 -0.56 112.91 115.11 3ic1 h THR 306 Ca -0.26 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 3ic1 h THR 306 Cb 1.85 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 3ic1 h THR 306 CO 0.14 0.02 0.19 0.28 0.37 0.00 0.00 175.52 176.52 3ic1 h SER 307 N 0.09 1.07 -0.99 4.18 0.02 -0.93 -1.19 113.55 115.81 3ic1 h SER 307 Ca 0.17 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3ic1 h SER 307 Cb 0.23 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 3ic1 h SER 307 CO -0.29 1.02 0.64 0.00 -1.14 0.00 0.00 176.83 177.06 3ic1 h ALA 308 N 1.12 1.39 0.05 3.77 0.00 -0.61 0.13 119.26 125.09 3ic1 h ALA 308 Ca 0.23 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 3ic1 h ALA 308 Cb 0.35 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ic1 h ALA 308 CO -0.00 0.49 -1.10 0.82 0.00 0.00 0.00 179.25 179.46 3ic1 h ILE 309 N 1.21 1.29 -0.76 0.00 2.04 -0.93 -2.19 117.51 118.16 3ic1 h ILE 309 Ca 0.41 -2.32 0.01 0.00 1.00 0.00 0.00 64.86 63.96 3ic1 h ILE 309 Cb 0.08 2.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3ic1 h ILE 309 CO -0.14 0.71 0.50 -0.33 0.00 0.00 0.00 178.15 178.88 3ic1 h GLU 310 N 0.33 0.98 0.07 2.37 5.08 -0.94 -1.58 114.58 120.90 3ic1 h GLU 310 Ca -0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3ic1 h GLU 310 Cb 1.76 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.79 3ic1 h GLU 310 CO 0.21 0.65 -0.03 0.93 -1.00 0.00 0.00 179.01 179.77 3ic1 h GLU 311 N 1.01 -0.09 0.11 2.33 5.08 -0.70 -1.71 114.58 120.60 3ic1 h GLU 311 Ca 0.28 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3ic1 h GLU 311 Cb -0.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3ic1 h GLU 311 CO -0.07 0.12 -0.05 1.15 -1.00 0.00 0.00 179.01 179.16 3ic1 h THR 312 N -0.30 1.09 -0.00 1.13 2.02 -1.36 -3.40 112.91 112.10 3ic1 h THR 312 Ca -0.01 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3ic1 h THR 312 Cb 0.26 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3ic1 h THR 312 CO 0.02 0.27 -0.20 2.30 0.37 0.00 0.00 175.52 178.28 3ic1 n ILE 313 N -4.89 0.00 -1.73 3.11 -5.35 -0.60 -5.03 119.36 104.88 3ic1 n ILE 313 Ca -0.08 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 3ic1 n ILE 313 Cb 0.28 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 3ic1 n ILE 313 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ic1 n GLY 314 N 0.90 0.41 3.21 3.28 0.00 -0.64 -5.02 105.19 107.33 3ic1 n GLY 314 Ca 0.02 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 3ic1 n GLY 314 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ic1 s ILE 315 N -2.00 1.26 -0.23 -0.61 2.07 -1.26 -5.01 121.20 115.42 3ic1 s ILE 315 Ca 0.00 -1.45 -0.05 0.00 -1.41 0.00 0.00 60.65 57.74 3ic1 s ILE 315 Cb 0.00 -1.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.31 3ic1 s ILE 315 CO 0.00 -0.25 0.01 -0.89 -1.91 0.00 0.00 174.94 171.90 3ic1 s THR 316 N -1.49 3.80 0.19 4.00 2.01 -1.26 -3.18 115.64 119.72 3ic1 s THR 316 Ca 0.02 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 3ic1 s THR 316 Cb -0.09 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.58 3ic1 s THR 316 CO 0.03 0.38 1.32 -2.16 -0.69 0.00 0.00 174.62 173.50 3ic1 s PRO 317 N 1.54 4.38 0.30 4.92 0.04 -1.21 -4.82 135.00 140.15 3ic1 s PRO 317 Ca 0.06 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 3ic1 s PRO 317 Cb -0.15 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 3ic1 s PRO 317 CO -0.00 -0.27 0.88 -1.59 0.04 0.00 0.00 177.00 176.06 3ic1 s LYS 318 N 0.01 4.47 -0.13 4.56 -2.85 -0.69 -4.78 119.74 120.33 3ic1 s LYS 318 Ca 0.57 1.19 -0.25 0.00 -1.00 0.00 0.00 55.97 56.48 3ic1 s LYS 318 Cb -0.37 -2.79 -0.02 0.00 -2.06 0.00 0.00 37.83 32.59 3ic1 s LYS 318 CO 0.37 0.30 0.81 0.00 0.10 0.00 0.00 175.35 176.94 3ic1 s ALA 319 N -1.62 3.45 0.10 0.59 0.00 -1.26 -1.50 121.76 121.52 3ic1 s ALA 319 Ca 0.49 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.59 3ic1 s ALA 319 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3ic1 s ALA 319 CO 0.22 -0.49 -0.12 -1.21 0.00 0.00 0.00 175.76 174.16 3ic1 s GLU 320 N 1.76 0.91 -0.03 0.00 2.02 -0.10 -4.93 118.70 118.34 3ic1 s GLU 320 Ca 0.39 -1.16 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 3ic1 s GLU 320 Cb -0.17 -0.73 -0.04 0.00 0.10 0.00 0.00 34.13 33.29 3ic1 s GLU 320 CO 0.15 0.13 0.05 0.99 0.02 0.00 0.00 175.26 176.61 3ic1 s THR 321 N -2.12 4.59 0.00 3.63 2.01 -1.26 -1.04 115.64 121.44 3ic1 s THR 321 Ca 0.06 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3ic1 s THR 321 Cb -0.05 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.41 3ic1 s THR 321 CO 0.02 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 3ic1 n GLY 322 N 1.46 -0.53 0.00 4.40 0.00 -0.65 -4.98 105.19 104.90 3ic1 n GLY 322 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3ic1 n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic1 n GLY 323 N 0.00 -1.08 7.00 -0.02 0.00 -1.26 -4.98 105.19 104.85 3ic1 n GLY 323 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3ic1 n GLY 323 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic1 n GLY 324 N 0.97 1.20 3.12 -0.02 0.00 -1.26 -4.86 105.19 104.34 3ic1 n GLY 324 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 3ic1 n GLY 324 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ic1 s THR 325 N 0.00 0.54 0.17 2.61 -4.23 -1.26 -5.17 115.64 108.31 3ic1 s THR 325 Ca 0.00 -1.67 -0.24 0.00 -1.18 0.00 0.00 61.69 58.60 3ic1 s THR 325 Cb 0.00 -1.34 0.06 0.00 1.34 0.00 0.00 72.50 72.55 3ic1 s THR 325 CO 0.00 -0.77 0.90 -0.94 -0.54 0.00 0.00 174.62 173.28 3ic1 s SER 326 N -2.62 -0.20 0.00 3.99 1.04 -1.26 -4.95 113.70 109.70 3ic1 s SER 326 Ca 0.05 -0.43 0.15 0.00 0.48 0.00 0.00 55.95 56.20 3ic1 s SER 326 Cb 0.02 0.54 0.45 0.00 0.10 0.00 0.00 66.02 67.12 3ic1 s SER 326 CO -0.04 -0.98 1.36 0.47 0.98 0.00 0.00 173.24 175.02 3ic1 n ASP 327 N -0.46 2.18 -0.26 7.02 8.00 -1.26 -4.54 116.55 127.23 3ic1 n ASP 327 Ca -0.06 -1.94 -0.01 0.00 0.71 0.00 0.00 54.79 53.49 3ic1 n ASP 327 Cb 0.60 -0.25 0.06 0.00 -0.02 0.00 0.00 41.12 41.52 3ic1 n ASP 327 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ic1 h GLY 328 N 5.05 0.30 2.00 0.44 0.00 -1.98 -1.52 103.07 107.36 3ic1 h GLY 328 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 3ic1 h GLY 328 CO 0.00 -0.26 -0.19 0.07 0.00 0.00 0.00 176.54 176.16 3ic1 h ARG 329 N -0.05 0.00 -0.08 4.80 0.11 -1.80 0.10 114.38 117.46 3ic1 h ARG 329 Ca 0.33 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.28 3ic1 h ARG 329 Cb 0.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 3ic1 h ARG 329 CO -0.79 0.19 -0.54 0.74 0.10 0.00 0.00 179.97 179.68 3ic1 h PHE 330 N 0.00 0.29 0.17 4.08 0.04 -1.49 -0.76 116.94 119.26 3ic1 h PHE 330 Ca -0.00 -0.10 -0.29 0.00 2.80 0.00 0.00 57.97 60.38 3ic1 h PHE 330 Cb 0.37 -0.06 0.02 0.00 2.20 0.00 0.00 35.95 38.48 3ic1 h PHE 330 CO 0.00 0.72 -1.31 0.82 -0.60 0.00 0.00 178.31 177.94 3ic1 h ILE 331 N 0.18 1.44 0.00 -0.55 2.04 -1.03 -3.20 117.51 116.39 3ic1 h ILE 331 Ca 0.00 -2.95 0.00 0.00 1.00 0.00 0.00 64.86 62.91 3ic1 h ILE 331 Cb 1.00 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.06 3ic1 h ILE 331 CO 0.08 0.87 0.00 0.00 0.00 0.00 0.00 178.15 179.10 3ic1 h ALA 332 N 0.45 1.00 -0.22 1.87 0.00 -0.69 -1.87 119.26 119.80 3ic1 h ALA 332 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3ic1 h ALA 332 Cb 2.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 3ic1 h ALA 332 CO 0.23 0.00 0.19 1.25 0.00 0.00 0.00 179.25 180.92 3ic1 h LEU 333 N 0.00 0.00 -1.92 0.00 5.85 -1.45 -1.94 115.31 115.85 3ic1 h LEU 333 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ic1 h LEU 333 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3ic1 h LEU 333 CO 0.00 0.00 0.00 1.15 -0.34 0.00 0.00 178.44 179.25 3ic1 n MET 334 N -4.12 2.28 -0.20 1.25 0.00 -0.70 -4.94 117.12 110.69 3ic1 n MET 334 Ca 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 57.70 55.82 3ic1 n MET 334 Cb 0.33 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.08 3ic1 n MET 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ic1 n GLY 335 N 1.38 0.65 3.65 3.17 0.00 -0.73 -4.84 105.19 108.48 3ic1 n GLY 335 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3ic1 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic1 n ALA 336 N -1.40 0.48 -2.45 4.61 0.00 -1.22 -4.93 120.51 115.60 3ic1 n ALA 336 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 3ic1 n ALA 336 Cb 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.22 3ic1 n ALA 336 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ic1 s GLU 337 N -2.88 4.18 -0.04 0.00 2.02 -0.43 -4.64 118.70 116.91 3ic1 s GLU 337 Ca 0.77 0.61 0.04 0.00 0.02 0.00 0.00 54.97 56.40 3ic1 s GLU 337 Cb -0.41 -3.29 -0.00 0.00 0.10 0.00 0.00 34.13 30.53 3ic1 s GLU 337 CO 0.46 0.51 -0.16 0.08 0.02 0.00 0.00 175.26 176.17 3ic1 s VAL 338 N -0.61 1.34 0.17 2.63 1.01 -1.26 -0.87 120.40 122.82 3ic1 s VAL 338 Ca 0.28 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3ic1 s VAL 338 Cb -0.18 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3ic1 s VAL 338 CO 0.16 0.39 -0.04 0.68 0.00 0.00 0.00 175.10 176.29 3ic1 s VAL 339 N 0.07 0.93 0.00 2.92 -7.23 -0.26 -4.47 120.40 112.37 3ic1 s VAL 339 Ca -0.04 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 3ic1 s VAL 339 Cb -0.11 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 3ic1 s VAL 339 CO 0.02 -0.57 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.58 3ic1 s GLU 340 N -3.84 0.42 -0.13 4.82 2.02 -0.63 -1.02 118.70 120.35 3ic1 s GLU 340 Ca 0.21 -0.24 -0.24 0.00 0.02 0.00 0.00 54.97 54.73 3ic1 s GLU 340 Cb 0.05 -0.38 0.06 0.00 0.10 0.00 0.00 34.13 33.95 3ic1 s GLU 340 CO 0.03 0.10 0.59 0.12 0.02 0.00 0.00 175.26 176.12 3ic1 s PHE 341 N -0.24 -0.58 -0.01 1.61 5.36 -0.78 -1.84 117.98 121.49 3ic1 s PHE 341 Ca 0.01 1.22 -0.05 0.00 -0.96 0.00 0.00 56.93 57.15 3ic1 s PHE 341 Cb -0.03 0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.94 3ic1 s PHE 341 CO -0.00 -0.44 0.21 0.41 -1.46 0.00 0.00 175.22 173.94 3ic1 n GLY 342 N 1.82 0.39 3.51 13.12 0.00 -1.11 -4.14 105.19 118.78 3ic1 n GLY 342 Ca -0.17 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 3ic1 n GLY 342 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ic1 s PRO 343 N -2.00 -1.32 0.24 1.61 0.02 -1.26 -2.75 135.00 129.54 3ic1 s PRO 343 Ca 0.05 0.31 -0.30 0.00 0.02 0.00 0.00 61.00 61.08 3ic1 s PRO 343 Cb -0.00 -1.55 -0.15 0.00 0.02 0.00 0.00 34.50 32.82 3ic1 s PRO 343 CO -0.00 -3.85 1.03 1.28 -0.33 0.00 0.00 177.00 175.13 3ic1 n LEU 344 N -4.93 1.49 -0.58 -5.54 4.32 -1.26 -2.06 117.00 108.44 3ic1 n LEU 344 Ca 0.09 1.16 0.06 0.00 -0.02 0.00 0.00 56.01 57.30 3ic1 n LEU 344 Cb 0.58 -1.24 0.10 0.00 -1.62 0.00 0.00 43.42 41.25 3ic1 n LEU 344 CO 0.50 -1.47 0.54 -0.46 -1.22 0.00 0.00 177.39 175.28 3ic1 n ASN 345 N 1.58 2.48 0.25 -1.43 0.23 -0.45 -4.70 115.26 113.22 3ic1 n ASN 345 Ca 0.12 -1.74 0.14 0.00 -0.53 0.00 0.00 54.58 52.57 3ic1 n ASN 345 Cb 0.29 -0.12 0.61 0.00 -2.08 0.00 0.00 39.78 38.48 3ic1 n ASN 345 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3ic1 h SER 346 N 2.29 0.00 -0.40 0.53 4.64 -1.86 -2.40 113.55 116.35 3ic1 h SER 346 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ic1 h SER 346 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3ic1 h SER 346 CO 0.00 0.12 0.00 0.35 -0.87 0.00 0.00 176.83 176.43 3ic1 n THR 347 N -3.30 0.52 -2.34 2.95 -2.24 -1.26 -5.00 114.28 103.61 3ic1 n THR 347 Ca -0.00 -0.71 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 3ic1 n THR 347 Cb 0.34 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 3ic1 n THR 347 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3ic1 s ILE 348 N -1.48 3.29 -1.86 2.28 -4.36 -0.91 -2.76 121.20 115.41 3ic1 s ILE 348 Ca 0.39 0.92 0.00 0.00 -0.26 0.00 0.00 60.65 61.69 3ic1 s ILE 348 Cb 0.22 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.49 3ic1 s ILE 348 CO 0.31 -0.07 0.00 1.41 0.24 0.00 0.00 174.94 176.83 3ic1 n HIS 349 N -0.65 -0.81 -4.27 1.37 8.25 -1.26 -4.97 115.22 112.88 3ic1 n HIS 349 Ca 0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.39 3ic1 n HIS 349 Cb 0.49 -3.85 -0.10 0.00 1.12 0.00 0.00 29.99 27.65 3ic1 n HIS 349 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3ic1 s LYS 350 N -4.78 1.19 0.45 -0.41 1.02 -1.11 -5.11 119.74 110.99 3ic1 s LYS 350 Ca 0.00 -1.59 -0.25 0.00 0.02 0.00 0.00 55.97 54.15 3ic1 s LYS 350 Cb 0.00 -0.35 -0.08 0.00 -0.52 0.00 0.00 37.83 36.88 3ic1 s LYS 350 CO 0.00 -0.14 1.40 0.54 -0.92 0.00 0.00 175.35 176.23 3ic1 s VAL 351 N -3.61 2.19 -1.46 3.17 0.11 -1.26 -2.81 120.40 116.73 3ic1 s VAL 351 Ca 0.26 0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 59.46 3ic1 s VAL 351 Cb 0.06 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 3ic1 s VAL 351 CO 0.06 0.02 0.31 0.59 -3.33 0.00 0.00 175.10 172.75 3ic1 n ASN 352 N -0.19 -5.50 -4.64 3.54 3.02 -1.26 -4.94 115.26 105.30 3ic1 n ASN 352 Ca 0.05 -0.15 -0.46 0.00 -0.03 0.00 0.00 54.58 53.99 3ic1 n ASN 352 Cb 0.42 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.13 3ic1 n ASN 352 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ic1 n GLU 353 N -3.27 1.74 -3.89 3.52 2.13 -1.12 -4.86 120.64 114.89 3ic1 n GLU 353 Ca -0.15 0.62 -0.11 0.00 0.66 0.00 0.00 57.16 58.18 3ic1 n GLU 353 Cb 0.63 -2.23 0.01 0.00 0.27 0.00 0.00 31.44 30.12 3ic1 n GLU 353 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ic1 s VAL 355 N -2.41 0.00 0.08 0.00 0.11 -0.14 -4.22 120.40 113.82 3ic1 s VAL 355 Ca 0.20 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.94 3ic1 s VAL 355 Cb -0.04 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.74 3ic1 s VAL 355 CO 0.14 0.00 1.36 -0.55 -3.33 0.00 0.00 175.10 172.73 3ic1 s SER 356 N 0.31 6.87 0.21 3.54 0.15 -1.26 -0.17 113.70 123.35 3ic1 s SER 356 Ca -0.00 2.23 -0.03 0.00 0.70 0.00 0.00 55.95 58.84 3ic1 s SER 356 Cb -0.05 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.87 3ic1 s SER 356 CO 0.01 -0.64 1.59 -0.37 1.20 0.00 0.00 173.24 175.03 3ic1 h VAL 357 N 4.46 1.29 -0.59 4.45 -1.51 -1.83 -0.54 116.25 121.96 3ic1 h VAL 357 Ca -0.41 -1.48 0.02 0.00 -1.23 0.00 0.00 66.70 63.60 3ic1 h VAL 357 Cb 1.20 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 31.74 3ic1 h VAL 357 CO 0.87 0.48 0.38 -0.08 -1.23 0.00 0.00 177.57 177.98 3ic1 h GLU 358 N 0.57 0.73 -0.91 5.19 4.57 -1.92 -0.84 114.58 121.96 3ic1 h GLU 358 Ca 0.06 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3ic1 h GLU 358 Cb 0.85 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 3ic1 h GLU 358 CO 0.07 0.49 0.60 -0.44 -1.18 0.00 0.00 179.01 178.55 3ic1 h ASP 359 N 0.76 0.99 -0.64 1.04 5.19 -1.83 0.85 116.42 122.77 3ic1 h ASP 359 Ca 0.23 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 3ic1 h ASP 359 Cb -0.03 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.22 3ic1 h ASP 359 CO -0.08 0.68 0.37 -0.07 -3.12 0.00 0.00 179.24 177.03 3ic1 h LEU 360 N 1.15 0.77 0.19 1.55 3.38 -0.39 0.39 115.31 122.35 3ic1 h LEU 360 Ca 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3ic1 h LEU 360 Cb 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3ic1 h LEU 360 CO -0.11 0.62 -0.09 1.23 0.09 0.00 0.00 178.44 180.18 3ic1 h GLY 361 N 0.86 -0.26 0.71 0.83 0.00 -0.61 -1.61 103.07 102.99 3ic1 h GLY 361 Ca 0.23 0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.72 3ic1 h GLY 361 CO -0.04 -0.10 0.53 0.50 0.00 0.00 0.00 176.54 177.44 3ic1 h LYS 362 N -0.25 0.94 -0.35 4.80 1.57 -0.49 -1.63 116.57 121.15 3ic1 h LYS 362 Ca -0.03 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3ic1 h LYS 362 Cb 0.19 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3ic1 h LYS 362 CO 0.04 0.62 0.16 0.00 -0.57 0.00 0.00 179.45 179.71 3ic1 h GLY 364 N 0.34 1.66 1.03 0.00 0.00 -0.39 -0.45 103.07 105.26 3ic1 h GLY 364 Ca 0.15 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 3ic1 h GLY 364 CO -0.12 0.08 -0.33 0.83 0.00 0.00 0.00 176.54 177.00 3ic1 h GLU 365 N 0.89 0.79 -0.23 4.80 4.39 -0.61 -2.16 114.58 122.46 3ic1 h GLU 365 Ca 0.52 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3ic1 h GLU 365 Cb 0.62 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3ic1 h GLU 365 CO -0.31 1.05 0.12 0.82 -1.16 0.00 0.00 179.01 179.54 3ic1 h ILE 366 N 0.57 1.12 -0.73 3.13 2.04 -0.35 0.62 117.51 123.91 3ic1 h ILE 366 Ca 0.05 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3ic1 h ILE 366 Cb 0.91 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3ic1 h ILE 366 CO 0.08 0.12 0.25 1.88 0.00 0.00 0.00 178.15 180.48 3ic1 h TYR 367 N 0.25 1.16 0.29 1.37 0.05 -1.07 -0.20 116.97 118.83 3ic1 h TYR 367 Ca 0.08 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3ic1 h TYR 367 Cb 0.09 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.49 3ic1 h TYR 367 CO -0.03 0.91 -0.14 1.25 -1.05 0.00 0.00 178.16 179.10 3ic1 h HIS 368 N 1.07 -0.37 -0.72 4.88 2.76 -1.19 -1.99 115.15 119.60 3ic1 h HIS 368 Ca 0.24 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.53 3ic1 h HIS 368 Cb 0.28 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 3ic1 h HIS 368 CO 0.02 -0.18 0.48 0.87 -1.30 0.00 0.00 177.93 177.82 3ic1 h LYS 369 N -0.46 0.45 -0.50 5.26 1.79 -0.72 -1.04 116.57 121.35 3ic1 h LYS 369 Ca -0.04 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 3ic1 h LYS 369 Cb 0.35 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 3ic1 h LYS 369 CO 0.07 0.29 0.05 1.98 -1.08 0.00 0.00 179.45 180.77 3ic1 h MET 370 N 0.46 0.85 -0.70 3.15 4.05 -0.68 0.18 114.93 122.23 3ic1 h MET 370 Ca 0.34 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3ic1 h MET 370 Cb 0.70 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 3ic1 h MET 370 CO -0.11 0.86 0.44 -0.07 0.23 0.00 0.00 176.91 178.26 3ic1 h LEU 371 N 0.72 0.83 -0.54 3.39 3.38 -0.49 -0.72 115.31 121.88 3ic1 h LEU 371 Ca 0.15 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ic1 h LEU 371 Cb 0.44 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ic1 h LEU 371 CO 0.02 0.63 0.04 0.58 0.09 0.00 0.00 178.44 179.79 3ic1 h VAL 372 N 0.96 1.26 -0.32 1.22 2.07 -0.88 -1.49 116.25 119.06 3ic1 h VAL 372 Ca 0.25 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3ic1 h VAL 372 Cb -0.06 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3ic1 h VAL 372 CO -0.05 0.37 0.11 0.78 0.02 0.00 0.00 177.57 178.81 3ic1 h ASN 373 N 0.80 0.46 0.07 0.57 2.35 -0.51 -3.27 115.58 116.04 3ic1 h ASN 373 Ca 0.16 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ic1 h ASN 373 Cb 0.48 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3ic1 h ASN 373 CO 0.02 0.52 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.22 3ic1 h LEU 374 N 0.36 -0.08 0.00 1.61 3.38 -1.01 -3.43 115.31 116.15 3ic1 h LEU 374 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ic1 h LEU 374 Cb 0.22 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ic1 h LEU 374 CO -0.01 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.82 3ic1 n LEU 375 N -5.04 0.00 0.00 1.67 4.77 -0.57 -5.10 117.00 112.72 3ic1 n LEU 375 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3ic1 n LEU 375 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3ic1 n LEU 375 CO 0.33 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.86