#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ist n ASN -1 N 0.00 2.72 -1.31 -3.46 2.85 -1.26 -4.48 115.26 110.32 3ist n ASN -1 Ca 0.00 -1.82 0.00 0.00 -0.11 0.00 0.00 54.58 52.65 3ist n ASN -1 Cb 0.00 -0.17 0.00 0.00 1.24 0.00 0.00 39.78 40.85 3ist n ASN -1 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ist n ALA 0 N 0.75 1.86 0.00 5.20 0.00 -1.26 -4.71 120.51 122.35 3ist n ALA 0 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ist n ALA 0 Cb 0.41 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3ist n ALA 0 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ist n LYS 2 N 1.23 0.00 -4.62 0.00 4.76 -1.26 -5.15 118.16 113.12 3ist n LYS 2 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 3ist n LYS 2 Cb 0.12 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.19 3ist n LYS 2 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3ist s GLN 3 N 0.00 2.55 0.47 1.97 -0.21 -1.26 -5.08 119.66 118.09 3ist s GLN 3 Ca 0.00 -0.69 -0.16 0.00 0.02 0.00 0.00 55.36 54.53 3ist s GLN 3 Cb 0.00 -2.47 -0.08 0.00 1.00 0.00 0.00 33.01 31.46 3ist s GLN 3 CO 0.00 0.62 0.93 0.00 -2.12 0.00 0.00 175.29 174.71 3ist s ALA 4 N -0.88 3.13 -0.16 6.09 0.00 -1.26 -4.58 121.76 124.11 3ist s ALA 4 Ca 0.14 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 3ist s ALA 4 Cb -0.11 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3ist s ALA 4 CO 0.04 -0.11 0.68 0.42 0.00 0.00 0.00 175.76 176.79 3ist s ILE 5 N -2.48 5.01 0.15 0.00 1.01 -0.10 -0.10 121.20 124.68 3ist s ILE 5 Ca 0.58 1.32 -0.17 0.00 0.00 0.00 0.00 60.65 62.38 3ist s ILE 5 Cb -0.10 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 3ist s ILE 5 CO 0.28 0.14 0.59 -0.83 0.00 0.00 0.00 174.94 175.12 3ist s GLY 6 N 1.06 2.54 -0.03 6.18 0.00 -1.26 -1.28 107.32 114.54 3ist s GLY 6 Ca 0.32 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.04 3ist s GLY 6 CO 0.12 0.31 -0.08 -1.36 0.00 0.00 0.00 173.10 172.09 3ist s PHE 7 N -1.39 0.90 0.00 1.90 0.08 -0.19 -0.31 117.98 118.97 3ist s PHE 7 Ca 0.37 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 57.24 3ist s PHE 7 Cb -0.16 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.62 3ist s PHE 7 CO 0.20 -0.10 -0.14 0.96 -0.10 0.00 0.00 175.22 176.03 3ist s ILE 8 N 0.25 1.11 0.19 0.64 -4.36 -0.64 -0.60 121.20 117.78 3ist s ILE 8 Ca -0.04 -0.70 -0.23 0.00 -0.26 0.00 0.00 60.65 59.42 3ist s ILE 8 Cb -0.09 -0.95 0.05 0.00 1.25 0.00 0.00 42.46 42.73 3ist s ILE 8 CO 0.00 0.24 0.77 -0.62 0.24 0.00 0.00 174.94 175.57 3ist s ASP 9 N -0.53 -0.32 0.26 4.36 2.15 -0.81 -0.58 116.67 121.20 3ist s ASP 9 Ca 0.05 -0.34 0.25 0.00 0.43 0.00 0.00 52.55 52.93 3ist s ASP 9 Cb -0.06 0.60 0.95 0.00 -0.30 0.00 0.00 42.92 44.11 3ist s ASP 9 CO -0.00 -1.06 1.74 0.77 -0.17 0.00 0.00 175.17 176.45 3ist h SER 10 N 2.00 0.00 0.00 -0.34 4.64 -1.88 0.12 113.55 118.10 3ist h SER 10 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3ist h SER 10 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ist h SER 10 CO 0.28 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 3ist n GLY 11 N 0.37 1.14 0.04 -0.77 0.00 -1.26 -2.18 105.19 102.51 3ist n GLY 11 Ca 0.03 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.48 3ist n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ist n VAL 12 N 0.00 0.19 -0.28 1.61 0.24 -1.26 -4.37 118.33 114.46 3ist n VAL 12 Ca 0.00 -0.14 0.03 0.00 -2.04 0.00 0.00 64.34 62.20 3ist n VAL 12 Cb 0.00 -0.08 0.17 0.00 -1.47 0.00 0.00 33.84 32.45 3ist n VAL 12 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ist h GLY 13 N 4.76 1.25 1.65 7.63 0.00 -1.91 -1.12 103.07 115.34 3ist h GLY 13 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3ist h GLY 13 CO 0.00 0.10 0.16 -1.33 0.00 0.00 0.00 176.54 175.47 3ist h GLY 14 N 0.74 0.00 2.00 4.60 0.00 -1.77 -1.12 103.07 107.51 3ist h GLY 14 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 3ist h GLY 14 CO -0.26 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.63 3ist h LEU 15 N 0.00 0.00 -1.46 3.11 3.38 -1.51 -0.90 115.31 117.94 3ist h LEU 15 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3ist h LEU 15 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3ist h LEU 15 CO 0.00 0.06 -0.24 0.71 0.09 0.00 0.00 178.44 179.05 3ist h THR 16 N 0.00 0.80 0.24 0.22 1.35 -1.38 -0.41 112.91 113.73 3ist h THR 16 Ca -0.00 -0.97 -0.31 0.00 -0.55 0.00 0.00 66.41 64.58 3ist h THR 16 Cb 0.18 1.59 0.04 0.00 -1.73 0.00 0.00 68.15 68.23 3ist h THR 16 CO 0.01 0.24 -1.35 0.58 -0.25 0.00 0.00 175.52 174.74 3ist h VAL 17 N 0.00 1.33 -0.62 6.82 2.07 -1.37 -3.35 116.25 121.13 3ist h VAL 17 Ca -0.00 -2.67 0.09 0.00 0.82 0.00 0.00 66.70 64.94 3ist h VAL 17 Cb 0.57 3.08 -0.07 0.00 -1.52 0.00 0.00 31.29 33.35 3ist h VAL 17 CO 0.03 0.79 0.26 0.58 0.02 0.00 0.00 177.57 179.25 3ist h VAL 18 N 0.05 0.80 -0.88 2.57 2.07 -0.94 -1.53 116.25 118.39 3ist h VAL 18 Ca -0.24 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.24 3ist h VAL 18 Cb 2.07 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 3ist h VAL 18 CO 0.25 0.08 0.52 -0.09 0.02 0.00 0.00 177.57 178.36 3ist h ARG 19 N 0.45 0.81 0.00 1.57 2.43 -1.22 0.12 114.38 118.55 3ist h ARG 19 Ca 0.31 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.24 3ist h ARG 19 Cb 0.36 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3ist h ARG 19 CO -0.29 0.54 -0.89 0.93 -1.51 0.00 0.00 179.97 178.75 3ist h GLU 20 N 0.84 0.03 -0.56 0.20 4.39 -1.48 -2.82 114.58 115.17 3ist h GLU 20 Ca 0.44 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.06 3ist h GLU 20 Cb 0.44 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3ist h GLU 20 CO -0.27 0.90 0.22 0.28 -1.16 0.00 0.00 179.01 178.98 3ist h VAL 21 N 0.01 1.22 -0.66 3.13 2.07 -0.31 -0.04 116.25 121.68 3ist h VAL 21 Ca -0.02 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 66.90 3ist h VAL 21 Cb 1.56 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3ist h VAL 21 CO 0.12 0.27 0.44 -0.07 0.02 0.00 0.00 177.57 178.35 3ist h LEU 22 N 0.78 0.45 0.00 2.57 3.38 -0.70 0.14 115.31 121.92 3ist h LEU 22 Ca 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ist h LEU 22 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ist h LEU 22 CO -0.01 0.27 -0.00 0.50 0.09 0.00 0.00 178.44 179.29 3ist h LYS 23 N 0.50 -0.00 0.00 1.13 3.11 -1.23 -3.26 116.57 116.81 3ist h LYS 23 Ca 0.30 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.99 3ist h LYS 23 Cb 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 3ist h LYS 23 CO -0.10 0.91 -0.80 1.96 -2.81 0.00 0.00 179.45 178.61 3ist h GLN 24 N -0.93 0.00 -2.10 1.90 4.20 -0.86 -3.38 115.11 113.95 3ist h GLN 24 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 3ist h GLN 24 Cb 0.91 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.28 3ist h GLN 24 CO 0.00 0.62 -0.90 1.28 -0.67 0.00 0.00 178.83 179.16 3ist n LEU 25 N -3.21 2.04 0.20 1.46 4.77 0.47 -4.97 117.00 117.75 3ist n LEU 25 Ca -0.01 -5.13 0.14 0.00 -0.03 0.00 0.00 56.01 50.98 3ist n LEU 25 Cb 0.82 0.08 0.66 0.00 -2.33 0.00 0.00 43.42 42.65 3ist n LEU 25 CO 0.43 2.16 0.92 1.55 -1.33 0.00 0.00 177.39 181.11 3ist h PRO 26 N 3.69 0.00 -0.01 3.23 0.13 -1.70 -1.83 132.00 135.51 3ist h PRO 26 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ist h PRO 26 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3ist h PRO 26 CO 0.64 0.00 -0.14 0.72 -0.23 0.00 0.00 178.00 178.98 3ist n HIS 27 N -2.51 0.00 -3.62 1.56 8.25 -1.26 -4.93 115.22 112.71 3ist n HIS 27 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3ist n HIS 27 Cb 0.16 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 3ist n HIS 27 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3ist s GLU 28 N -2.42 3.82 0.12 -0.41 0.41 -0.69 -4.89 118.70 114.64 3ist s GLU 28 Ca 0.29 0.20 -0.21 0.00 -0.41 0.00 0.00 54.97 54.84 3ist s GLU 28 Cb 0.20 -3.24 -0.07 0.00 -1.78 0.00 0.00 34.13 29.23 3ist s GLU 28 CO 0.47 0.65 0.66 -1.14 -0.49 0.00 0.00 175.26 175.41 3ist s GLN 29 N -0.83 4.34 -0.16 1.61 0.74 -1.26 -4.98 119.66 119.12 3ist s GLN 29 Ca 0.20 0.90 -0.04 0.00 0.05 0.00 0.00 55.36 56.47 3ist s GLN 29 Cb -0.15 -3.21 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 3ist s GLN 29 CO 0.09 0.59 -0.03 0.08 -0.55 0.00 0.00 175.29 175.47 3ist s VAL 30 N -1.17 3.92 -0.17 1.34 1.01 -1.26 -0.93 120.40 123.14 3ist s VAL 30 Ca 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3ist s VAL 30 Cb -0.21 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3ist s VAL 30 CO 0.22 0.49 -0.09 -0.31 0.00 0.00 0.00 175.10 175.41 3ist s TYR 31 N 0.40 2.89 -0.04 5.22 1.51 -0.40 -1.14 117.35 125.78 3ist s TYR 31 Ca -0.04 -0.80 0.05 0.00 -1.01 0.00 0.00 57.07 55.27 3ist s TYR 31 Cb -0.14 -1.97 -0.00 0.00 -0.11 0.00 0.00 41.96 39.74 3ist s TYR 31 CO 0.03 -0.37 -0.19 -0.47 -1.11 0.00 0.00 175.55 173.44 3ist s TYR 32 N 0.87 1.83 -0.11 2.71 5.04 -0.15 -1.03 117.35 126.51 3ist s TYR 32 Ca -0.02 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.08 3ist s TYR 32 Cb -0.15 -1.22 0.03 0.00 0.35 0.00 0.00 41.96 40.96 3ist s TYR 32 CO 0.00 -0.17 -0.07 -1.17 -1.34 0.00 0.00 175.55 172.81 3ist s LEU 33 N -0.01 1.17 -0.18 6.97 2.96 0.23 -0.28 118.68 129.53 3ist s LEU 33 Ca -0.03 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3ist s LEU 33 Cb -0.12 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 3ist s LEU 33 CO 0.02 -0.13 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.09 3ist s GLY 34 N 1.72 1.76 -0.85 7.98 0.00 -0.28 -1.93 107.32 115.73 3ist s GLY 34 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 3ist s GLY 34 CO -0.08 0.05 2.71 1.34 0.00 0.00 0.00 173.10 177.12 3ist n ASP 35 N 3.75 7.16 -0.29 1.64 2.03 0.03 -2.11 116.55 128.77 3ist n ASP 35 Ca -0.17 -3.07 0.20 0.00 0.52 0.00 0.00 54.79 52.27 3ist n ASP 35 Cb 0.52 -1.33 0.49 0.00 -0.72 0.00 0.00 41.12 40.09 3ist n ASP 35 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3ist h THR 36 N 2.31 0.62 0.00 5.18 2.02 -1.74 -0.40 112.91 120.91 3ist h THR 36 Ca 0.53 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.56 3ist h THR 36 Cb 0.59 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3ist h THR 36 CO 1.12 0.08 -0.03 0.00 0.37 0.00 0.00 175.52 177.06 3ist h ALA 37 N 1.61 1.93 -0.32 6.16 0.00 -1.84 -2.22 119.26 124.59 3ist h ALA 37 Ca 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3ist h ALA 37 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ist h ALA 37 CO -0.24 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.59 3ist n ARG 38 N -4.49 2.34 -2.40 0.00 1.74 -0.20 -4.94 116.66 108.71 3ist n ARG 38 Ca -0.03 -1.94 -0.41 0.00 -0.77 0.00 0.00 57.85 54.70 3ist n ARG 38 Cb 0.12 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 3ist n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ist s PRO 40 N -0.22 4.08 0.36 0.00 0.04 -1.26 -5.02 135.00 132.99 3ist s PRO 40 Ca 0.52 0.61 0.19 0.00 0.04 0.00 0.00 61.00 62.36 3ist s PRO 40 Cb -0.32 -3.09 0.21 0.00 0.04 0.00 0.00 34.50 31.33 3ist s PRO 40 CO 0.36 0.57 1.52 1.88 0.04 0.00 0.00 177.00 181.37 3ist h TYR 41 N 4.10 0.00 -0.97 0.56 -1.99 -1.94 -3.41 116.97 113.33 3ist h TYR 41 Ca -0.49 0.00 0.23 0.00 2.00 0.00 0.00 58.73 60.47 3ist h TYR 41 Cb 1.20 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.75 3ist h TYR 41 CO 0.67 0.23 -0.09 0.78 -0.00 0.00 0.00 178.16 179.75 3ist h GLY 42 N 3.77 0.98 -2.39 3.88 0.00 -1.98 -1.41 103.07 105.91 3ist h GLY 42 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3ist h GLY 42 CO 0.03 -0.44 0.00 -1.55 0.00 0.00 0.00 176.54 174.58 3ist n PRO 43 N -5.54 2.58 -2.51 4.80 -0.04 -1.26 -1.04 135.00 131.99 3ist n PRO 43 Ca 0.19 -2.31 -0.29 0.00 -0.04 0.00 0.00 63.50 61.05 3ist n PRO 43 Cb 0.62 -1.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 3ist n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ist s ARG 44 N -1.23 3.63 0.45 0.54 0.52 -0.53 -4.99 118.95 117.34 3ist s ARG 44 Ca 0.43 0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 55.84 3ist s ARG 44 Cb 0.23 -2.30 -0.08 0.00 0.52 0.00 0.00 34.95 33.31 3ist s ARG 44 CO 0.28 -0.25 1.07 0.16 0.02 0.00 0.00 175.30 176.58 3ist s ASP 45 N -3.84 6.42 0.22 0.23 1.47 -1.26 -4.85 116.67 115.06 3ist s ASP 45 Ca 0.51 2.04 -0.09 0.00 1.18 0.00 0.00 52.55 56.19 3ist s ASP 45 Cb -0.10 -2.58 0.35 0.00 -0.34 0.00 0.00 42.92 40.25 3ist s ASP 45 CO 0.43 -0.73 1.66 0.50 0.68 0.00 0.00 175.17 177.70 3ist h LYS 46 N 1.94 0.13 -0.38 2.11 3.64 -1.97 -0.91 116.57 121.13 3ist h LYS 46 Ca -0.49 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.92 3ist h LYS 46 Cb 1.23 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 3ist h LYS 46 CO 0.60 0.08 0.15 1.49 -2.27 0.00 0.00 179.45 179.50 3ist h GLU 47 N 0.13 0.30 -0.29 1.90 4.81 -1.93 -0.24 114.58 119.27 3ist h GLU 47 Ca 0.36 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3ist h GLU 47 Cb 0.59 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3ist h GLU 47 CO -0.56 0.20 0.07 1.49 -0.73 0.00 0.00 179.01 179.48 3ist h GLU 48 N 0.31 0.46 -0.75 1.92 4.81 -1.82 -1.37 114.58 118.15 3ist h GLU 48 Ca 0.17 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3ist h GLU 48 Cb 0.14 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 3ist h GLU 48 CO -0.16 0.54 0.41 0.28 -0.73 0.00 0.00 179.01 179.35 3ist h VAL 49 N 0.30 0.91 -0.57 0.32 2.07 -0.98 -0.75 116.25 117.56 3ist h VAL 49 Ca 0.09 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3ist h VAL 49 Cb 0.29 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3ist h VAL 49 CO 0.00 0.13 0.11 0.00 0.02 0.00 0.00 177.57 177.83 3ist h ALA 50 N 1.42 0.75 -0.49 1.67 0.00 -0.81 0.35 119.26 122.15 3ist h ALA 50 Ca 0.36 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ist h ALA 50 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ist h ALA 50 CO -0.23 0.48 0.29 -0.22 0.00 0.00 0.00 179.25 179.57 3ist h LYS 51 N 0.82 0.57 -0.51 0.00 3.64 -0.50 0.59 116.57 121.18 3ist h LYS 51 Ca 0.17 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 3ist h LYS 51 Cb 0.39 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3ist h LYS 51 CO 0.01 0.37 -0.05 0.74 -2.27 0.00 0.00 179.45 178.25 3ist h PHE 52 N 0.58 1.04 -0.69 1.91 0.04 -0.91 -1.58 116.94 117.32 3ist h PHE 52 Ca 0.19 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3ist h PHE 52 Cb 0.01 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.86 3ist h PHE 52 CO -0.07 0.97 0.44 1.15 -0.60 0.00 0.00 178.31 180.21 3ist h THR 53 N 0.80 1.14 -0.72 -1.55 2.02 -0.64 -2.34 112.91 111.61 3ist h THR 53 Ca 0.14 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3ist h THR 53 Cb 0.60 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3ist h THR 53 CO 0.04 0.16 0.30 -0.50 0.37 0.00 0.00 175.52 175.89 3ist h TRP 54 N 0.89 1.06 0.00 3.16 4.06 -0.63 -0.16 115.95 124.34 3ist h TRP 54 Ca 0.26 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.15 3ist h TRP 54 Cb -0.04 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 27.79 3ist h TRP 54 CO -0.03 0.80 0.00 0.39 -3.56 0.00 0.00 178.44 176.04 3ist n GLU 55 N -4.30 0.00 0.00 0.49 1.02 -0.62 -0.63 120.64 116.60 3ist n GLU 55 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3ist n GLU 55 Cb 0.17 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3ist n GLU 55 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ist n THR 57 N 0.51 0.00 -0.36 2.62 -1.04 -0.07 -2.00 114.28 113.94 3ist n THR 57 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 3ist n THR 57 Cb 0.00 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 68.69 3ist n THR 57 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3ist h ASN 58 N 0.00 1.03 -0.16 8.00 2.35 -1.14 0.23 115.58 125.90 3ist h ASN 58 Ca 0.00 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3ist h ASN 58 Cb 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3ist h ASN 58 CO 0.00 0.66 0.09 0.15 -1.65 0.00 0.00 177.43 176.68 3ist h PHE 59 N 1.16 0.17 -0.07 1.19 3.57 -1.65 -0.61 116.94 120.70 3ist h PHE 59 Ca 0.43 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.74 3ist h PHE 59 Cb 0.17 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3ist h PHE 59 CO -0.00 0.10 -0.77 -0.07 -2.23 0.00 0.00 178.31 175.35 3ist h LEU 60 N 0.19 0.51 -1.11 0.59 3.38 -1.73 -2.98 115.31 114.16 3ist h LEU 60 Ca 0.06 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3ist h LEU 60 Cb -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ist h LEU 60 CO -0.03 1.10 0.43 0.58 0.09 0.00 0.00 178.44 180.61 3ist h VAL 61 N 0.28 1.22 0.00 1.22 2.07 -0.41 -0.58 116.25 120.06 3ist h VAL 61 Ca -0.04 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3ist h VAL 61 Cb 1.35 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3ist h VAL 61 CO 0.13 0.24 -0.07 0.44 0.02 0.00 0.00 177.57 178.33 3ist h ASP 62 N 1.06 0.00 -0.37 0.57 3.32 -1.03 -1.11 116.42 118.86 3ist h ASP 62 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ist h ASP 62 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ist h ASP 62 CO -0.05 0.07 0.00 0.54 -1.72 0.00 0.00 179.24 178.09 3ist n ARG 63 N -3.99 1.94 -0.50 3.56 1.74 -0.27 -4.96 116.66 114.19 3ist n ARG 63 Ca -0.03 -1.45 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 3ist n ARG 63 Cb 0.16 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3ist n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ist n GLY 64 N 1.17 1.02 3.77 -0.13 0.00 -0.42 -4.91 105.19 105.69 3ist n GLY 64 Ca 0.14 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3ist n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ist s ILE 65 N -2.00 3.21 -2.10 -0.61 -4.36 -1.22 -4.48 121.20 109.64 3ist s ILE 65 Ca 0.00 0.60 0.22 0.00 -0.26 0.00 0.00 60.65 61.21 3ist s ILE 65 Cb 0.00 -3.14 0.55 0.00 1.25 0.00 0.00 42.46 41.12 3ist s ILE 65 CO 0.00 -0.31 1.47 2.29 0.24 0.00 0.00 174.94 178.63 3ist n LYS 66 N -2.18 2.64 -3.68 0.37 2.85 0.85 -4.94 118.16 114.08 3ist n LYS 66 Ca 0.11 -2.50 -0.09 0.00 -1.05 0.00 0.00 58.31 54.78 3ist n LYS 66 Cb 0.52 -1.53 -0.09 0.00 -0.65 0.00 0.00 35.03 33.27 3ist n LYS 66 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3ist s LEU 68 N -1.17 -0.40 -0.24 -5.58 2.96 -0.41 -4.22 118.68 109.62 3ist s LEU 68 Ca 0.44 1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 55.37 3ist s LEU 68 Cb 0.24 1.66 -0.03 0.00 0.50 0.00 0.00 46.19 48.56 3ist s LEU 68 CO 0.32 -0.21 0.05 -0.69 -1.32 0.00 0.00 176.35 174.50 3ist s VAL 69 N 1.61 4.15 -0.90 1.68 1.01 0.58 -1.45 120.40 127.07 3ist s VAL 69 Ca -0.09 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 3ist s VAL 69 Cb -0.08 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.47 3ist s VAL 69 CO -0.15 0.36 1.19 -0.63 0.00 0.00 0.00 175.10 175.87 3ist s ILE 70 N 1.54 4.40 -0.57 2.22 1.01 0.57 -1.62 121.20 128.76 3ist s ILE 70 Ca 0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 3ist s ILE 70 Cb -0.15 -4.84 0.18 0.00 0.01 0.00 0.00 42.46 37.66 3ist s ILE 70 CO 0.02 -1.63 2.45 0.00 0.00 0.00 0.00 174.94 175.78 3ist n ALA 71 N 7.49 6.35 -3.65 9.38 0.00 0.26 -3.59 120.51 136.75 3ist n ALA 71 Ca 0.21 -3.25 -0.07 0.00 0.00 0.00 0.00 53.44 50.33 3ist n ALA 71 Cb 0.49 -2.01 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 3ist n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ist h ASN 73 N 7.31 0.28 0.05 0.00 2.35 -1.85 -1.23 115.58 122.48 3ist h ASN 73 Ca -0.28 -0.57 -0.11 0.00 -0.55 0.00 0.00 56.30 54.78 3ist h ASN 73 Cb 1.19 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3ist h ASN 73 CO 0.17 0.80 -0.36 0.00 -1.65 0.00 0.00 177.43 176.39 3ist h THR 74 N -0.23 1.29 -0.83 2.81 1.03 -1.95 -1.28 112.91 113.75 3ist h THR 74 Ca 0.00 -1.47 -0.04 0.00 -0.01 0.00 0.00 66.41 64.89 3ist h THR 74 Cb 0.76 1.54 -0.04 0.00 -1.07 0.00 0.00 68.15 69.34 3ist h THR 74 CO 0.04 0.46 0.38 0.00 -0.01 0.00 0.00 175.52 176.38 3ist h ALA 75 N 1.24 1.09 -0.08 0.00 0.00 -1.91 -0.62 119.26 118.98 3ist h ALA 75 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ist h ALA 75 Cb 0.81 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ist h ALA 75 CO 0.07 0.67 0.04 1.15 0.00 0.00 0.00 179.25 181.18 3ist h THR 76 N 1.20 1.09 -0.83 0.00 2.02 -0.68 -0.68 112.91 115.02 3ist h THR 76 Ca 0.28 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3ist h THR 76 Cb 0.16 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3ist h THR 76 CO -0.03 0.07 0.37 0.00 0.37 0.00 0.00 175.52 176.30 3ist h ALA 77 N 0.94 1.07 -0.03 6.16 0.00 -1.09 -1.73 119.26 124.58 3ist h ALA 77 Ca 0.03 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 3ist h ALA 77 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ist h ALA 77 CO -0.00 0.67 -0.82 0.00 0.00 0.00 0.00 179.25 179.09 3ist h ALA 78 N 1.20 0.54 0.00 0.00 0.00 -0.91 -3.42 119.26 116.66 3ist h ALA 78 Ca 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3ist h ALA 78 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ist h ALA 78 CO -0.03 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.04 3ist n ALA 79 N -2.50 0.00 0.05 0.00 0.00 -0.28 -4.74 120.51 113.05 3ist n ALA 79 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3ist n ALA 79 Cb 0.76 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 3ist n ALA 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ist h LEU 80 N 0.00 -0.47 -0.76 0.00 5.85 -1.37 -1.42 115.31 117.14 3ist h LEU 80 Ca 0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3ist h LEU 80 Cb 0.41 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3ist h LEU 80 CO 0.00 -0.22 0.31 1.88 -0.34 0.00 0.00 178.44 180.07 3ist h TYR 81 N -0.26 1.15 -0.45 1.25 0.05 -1.91 0.61 116.97 117.40 3ist h TYR 81 Ca 0.05 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 3ist h TYR 81 Cb 0.33 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 3ist h TYR 81 CO -0.22 0.88 0.27 0.22 -1.05 0.00 0.00 178.16 178.26 3ist h ASP 82 N 1.09 0.55 -0.11 3.88 3.58 -1.87 -0.30 116.42 123.24 3ist h ASP 82 Ca 0.25 -0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.41 3ist h ASP 82 Cb 0.21 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.13 3ist h ASP 82 CO -0.02 0.44 -0.83 0.40 -2.88 0.00 0.00 179.24 176.35 3ist h ILE 83 N 0.60 1.28 -0.52 2.25 2.04 -0.95 -1.86 117.51 120.35 3ist h ILE 83 Ca 0.16 -2.03 0.04 0.00 1.00 0.00 0.00 64.86 64.03 3ist h ILE 83 Cb 0.00 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 3ist h ILE 83 CO -0.03 0.64 0.28 -0.09 0.00 0.00 0.00 178.15 178.95 3ist h ARG 84 N 0.51 0.54 -0.07 2.37 2.43 -0.85 -1.16 114.38 118.16 3ist h ARG 84 Ca -0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3ist h ARG 84 Cb 1.47 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3ist h ARG 84 CO 0.17 0.36 0.02 1.49 -1.51 0.00 0.00 179.97 180.50 3ist h GLU 85 N 0.56 0.10 -0.02 0.20 4.81 -0.94 -3.30 114.58 116.00 3ist h GLU 85 Ca 0.22 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 3ist h GLU 85 Cb 0.09 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3ist h GLU 85 CO -0.13 0.25 -0.82 0.87 -0.73 0.00 0.00 179.01 178.45 3ist h LYS 86 N -0.07 0.26 -7.26 1.92 1.57 -1.20 -3.45 116.57 108.34 3ist h LYS 86 Ca 0.02 -0.25 -0.49 0.00 -1.87 0.00 0.00 60.65 58.06 3ist h LYS 86 Cb 0.19 0.06 0.06 0.00 0.08 0.00 0.00 32.23 32.62 3ist h LYS 86 CO -0.00 0.94 0.30 -0.51 -0.57 0.00 0.00 179.45 179.62 3ist s LEU 87 N -7.61 3.22 -0.07 2.94 1.43 -0.45 -5.00 118.68 113.14 3ist s LEU 87 Ca -0.04 1.09 0.17 0.00 -1.03 0.00 0.00 54.13 54.32 3ist s LEU 87 Cb 0.10 -4.00 -0.22 0.00 0.03 0.00 0.00 46.19 42.10 3ist s LEU 87 CO 0.83 -0.99 0.47 0.47 0.23 0.00 0.00 176.35 177.37 3ist n ASP 88 N -2.69 0.43 -4.81 2.29 8.00 -1.26 -4.90 116.55 113.61 3ist n ASP 88 Ca 0.05 0.20 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 3ist n ASP 88 Cb 0.56 0.67 0.07 0.00 -0.02 0.00 0.00 41.12 42.40 3ist n ASP 88 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3ist s ILE 89 N -2.79 3.59 0.43 0.53 -4.36 -1.26 -5.02 121.20 112.32 3ist s ILE 89 Ca -0.06 0.52 -0.25 0.00 -0.26 0.00 0.00 60.65 60.59 3ist s ILE 89 Cb 0.08 -3.26 -0.08 0.00 1.25 0.00 0.00 42.46 40.45 3ist s ILE 89 CO 0.83 -0.67 1.31 -2.84 0.24 0.00 0.00 174.94 173.81 3ist s PRO 90 N -5.09 3.85 -0.04 0.37 0.02 -1.26 -4.86 135.00 127.98 3ist s PRO 90 Ca 0.59 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.77 3ist s PRO 90 Cb -0.14 -2.68 0.03 0.00 0.02 0.00 0.00 34.50 31.73 3ist s PRO 90 CO 0.55 -0.59 0.03 0.08 -0.33 0.00 0.00 177.00 176.73 3ist s VAL 91 N -1.28 0.08 0.22 3.83 1.01 -1.26 -1.29 120.40 121.71 3ist s VAL 91 Ca 0.59 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.87 3ist s VAL 91 Cb -0.38 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3ist s VAL 91 CO 0.49 0.18 -0.07 0.27 0.00 0.00 0.00 175.10 175.97 3ist s ILE 92 N 1.68 1.35 0.03 2.22 -4.36 -0.53 -4.89 121.20 116.70 3ist s ILE 92 Ca -0.01 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 3ist s ILE 92 Cb -0.13 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.39 3ist s ILE 92 CO -0.03 -0.47 0.00 0.61 0.24 0.00 0.00 174.94 175.29 3ist n GLY 93 N -0.40 3.93 0.20 6.27 0.00 -1.26 -0.31 105.19 113.62 3ist n GLY 93 Ca -0.07 -2.21 0.04 0.00 0.00 0.00 0.00 46.02 43.78 3ist n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ist n VAL 94 N -0.17 0.00 -0.03 1.61 0.24 -1.24 -4.58 118.33 114.16 3ist n VAL 94 Ca -0.01 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 61.73 3ist n VAL 94 Cb 0.03 1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 33.39 3ist n VAL 94 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3ist h ILE 95 N 0.99 1.58 -0.47 1.34 2.04 -1.92 -2.66 117.51 118.41 3ist h ILE 95 Ca 0.00 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 3ist h ILE 95 Cb 0.29 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 3ist h ILE 95 CO 0.00 0.53 0.25 -0.61 0.00 0.00 0.00 178.15 178.32 3ist h GLN 96 N -0.58 0.65 -0.91 2.37 5.75 -1.96 -0.93 115.11 119.50 3ist h GLN 96 Ca -0.03 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3ist h GLN 96 Cb 0.98 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.35 3ist h GLN 96 CO 0.04 0.52 0.59 -1.35 -2.65 0.00 0.00 178.83 175.98 3ist h PRO 97 N 0.61 1.12 -0.10 -2.39 0.11 -1.81 -0.68 132.00 128.87 3ist h PRO 97 Ca 0.16 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 3ist h PRO 97 Cb 0.06 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3ist h PRO 97 CO -0.03 0.74 -0.49 0.78 -0.21 0.00 0.00 178.00 178.79 3ist h GLY 98 N 1.16 0.28 0.94 -0.55 0.00 -1.20 -0.79 103.07 102.91 3ist h GLY 98 Ca 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3ist h GLY 98 CO -0.11 0.27 0.16 1.76 0.00 0.00 0.00 176.54 178.61 3ist h SER 99 N 0.20 0.48 -0.48 0.19 0.02 -0.65 -0.93 113.55 112.38 3ist h SER 99 Ca 0.01 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 3ist h SER 99 Cb 0.95 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3ist h SER 99 CO 0.08 0.49 0.14 0.03 -1.14 0.00 0.00 176.83 176.43 3ist h ARG 100 N 0.43 0.75 -0.79 3.45 3.08 -0.80 -1.83 114.38 118.67 3ist h ARG 100 Ca 0.12 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3ist h ARG 100 Cb 0.15 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3ist h ARG 100 CO -0.01 0.72 0.43 0.00 -1.07 0.00 0.00 179.97 180.04 3ist h ALA 101 N 1.00 1.02 -0.43 0.04 0.00 -0.98 -2.25 119.26 117.65 3ist h ALA 101 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ist h ALA 101 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ist h ALA 101 CO -0.00 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.96 3ist h ALA 102 N 1.23 0.55 -0.09 0.00 0.00 -0.83 -1.47 119.26 118.64 3ist h ALA 102 Ca 0.28 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3ist h ALA 102 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ist h ALA 102 CO -0.04 0.15 -0.19 -0.07 0.00 0.00 0.00 179.25 179.09 3ist h LEU 103 N 0.54 0.14 -0.81 0.00 3.38 -1.08 -1.08 115.31 116.41 3ist h LEU 103 Ca 0.14 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3ist h LEU 103 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ist h LEU 103 CO -0.01 0.35 -0.54 0.11 0.09 0.00 0.00 178.44 178.44 3ist h LYS 104 N 0.14 0.00 0.00 1.13 1.57 -0.93 -3.32 116.57 115.17 3ist h LYS 104 Ca 0.03 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 3ist h LYS 104 Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 3ist h LYS 104 CO 0.03 0.54 -1.39 0.00 -0.57 0.00 0.00 179.45 178.06 3ist h ALA 105 N 1.46 0.67 -2.81 3.86 0.00 -0.33 -3.47 119.26 118.64 3ist h ALA 105 Ca -0.01 -1.03 -0.51 0.00 0.00 0.00 0.00 54.91 53.36 3ist h ALA 105 Cb 1.04 0.27 0.05 0.00 0.00 0.00 0.00 17.79 19.15 3ist h ALA 105 CO 0.07 1.16 0.55 -0.08 0.00 0.00 0.00 179.25 180.95 3ist s THR 106 N -2.79 3.04 -0.17 0.00 -1.32 -0.50 -4.95 115.64 108.96 3ist s THR 106 Ca -0.02 0.98 0.15 0.00 -1.21 0.00 0.00 61.69 61.59 3ist s THR 106 Cb 0.08 -3.60 -0.21 0.00 -1.51 0.00 0.00 72.50 67.27 3ist s THR 106 CO 0.81 0.18 0.06 0.54 -2.21 0.00 0.00 174.62 174.01 3ist n ARG 107 N 0.60 1.21 -0.08 7.08 3.00 -1.26 -4.67 116.66 122.53 3ist n ARG 107 Ca 0.01 -0.01 0.04 0.00 -0.01 0.00 0.00 57.85 57.88 3ist n ARG 107 Cb 0.44 -1.44 0.08 0.00 0.00 0.00 0.00 32.46 31.55 3ist n ARG 107 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3ist n ASN 108 N -2.62 2.29 -3.24 0.55 0.23 -1.26 -4.99 115.26 106.22 3ist n ASN 108 Ca -0.27 -1.76 -0.23 0.00 -0.53 0.00 0.00 54.58 51.79 3ist n ASN 108 Cb 1.05 -0.10 0.02 0.00 -2.08 0.00 0.00 39.78 38.66 3ist n ASN 108 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ist n ASN 109 N 0.30 -5.02 -4.11 0.53 5.03 -1.26 -4.96 115.26 105.77 3ist n ASN 109 Ca 0.07 -0.37 -0.34 0.00 0.87 0.00 0.00 54.58 54.81 3ist n ASN 109 Cb 0.31 -4.08 -0.14 0.00 -1.02 0.00 0.00 39.78 34.85 3ist n ASN 109 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3ist s LYS 110 N -5.91 2.06 -0.11 3.52 1.02 -1.26 -1.33 119.74 117.73 3ist s LYS 110 Ca 0.38 -1.58 0.01 0.00 0.02 0.00 0.00 55.97 54.79 3ist s LYS 110 Cb -0.18 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3ist s LYS 110 CO 0.46 -0.82 -0.13 0.42 -0.92 0.00 0.00 175.35 174.36 3ist s ILE 111 N 1.12 3.08 0.03 2.17 1.01 -0.10 -1.93 121.20 126.58 3ist s ILE 111 Ca 0.02 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3ist s ILE 111 Cb -0.20 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3ist s ILE 111 CO -0.04 0.54 0.10 -0.83 0.00 0.00 0.00 174.94 174.72 3ist s GLY 112 N 0.01 2.05 -0.09 6.18 0.00 0.05 -1.55 107.32 113.96 3ist s GLY 112 Ca -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3ist s GLY 112 CO 0.04 -0.84 -0.15 0.14 0.00 0.00 0.00 173.10 172.29 3ist s VAL 113 N -1.32 1.41 -0.15 1.40 1.01 -0.09 -0.47 120.40 122.19 3ist s VAL 113 Ca 0.27 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3ist s VAL 113 Cb -0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3ist s VAL 113 CO 0.19 0.42 0.06 -0.76 0.00 0.00 0.00 175.10 175.01 3ist s LEU 114 N 0.80 3.85 0.00 3.92 1.43 -0.30 -0.51 118.68 127.88 3ist s LEU 114 Ca -0.11 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3ist s LEU 114 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3ist s LEU 114 CO 0.02 0.25 0.03 0.61 0.23 0.00 0.00 176.35 177.49 3ist n GLY 115 N 3.00 1.79 3.89 -3.19 0.00 -0.76 0.03 105.19 109.96 3ist n GLY 115 Ca -0.18 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 3ist n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ist s THR 116 N -2.87 2.28 0.24 2.61 -4.23 -1.26 -0.90 115.64 111.50 3ist s THR 116 Ca 0.01 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 3ist s THR 116 Cb -0.00 -3.07 0.20 0.00 1.34 0.00 0.00 72.50 70.97 3ist s THR 116 CO 0.00 -0.12 1.75 -0.07 -0.54 0.00 0.00 174.62 175.65 3ist h LEU 117 N -1.01 0.35 -0.44 4.79 3.38 -1.94 0.94 115.31 121.37 3ist h LEU 117 Ca -0.46 0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.42 3ist h LEU 117 Cb 1.32 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3ist h LEU 117 CO 0.65 0.16 -0.70 1.23 0.09 0.00 0.00 178.44 179.88 3ist h GLY 118 N 0.50 0.43 0.67 0.83 0.00 -1.42 -0.54 103.07 103.54 3ist h GLY 118 Ca 0.39 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3ist h GLY 118 CO -0.35 0.53 -0.04 -0.84 0.00 0.00 0.00 176.54 175.84 3ist h THR 119 N 0.27 1.32 -0.37 4.70 2.02 -1.74 -0.47 112.91 118.65 3ist h THR 119 Ca -0.02 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.14 3ist h THR 119 Cb 1.27 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.49 3ist h THR 119 CO 0.12 0.29 0.17 0.58 0.37 0.00 0.00 175.52 177.05 3ist h VAL 120 N -0.20 0.96 -0.17 3.16 2.07 -0.74 -2.78 116.25 118.54 3ist h VAL 120 Ca 0.02 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 3ist h VAL 120 Cb 0.48 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3ist h VAL 120 CO 0.01 0.06 -0.24 -0.08 0.02 0.00 0.00 177.57 177.35 3ist h GLU 121 N 0.36 0.31 0.00 1.57 4.57 -0.98 -3.44 114.58 116.96 3ist h GLU 121 Ca 0.16 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3ist h GLU 121 Cb 0.08 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3ist h GLU 121 CO -0.12 0.53 0.00 -1.13 -1.18 0.00 0.00 179.01 177.11 3ist n SER 122 N -4.16 0.00 0.00 1.04 3.41 -0.19 -5.09 113.62 108.63 3ist n SER 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3ist n SER 122 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3ist n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ist n ALA 124 N -3.00 0.00 0.09 7.33 0.00 -1.26 -5.01 120.51 118.67 3ist n ALA 124 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3ist n ALA 124 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3ist n ALA 124 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3ist h TYR 125 N 0.00 -0.23 -0.67 0.00 -1.99 -1.95 -0.66 116.97 111.47 3ist h TYR 125 Ca 0.00 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.75 3ist h TYR 125 Cb 0.00 0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.77 3ist h TYR 125 CO 0.00 0.12 0.45 -1.00 -0.00 0.00 0.00 178.16 177.73 3ist h PRO 126 N -0.64 0.82 -0.47 4.88 0.13 -1.97 0.97 132.00 135.73 3ist h PRO 126 Ca -0.03 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 3ist h PRO 126 Cb 0.46 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 3ist h PRO 126 CO 0.04 0.55 0.23 1.15 -0.23 0.00 0.00 178.00 179.74 3ist h THR 127 N 0.85 1.18 -0.10 1.56 2.02 -1.95 -0.32 112.91 116.15 3ist h THR 127 Ca 0.26 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3ist h THR 127 Cb -0.00 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3ist h THR 127 CO -0.07 0.20 -0.04 0.00 0.37 0.00 0.00 175.52 175.99 3ist h ALA 128 N 1.07 0.15 -0.03 6.16 0.00 -0.49 -1.28 119.26 124.84 3ist h ALA 128 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ist h ALA 128 Cb 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ist h ALA 128 CO -0.02 -0.10 0.01 -0.07 0.00 0.00 0.00 179.25 179.06 3ist h LEU 129 N -0.13 0.01 -1.41 0.00 3.38 -0.77 -2.51 115.31 113.87 3ist h LEU 129 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ist h LEU 129 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ist h LEU 129 CO 0.01 0.01 -0.07 0.11 0.09 0.00 0.00 178.44 178.59 3ist h LYS 130 N 0.02 0.00 0.00 1.13 1.57 -1.11 -0.98 116.57 117.20 3ist h LYS 130 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3ist h LYS 130 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3ist h LYS 130 CO -0.02 0.07 -0.44 0.78 -0.57 0.00 0.00 179.45 179.28 3ist h GLY 131 N 1.95 0.00 0.83 3.86 0.00 -0.88 -2.76 103.07 106.07 3ist h GLY 131 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 3ist h GLY 131 CO 0.01 0.00 -1.83 1.41 0.00 0.00 0.00 176.54 176.13 3ist h LEU 132 N 0.00 0.30 -6.41 3.11 3.38 -1.00 -3.45 115.31 111.24 3ist h LEU 132 Ca -0.00 -0.61 -0.29 0.00 0.09 0.00 0.00 57.88 57.07 3ist h LEU 132 Cb 0.83 -0.10 -0.31 0.00 0.09 0.00 0.00 40.66 41.17 3ist h LEU 132 CO 0.06 1.54 -0.61 0.21 0.09 0.00 0.00 178.44 179.72 3ist s ASN 133 N -6.76 1.14 0.25 -0.43 3.84 -0.42 -5.02 114.94 107.54 3ist s ASN 133 Ca -0.15 -0.78 0.18 0.00 0.21 0.00 0.00 52.86 52.33 3ist s ASN 133 Cb 0.07 0.73 0.93 0.00 -0.55 0.00 0.00 41.25 42.43 3ist s ASN 133 CO 0.80 -0.35 1.55 -2.11 -2.79 0.00 0.00 177.10 174.20 3ist n ARG 134 N 5.14 0.12 0.00 0.43 1.85 -1.05 -1.96 116.66 121.19 3ist n ARG 134 Ca 0.01 0.58 0.12 0.00 -1.00 0.00 0.00 57.85 57.56 3ist n ARG 134 Cb 0.47 -1.86 0.26 0.00 -1.05 0.00 0.00 32.46 30.28 3ist n ARG 134 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3ist n ARG 135 N -2.10 0.48 -2.23 2.89 1.74 -1.26 -4.95 116.66 111.23 3ist n ARG 135 Ca -0.01 -0.31 -0.37 0.00 -0.77 0.00 0.00 57.85 56.39 3ist n ARG 135 Cb 0.05 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 3ist n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ist s VAL 136 N -2.73 3.04 -0.13 1.55 0.11 -0.83 -5.02 120.40 116.40 3ist s VAL 136 Ca 0.17 0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 59.97 3ist s VAL 136 Cb 0.18 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 3ist s VAL 136 CO 0.62 0.01 0.10 -1.61 -3.33 0.00 0.00 175.10 170.90 3ist s GLU 137 N -2.60 3.53 -0.05 1.54 2.02 -0.44 -4.89 118.70 117.81 3ist s GLU 137 Ca 0.62 -0.22 -0.01 0.00 0.02 0.00 0.00 54.97 55.39 3ist s GLU 137 Cb -0.30 -3.15 0.03 0.00 0.10 0.00 0.00 34.13 30.80 3ist s GLU 137 CO 0.37 0.64 0.01 0.08 0.02 0.00 0.00 175.26 176.38 3ist s VAL 138 N -0.64 0.21 -0.06 2.63 1.01 -1.26 -0.92 120.40 121.36 3ist s VAL 138 Ca 0.12 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3ist s VAL 138 Cb -0.12 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3ist s VAL 138 CO 0.02 0.20 -0.13 -1.81 0.00 0.00 0.00 175.10 173.38 3ist s ASP 139 N 1.63 1.82 0.14 3.32 1.01 -0.60 -5.00 116.67 118.99 3ist s ASP 139 Ca -0.01 -0.30 0.10 0.00 0.71 0.00 0.00 52.55 53.05 3ist s ASP 139 Cb -0.13 -0.75 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 3ist s ASP 139 CO -0.03 0.06 -0.22 -0.44 0.21 0.00 0.00 175.17 174.75 3ist s SER 140 N 0.49 3.59 -0.05 0.27 0.01 -1.26 -0.91 113.70 115.84 3ist s SER 140 Ca -0.12 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.45 3ist s SER 140 Cb -0.14 -0.37 0.03 0.00 0.21 0.00 0.00 66.02 65.74 3ist s SER 140 CO 0.03 0.17 -0.01 -0.22 0.41 0.00 0.00 173.24 173.62 3ist s LEU 141 N -2.22 0.91 0.16 2.44 2.96 0.33 -4.92 118.68 118.35 3ist s LEU 141 Ca 0.17 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 3ist s LEU 141 Cb -0.10 -0.39 -0.07 0.00 0.50 0.00 0.00 46.19 46.13 3ist s LEU 141 CO 0.09 -0.13 0.95 0.00 -1.32 0.00 0.00 176.35 175.93 3ist s ALA 142 N 1.46 3.28 -0.50 5.97 0.00 -1.26 -1.82 121.76 128.90 3ist s ALA 142 Ca -0.03 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.60 3ist s ALA 142 Cb -0.13 -3.25 0.31 0.00 0.00 0.00 0.00 23.12 20.06 3ist s ALA 142 CO -0.03 0.07 0.79 0.00 0.00 0.00 0.00 175.76 176.59 3ist h PRO 144 N 3.35 0.00 0.00 0.00 0.13 -1.95 -1.78 132.00 131.75 3ist h PRO 144 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3ist h PRO 144 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3ist h PRO 144 CO 0.68 0.00 -0.04 0.87 -0.23 0.00 0.00 178.00 179.28 3ist h LYS 145 N 0.00 0.00 -0.20 0.86 1.57 -1.98 -3.36 116.57 113.45 3ist h LYS 145 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3ist h LYS 145 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ist h LYS 145 CO 0.00 0.04 -0.01 0.74 -0.57 0.00 0.00 179.45 179.65 3ist h PHE 146 N 0.00 0.40 -0.83 -1.35 -1.00 -1.72 -2.49 116.94 109.94 3ist h PHE 146 Ca -0.00 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3ist h PHE 146 Cb 0.92 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.33 3ist h PHE 146 CO 0.00 0.57 0.52 0.28 -1.61 0.00 0.00 178.31 178.07 3ist h VAL 147 N 0.11 1.22 -0.54 -0.55 2.07 -1.76 -1.31 116.25 115.50 3ist h VAL 147 Ca 0.06 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3ist h VAL 147 Cb 0.42 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 3ist h VAL 147 CO 0.01 0.23 0.27 -1.28 0.02 0.00 0.00 177.57 176.82 3ist h SER 148 N 1.13 0.38 -0.27 0.57 0.87 -1.71 0.68 113.55 115.20 3ist h SER 148 Ca 0.30 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.76 3ist h SER 148 Cb -0.08 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3ist h SER 148 CO -0.06 0.26 -0.32 0.58 -0.53 0.00 0.00 176.83 176.76 3ist h VAL 149 N 0.52 1.28 0.08 2.23 2.07 -0.96 -2.17 116.25 119.29 3ist h VAL 149 Ca 0.24 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3ist h VAL 149 Cb 0.16 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3ist h VAL 149 CO -0.18 0.49 -0.04 0.58 0.02 0.00 0.00 177.57 178.44 3ist h VAL 150 N 0.66 1.18 -0.07 2.57 2.07 -0.89 -1.23 116.25 120.54 3ist h VAL 150 Ca 0.07 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3ist h VAL 150 Cb 0.86 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3ist h VAL 150 CO 0.08 0.24 -0.06 -0.33 0.02 0.00 0.00 177.57 177.52 3ist h GLU 151 N -0.56 0.10 0.00 1.57 4.39 -0.87 -0.83 114.58 118.37 3ist h GLU 151 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ist h GLU 151 Cb 0.48 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3ist h GLU 151 CO 0.02 0.17 0.00 0.43 -1.16 0.00 0.00 179.01 178.46 3ist n SER 152 N -4.41 0.38 -0.31 1.42 7.64 -0.82 -4.91 113.62 112.61 3ist n SER 152 Ca -0.02 0.58 -0.03 0.00 1.01 0.00 0.00 58.87 60.41 3ist n SER 152 Cb 0.17 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 62.69 3ist n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ist n GLY 153 N 0.28 0.51 1.53 0.23 0.00 -0.32 -4.95 105.19 102.46 3ist n GLY 153 Ca 0.03 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.30 3ist n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ist n GLU 154 N -2.37 3.44 0.00 1.61 1.02 -0.47 -4.70 120.64 119.17 3ist n GLU 154 Ca -0.04 -2.78 0.09 0.00 -0.02 0.00 0.00 57.16 54.41 3ist n GLU 154 Cb 0.26 -1.81 0.47 0.00 -0.02 0.00 0.00 31.44 30.34 3ist n GLU 154 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3ist n TYR 155 N 1.27 0.00 0.45 -0.32 0.18 -1.22 -1.54 117.16 115.98 3ist n TYR 155 Ca 0.25 0.00 0.06 0.00 1.88 0.00 0.00 57.90 60.09 3ist n TYR 155 Cb 0.81 -0.28 0.06 0.00 -0.38 0.00 0.00 39.34 39.55 3ist n TYR 155 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3ist n LYS 156 N -1.28 0.76 -2.28 -3.48 5.02 -1.26 -4.68 118.16 110.96 3ist n LYS 156 Ca 0.09 -1.25 -0.26 0.00 -2.02 0.00 0.00 58.31 54.87 3ist n LYS 156 Cb 0.15 -1.23 0.10 0.00 -0.02 0.00 0.00 35.03 34.03 3ist n LYS 156 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ist s SER 157 N -0.98 4.40 0.36 4.39 1.04 -0.59 -4.93 113.70 117.39 3ist s SER 157 Ca 0.14 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.77 3ist s SER 157 Cb 0.10 -0.65 0.67 0.00 0.10 0.00 0.00 66.02 66.24 3ist s SER 157 CO 0.15 -1.85 2.01 0.00 0.98 0.00 0.00 173.24 174.53 3ist h ALA 158 N -0.73 1.58 -0.83 5.32 0.00 -1.98 -2.02 119.26 120.61 3ist h ALA 158 Ca -0.42 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3ist h ALA 158 Cb 1.29 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3ist h ALA 158 CO 0.50 0.38 0.38 0.97 0.00 0.00 0.00 179.25 181.48 3ist h ILE 159 N 0.82 1.26 -0.73 0.00 -0.00 -1.94 -1.25 117.51 115.67 3ist h ILE 159 Ca 0.23 -0.75 -0.00 0.00 -0.00 0.00 0.00 64.86 64.34 3ist h ILE 159 Cb -0.06 0.21 -0.04 0.00 -0.00 0.00 0.00 36.82 36.94 3ist h ILE 159 CO -0.05 0.32 0.44 0.00 -0.00 0.00 0.00 178.15 178.85 3ist h ALA 160 N 1.21 0.93 -0.58 0.18 0.00 -1.53 -0.68 119.26 118.79 3ist h ALA 160 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ist h ALA 160 Cb 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ist h ALA 160 CO -0.03 0.41 0.23 -0.22 0.00 0.00 0.00 179.25 179.63 3ist h LYS 161 N 1.00 0.87 -0.33 0.00 3.64 -0.97 -0.89 116.57 119.88 3ist h LYS 161 Ca 0.26 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3ist h LYS 161 Cb -0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3ist h LYS 161 CO -0.05 0.75 0.08 -0.22 -2.27 0.00 0.00 179.45 177.74 3ist h LYS 162 N 0.80 0.53 -0.67 1.90 3.64 -0.95 -2.25 116.57 119.58 3ist h LYS 162 Ca 0.19 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3ist h LYS 162 Cb 0.21 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3ist h LYS 162 CO -0.02 0.59 0.13 0.28 -2.27 0.00 0.00 179.45 178.16 3ist h VAL 163 N 0.38 1.26 0.00 2.00 2.07 -0.96 -1.46 116.25 119.54 3ist h VAL 163 Ca 0.10 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 3ist h VAL 163 Cb 0.29 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3ist h VAL 163 CO 0.00 0.38 -0.00 0.58 0.02 0.00 0.00 177.57 178.55 3ist h VAL 164 N 1.02 1.14 -0.97 2.57 2.07 -1.14 -1.49 116.25 119.46 3ist h VAL 164 Ca 0.21 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3ist h VAL 164 Cb 0.41 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3ist h VAL 164 CO 0.01 0.11 0.63 0.00 0.02 0.00 0.00 177.57 178.34 3ist h ALA 165 N 0.81 1.30 -0.13 1.67 0.00 -1.19 0.66 119.26 122.38 3ist h ALA 165 Ca -0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 3ist h ALA 165 Cb 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ist h ALA 165 CO 0.00 0.48 -0.73 0.93 0.00 0.00 0.00 179.25 179.93 3ist h GLU 166 N 1.19 0.63 0.00 0.00 5.08 -1.22 -2.80 114.58 117.46 3ist h GLU 166 Ca 0.40 -0.49 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 3ist h GLU 166 Cb 0.06 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3ist h GLU 166 CO -0.14 1.12 -0.84 0.77 -1.00 0.00 0.00 179.01 178.92 3ist h SER 167 N 0.44 0.00 0.07 1.42 0.02 -0.82 -3.35 113.55 111.33 3ist h SER 167 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3ist h SER 167 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3ist h SER 167 CO 0.14 0.84 -0.76 0.18 -1.14 0.00 0.00 176.83 176.09 3ist n LEU 168 N -3.54 1.21 -0.28 5.07 4.77 0.18 -4.43 117.00 119.98 3ist n LEU 168 Ca -0.00 -0.49 0.10 0.00 -0.03 0.00 0.00 56.01 55.59 3ist n LEU 168 Cb 0.80 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 42.10 3ist n LEU 168 CO 0.45 0.26 0.95 0.25 -1.33 0.00 0.00 177.39 177.98 3ist h LEU 169 N 0.71 0.05 -1.45 2.23 5.85 -1.63 0.40 115.31 121.47 3ist h LEU 169 Ca 0.00 0.17 0.18 0.00 0.84 0.00 0.00 57.88 59.07 3ist h LEU 169 Cb 0.57 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 3ist h LEU 169 CO 0.00 -0.09 0.58 -0.65 -0.34 0.00 0.00 178.44 177.94 3ist h PRO 170 N 0.26 0.47 -0.26 5.25 0.11 -1.87 -0.58 132.00 135.39 3ist h PRO 170 Ca 0.50 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.66 3ist h PRO 170 Cb 0.95 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3ist h PRO 170 CO -0.58 0.31 0.20 -0.07 -0.21 0.00 0.00 178.00 177.65 3ist h LEU 171 N 0.48 0.00 -0.32 2.35 3.38 -1.23 -0.64 115.31 119.34 3ist h LEU 171 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3ist h LEU 171 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3ist h LEU 171 CO -0.18 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.64 3ist n LYS 172 N -4.28 0.08 0.00 1.13 5.02 -0.23 -1.50 118.16 118.39 3ist n LYS 172 Ca 0.03 0.34 0.14 0.00 -2.02 0.00 0.00 58.31 56.80 3ist n LYS 172 Cb 0.36 -1.66 0.61 0.00 -0.02 0.00 0.00 35.03 34.31 3ist n LYS 172 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ist n SER 173 N -1.82 0.58 -4.91 4.39 7.64 -0.25 -4.91 113.62 114.34 3ist n SER 173 Ca 0.03 -0.72 -0.25 0.00 1.01 0.00 0.00 58.87 58.94 3ist n SER 173 Cb 0.19 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3ist n SER 173 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ist s THR 174 N -2.39 1.89 -0.63 0.44 -4.23 -0.56 -5.03 115.64 105.13 3ist s THR 174 Ca 0.31 -1.42 0.16 0.00 -1.18 0.00 0.00 61.69 59.56 3ist s THR 174 Cb 0.20 -2.31 0.59 0.00 1.34 0.00 0.00 72.50 72.32 3ist s THR 174 CO 0.46 0.00 1.51 0.29 -0.54 0.00 0.00 174.62 176.33 3ist n LYS 175 N -1.77 3.47 -1.72 3.99 5.02 -1.26 -5.02 118.16 120.87 3ist n LYS 175 Ca 0.01 -2.76 -0.43 0.00 -2.02 0.00 0.00 58.31 53.12 3ist n LYS 175 Cb 0.64 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3ist n LYS 175 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3ist n ILE 176 N 0.36 1.07 0.14 -0.18 5.41 -1.26 -4.87 119.36 120.03 3ist n ILE 176 Ca 0.22 -0.27 0.02 0.00 1.00 0.00 0.00 62.75 63.72 3ist n ILE 176 Cb 0.85 -1.78 0.02 0.00 -0.71 0.00 0.00 39.64 38.01 3ist n ILE 176 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3ist n ASP 177 N 2.05 1.38 -3.71 4.38 5.75 -0.81 -4.86 116.55 120.72 3ist n ASP 177 Ca 0.09 -1.22 -0.11 0.00 -0.01 0.00 0.00 54.79 53.54 3ist n ASP 177 Cb 0.35 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.32 3ist n ASP 177 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3ist s THR 178 N -0.36 -0.03 -0.14 2.12 2.01 -1.24 -0.74 115.64 117.27 3ist s THR 178 Ca 0.05 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.16 3ist s THR 178 Cb 0.03 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.04 3ist s THR 178 CO 0.05 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.19 3ist s VAL 179 N 1.26 1.49 -0.05 3.82 1.01 0.04 -0.77 120.40 127.19 3ist s VAL 179 Ca -0.09 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 3ist s VAL 179 Cb -0.09 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3ist s VAL 179 CO -0.10 0.44 0.81 -0.63 0.00 0.00 0.00 175.10 175.62 3ist s ILE 180 N 1.41 4.97 -1.00 2.22 1.01 0.38 -0.35 121.20 129.85 3ist s ILE 180 Ca 0.03 1.68 -0.22 0.00 0.00 0.00 0.00 60.65 62.14 3ist s ILE 180 Cb -0.13 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.26 3ist s ILE 180 CO -0.09 0.21 1.36 -0.76 0.00 0.00 0.00 174.94 175.66 3ist s LEU 181 N 0.95 3.95 -0.16 2.97 1.43 -0.36 -1.15 118.68 126.32 3ist s LEU 181 Ca 0.43 -1.64 0.05 0.00 -1.03 0.00 0.00 54.13 51.94 3ist s LEU 181 Cb -0.19 -2.52 0.37 0.00 0.03 0.00 0.00 46.19 43.88 3ist s LEU 181 CO 0.21 -1.38 1.27 0.61 0.23 0.00 0.00 176.35 177.29 3ist n GLY 182 N 6.47 2.69 2.84 -3.19 0.00 0.10 -4.59 105.19 109.51 3ist n GLY 182 Ca 0.31 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 3ist n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ist n THR 184 N 3.71 0.83 0.19 0.00 -2.24 -1.26 -1.33 114.28 114.19 3ist n THR 184 Ca -0.21 0.22 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 3ist n THR 184 Cb 0.54 -1.15 0.37 0.00 -2.10 0.00 0.00 70.33 68.00 3ist n THR 184 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3ist h HIS 185 N 0.00 0.00 0.00 4.78 3.86 -1.91 -3.38 115.15 118.50 3ist h HIS 185 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 3ist h HIS 185 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3ist h HIS 185 CO 0.00 0.35 -0.20 1.88 0.86 0.00 0.00 177.93 180.83 3ist h TYR 186 N 0.00 0.00 0.00 2.45 0.05 -1.56 -2.44 116.97 115.47 3ist h TYR 186 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ist h TYR 186 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 3ist h TYR 186 CO 0.00 0.20 0.00 -1.35 -1.05 0.00 0.00 178.16 175.96 3ist h PRO 187 N 0.00 0.00 0.00 4.88 0.11 -1.77 0.43 132.00 135.66 3ist h PRO 187 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ist h PRO 187 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3ist h PRO 187 CO 0.03 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.75 3ist h LEU 188 N 0.00 0.00 -2.35 2.35 4.07 -1.73 -1.42 115.31 116.22 3ist h LEU 188 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ist h LEU 188 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3ist h LEU 188 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.54 3ist n LEU 189 N -2.87 3.40 -0.19 1.67 4.77 0.13 -4.73 117.00 119.19 3ist n LEU 189 Ca -0.02 -1.54 -0.01 0.00 -0.03 0.00 0.00 56.01 54.41 3ist n LEU 189 Cb 0.13 -0.25 0.21 0.00 -2.33 0.00 0.00 43.42 41.17 3ist n LEU 189 CO 0.20 0.74 1.11 0.50 -1.33 0.00 0.00 177.39 178.62 3ist h LYS 190 N 4.22 0.94 -0.93 3.23 3.64 -1.19 -1.17 116.57 125.32 3ist h LYS 190 Ca 0.00 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3ist h LYS 190 Cb 0.95 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 3ist h LYS 190 CO 0.00 0.72 0.57 -1.35 -2.27 0.00 0.00 179.45 177.12 3ist h PRO 191 N 0.94 1.26 -0.17 1.90 0.11 -1.85 -0.16 132.00 134.04 3ist h PRO 191 Ca 0.23 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 3ist h PRO 191 Cb 0.08 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 3ist h PRO 191 CO -0.03 0.88 -0.15 0.82 -0.21 0.00 0.00 178.00 179.31 3ist h ILE 192 N 1.28 1.34 -0.49 4.15 2.04 -1.70 -1.69 117.51 122.44 3ist h ILE 192 Ca 0.34 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.95 3ist h ILE 192 Cb -0.06 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3ist h ILE 192 CO -0.06 0.39 0.23 0.40 0.00 0.00 0.00 178.15 179.10 3ist h ILE 193 N 0.05 0.92 -0.59 -0.67 2.04 -0.72 -1.45 117.51 117.09 3ist h ILE 193 Ca 0.03 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3ist h ILE 193 Cb 0.68 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3ist h ILE 193 CO 0.04 0.08 0.25 -0.33 0.00 0.00 0.00 178.15 178.19 3ist h GLU 194 N 0.45 0.88 -0.68 2.37 5.08 -1.05 -2.57 114.58 119.05 3ist h GLU 194 Ca 0.22 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3ist h GLU 194 Cb 0.17 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3ist h GLU 194 CO -0.18 0.74 0.27 -0.97 -1.00 0.00 0.00 179.01 177.87 3ist h ASN 195 N 0.82 0.92 0.00 1.42 -0.00 -1.13 0.12 115.58 117.73 3ist h ASN 195 Ca 0.20 -0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 3ist h ASN 195 Cb 0.18 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.26 3ist h ASN 195 CO -0.02 0.82 0.00 0.33 -0.00 0.00 0.00 177.43 178.56 3ist n PHE 196 N -4.30 0.00 -3.95 0.67 7.35 -0.56 -4.97 117.46 111.70 3ist n PHE 196 Ca 0.06 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.76 3ist n PHE 196 Cb 0.18 -0.01 0.01 0.00 0.35 0.00 0.00 39.48 40.01 3ist n PHE 196 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3ist s GLY 198 N -1.33 -0.09 0.02 7.13 0.00 0.03 -5.11 107.32 107.97 3ist s GLY 198 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 44.72 44.92 3ist s GLY 198 CO 0.00 4.71 1.67 1.22 0.00 0.00 0.00 173.10 180.70 3ist n ASP 199 N -1.07 0.08 -0.11 1.64 8.00 -1.26 -2.89 116.55 120.93 3ist n ASP 199 Ca 0.02 0.51 0.14 0.00 0.71 0.00 0.00 54.79 56.17 3ist n ASP 199 Cb 0.59 -0.53 0.67 0.00 -0.02 0.00 0.00 41.12 41.82 3ist n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ist n GLY 200 N 0.63 -0.94 3.10 0.44 0.00 -1.26 -4.78 105.19 102.37 3ist n GLY 200 Ca 0.05 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3ist n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ist s VAL 201 N -2.41 1.89 -0.24 1.61 1.01 -1.14 -4.71 120.40 116.42 3ist s VAL 201 Ca 0.32 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 3ist s VAL 201 Cb 0.20 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3ist s VAL 201 CO 0.45 0.51 0.89 0.00 0.00 0.00 0.00 175.10 176.95 3ist s ALA 202 N 1.23 3.66 -0.27 5.51 0.00 0.09 -4.87 121.76 127.11 3ist s ALA 202 Ca 0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 3ist s ALA 202 Cb -0.14 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3ist s ALA 202 CO -0.09 -0.97 0.19 0.08 0.00 0.00 0.00 175.76 174.97 3ist s VAL 203 N 2.95 5.31 -0.30 0.00 1.01 -1.26 -0.78 120.40 127.33 3ist s VAL 203 Ca 0.37 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 3ist s VAL 203 Cb -0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3ist s VAL 203 CO 0.07 0.27 0.19 -0.63 0.00 0.00 0.00 175.10 175.01 3ist s ILE 204 N 1.58 5.14 -0.30 2.22 -1.09 0.53 -4.96 121.20 124.32 3ist s ILE 204 Ca 0.08 -0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.28 3ist s ILE 204 Cb -0.15 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 3ist s ILE 204 CO 0.09 0.15 0.43 0.21 -1.23 0.00 0.00 174.94 174.59 3ist s ASN 205 N 1.72 6.28 0.00 3.58 3.84 -1.26 -1.22 114.94 127.88 3ist s ASN 205 Ca 0.06 0.13 0.25 0.00 0.21 0.00 0.00 52.86 53.52 3ist s ASN 205 Cb -0.17 -2.23 1.41 0.00 -0.55 0.00 0.00 41.25 39.72 3ist s ASN 205 CO 0.10 -0.31 1.92 -1.54 -2.79 0.00 0.00 177.10 174.48 3ist n SER 206 N 5.48 0.24 -0.31 -4.21 3.41 -1.26 -3.95 113.62 113.01 3ist n SER 206 Ca -0.07 -1.27 -0.04 0.00 -0.26 0.00 0.00 58.87 57.23 3ist n SER 206 Cb 0.50 -0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.52 3ist n SER 206 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ist h GLY 207 N 5.17 1.18 0.97 5.00 0.00 -1.93 -1.66 103.07 111.80 3ist h GLY 207 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ist h GLY 207 CO 0.00 0.44 0.18 -2.09 0.00 0.00 0.00 176.54 175.07 3ist h GLU 208 N 1.13 0.44 -0.36 4.80 4.81 -1.85 -1.16 114.58 122.39 3ist h GLU 208 Ca 0.30 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 3ist h GLU 208 Cb -0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3ist h GLU 208 CO -0.06 0.36 -0.21 1.49 -0.73 0.00 0.00 179.01 179.85 3ist h GLU 209 N 0.40 0.71 -0.20 1.92 4.57 -1.81 -1.39 114.58 118.79 3ist h GLU 209 Ca 0.11 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3ist h GLU 209 Cb 0.04 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3ist h GLU 209 CO -0.02 0.86 0.08 1.15 -1.18 0.00 0.00 179.01 179.91 3ist h THR 210 N 0.62 1.16 -0.42 0.32 2.02 -1.22 -1.78 112.91 113.61 3ist h THR 210 Ca 0.09 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 3ist h THR 210 Cb 0.70 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3ist h THR 210 CO 0.05 0.15 0.10 0.00 0.37 0.00 0.00 175.52 176.19 3ist h ALA 211 N 0.93 1.38 -0.82 6.16 0.00 -1.11 -1.54 119.26 124.26 3ist h ALA 211 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ist h ALA 211 Cb 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ist h ALA 211 CO -0.01 0.44 0.54 1.03 0.00 0.00 0.00 179.25 181.26 3ist h SER 212 N 0.61 0.94 -0.39 0.00 0.87 -0.97 -1.53 113.55 113.07 3ist h SER 212 Ca 0.14 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 3ist h SER 212 Cb 0.24 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3ist h SER 212 CO -0.00 0.67 -0.19 -0.08 -0.53 0.00 0.00 176.83 176.71 3ist h GLU 213 N 1.11 0.88 -0.07 2.24 4.81 -0.53 -0.71 114.58 122.30 3ist h GLU 213 Ca 0.30 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3ist h GLU 213 Cb -0.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3ist h GLU 213 CO -0.07 0.99 -0.06 0.28 -0.73 0.00 0.00 179.01 179.43 3ist h VAL 214 N 0.77 0.83 -0.40 0.32 2.07 -1.04 0.07 116.25 118.88 3ist h VAL 214 Ca 0.11 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 3ist h VAL 214 Cb 0.72 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3ist h VAL 214 CO 0.06 0.00 0.26 -1.28 0.02 0.00 0.00 177.57 176.62 3ist h SER 215 N -0.07 0.44 -0.66 0.57 0.87 -1.00 -0.87 113.55 112.83 3ist h SER 215 Ca 0.05 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3ist h SER 215 Cb 0.14 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3ist h SER 215 CO -0.12 0.32 0.37 0.00 -0.53 0.00 0.00 176.83 176.88 3ist h ALA 216 N 1.15 0.85 -0.24 6.23 0.00 -0.87 -1.48 119.26 124.90 3ist h ALA 216 Ca 0.15 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3ist h ALA 216 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3ist h ALA 216 CO -0.04 0.35 -0.60 -0.07 0.00 0.00 0.00 179.25 178.89 3ist h LEU 217 N 0.91 0.92 -0.75 0.00 3.38 -0.71 -0.92 115.31 118.13 3ist h LEU 217 Ca 0.23 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3ist h LEU 217 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3ist h LEU 217 CO -0.04 1.31 0.36 -0.07 0.09 0.00 0.00 178.44 180.09 3ist h LEU 218 N 0.61 0.98 -0.41 1.67 3.38 -1.07 -0.97 115.31 119.50 3ist h LEU 218 Ca -0.00 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3ist h LEU 218 Cb 1.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3ist h LEU 218 CO 0.13 0.84 -0.19 -0.78 0.09 0.00 0.00 178.44 178.52 3ist h ASP 219 N 1.05 0.88 -0.73 -0.43 3.58 -1.12 0.93 116.42 120.59 3ist h ASP 219 Ca 0.26 -0.40 0.02 0.00 0.42 0.00 0.00 57.03 57.32 3ist h ASP 219 Cb 0.11 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 3ist h ASP 219 CO -0.03 1.09 0.48 0.22 -2.88 0.00 0.00 179.24 178.11 3ist h TYR 220 N 0.68 0.90 -0.47 0.28 3.20 -0.90 -2.46 116.97 118.19 3ist h TYR 220 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3ist h TYR 220 Cb 0.75 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3ist h TYR 220 CO 0.06 0.55 0.00 0.72 -1.64 0.00 0.00 178.16 177.84 3ist n HIS 221 N -4.60 0.63 -3.56 -3.82 8.25 -0.39 -4.95 115.22 106.78 3ist n HIS 221 Ca 0.07 -0.31 -0.20 0.00 -0.26 0.00 0.00 57.72 57.02 3ist n HIS 221 Cb 0.04 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.22 3ist n HIS 221 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ist n ASN 222 N 0.92 -2.44 0.00 0.41 5.15 -0.93 -4.93 115.26 113.45 3ist n ASN 222 Ca 0.16 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 3ist n ASN 222 Cb 0.41 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 34.93 3ist n ASN 222 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3ist n LEU 223 N -4.31 1.47 -4.77 1.20 4.77 0.28 -5.04 117.00 110.61 3ist n LEU 223 Ca -0.24 -1.47 -0.39 0.00 -0.03 0.00 0.00 56.01 53.88 3ist n LEU 223 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3ist n LEU 223 CO 0.64 0.37 0.96 -0.76 -1.33 0.00 0.00 177.39 177.28 3ist s LEU 224 N -0.49 4.16 0.33 2.23 1.43 -1.21 -4.95 118.68 120.18 3ist s LEU 224 Ca 0.00 2.66 -0.28 0.00 -1.03 0.00 0.00 54.13 55.48 3ist s LEU 224 Cb 0.00 -3.97 -0.10 0.00 0.03 0.00 0.00 46.19 42.16 3ist s LEU 224 CO 0.00 -0.95 1.25 -0.62 0.23 0.00 0.00 176.35 176.26 3ist s ASP 225 N -0.78 6.82 -0.06 2.29 2.15 -1.26 -4.92 116.67 120.90 3ist s ASP 225 Ca 0.59 2.57 0.09 0.00 0.43 0.00 0.00 52.55 56.23 3ist s ASP 225 Cb -0.38 -2.64 0.14 0.00 -0.30 0.00 0.00 42.92 39.74 3ist s ASP 225 CO 0.48 -0.49 1.03 0.00 -0.17 0.00 0.00 175.17 176.02 3ist n ALA 226 N 0.76 2.04 -2.64 3.66 0.00 -1.26 -5.02 120.51 118.05 3ist n ALA 226 Ca 0.00 -1.73 -0.23 0.00 0.00 0.00 0.00 53.44 51.48 3ist n ALA 226 Cb 0.43 -0.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 3ist n ALA 226 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ist s THR 227 N -1.50 3.57 -1.99 0.00 -4.23 -1.26 -5.02 115.64 105.20 3ist s THR 227 Ca 0.15 -1.70 0.13 0.00 -1.18 0.00 0.00 61.69 59.10 3ist s THR 227 Cb 0.13 -3.03 0.39 0.00 1.34 0.00 0.00 72.50 71.33 3ist s THR 227 CO 0.01 -0.30 1.32 -0.90 -0.54 0.00 0.00 174.62 174.21 3ist n ASP 228 N -1.07 2.35 -4.76 3.99 5.75 -1.26 -4.98 116.55 116.58 3ist n ASP 228 Ca -0.05 -2.00 -0.37 0.00 -0.01 0.00 0.00 54.79 52.36 3ist n ASP 228 Cb 0.59 -0.29 0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3ist n ASP 228 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ist s GLU 229 N -1.42 3.23 0.18 0.11 2.02 -1.26 -4.89 118.70 116.67 3ist s GLU 229 Ca 0.29 1.87 -0.32 0.00 0.02 0.00 0.00 54.97 56.84 3ist s GLU 229 Cb 0.15 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 32.16 3ist s GLU 229 CO 0.20 -1.01 1.59 -2.00 0.02 0.00 0.00 175.26 174.06 3ist s GLU 230 N -3.09 4.20 0.09 1.61 2.12 -1.26 -4.93 118.70 117.44 3ist s GLU 230 Ca 0.73 2.41 -0.31 0.00 0.36 0.00 0.00 54.97 58.16 3ist s GLU 230 Cb -0.31 -3.13 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 3ist s GLU 230 CO 0.36 -0.63 1.33 0.42 -0.54 0.00 0.00 175.26 176.20 3ist s ILE 231 N 1.05 3.56 -0.52 -3.70 1.01 -1.26 -4.88 121.20 116.45 3ist s ILE 231 Ca 0.70 1.11 0.04 0.00 0.00 0.00 0.00 60.65 62.50 3ist s ILE 231 Cb -0.45 -3.71 0.16 0.00 0.01 0.00 0.00 42.46 38.47 3ist s ILE 231 CO 0.33 0.08 0.35 -1.61 0.00 0.00 0.00 174.94 174.09 3ist s GLU 232 N 1.18 1.59 0.63 2.79 2.02 -1.26 -5.11 118.70 120.53 3ist s GLU 232 Ca 0.63 -2.50 -0.16 0.00 0.02 0.00 0.00 54.97 52.96 3ist s GLU 232 Cb -0.34 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 3ist s GLU 232 CO 0.30 -1.27 1.10 -1.01 0.02 0.00 0.00 175.26 174.40 3ist s HIS 233 N -0.35 2.72 -0.03 1.61 3.76 -1.26 -4.78 115.29 116.97 3ist s HIS 233 Ca 0.24 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.70 3ist s HIS 233 Cb -0.10 -3.14 0.03 0.00 1.11 0.00 0.00 32.58 30.47 3ist s HIS 233 CO -0.11 -1.52 0.00 1.03 -0.85 0.00 0.00 174.74 173.29 3ist s ARG 234 N -3.97 0.24 -0.06 1.40 1.81 -0.29 -4.56 118.95 113.52 3ist s ARG 234 Ca 0.67 0.09 0.03 0.00 -1.72 0.00 0.00 55.73 54.80 3ist s ARG 234 Cb -0.20 -0.43 -0.02 0.00 -0.45 0.00 0.00 34.95 33.85 3ist s ARG 234 CO 0.38 -0.13 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.66 3ist s PHE 235 N 0.97 2.70 -0.02 -0.53 0.08 -0.49 -0.98 117.98 119.70 3ist s PHE 235 Ca -0.09 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.74 3ist s PHE 235 Cb -0.13 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 3ist s PHE 235 CO -0.02 0.11 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.04 3ist s PHE 236 N -0.56 1.05 0.03 0.36 0.08 0.61 -1.05 117.98 118.50 3ist s PHE 236 Ca 0.08 -0.24 0.02 0.00 0.12 0.00 0.00 56.93 56.91 3ist s PHE 236 Cb -0.11 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 3ist s PHE 236 CO 0.01 -0.07 -0.06 -0.08 -0.10 0.00 0.00 175.22 174.93 3ist s THR 237 N -0.04 0.40 -2.32 0.64 -1.32 -0.36 -1.12 115.64 111.51 3ist s THR 237 Ca 0.00 -0.88 0.27 0.00 -1.21 0.00 0.00 61.69 59.88 3ist s THR 237 Cb -0.07 -0.46 0.46 0.00 -1.51 0.00 0.00 72.50 70.91 3ist s THR 237 CO 0.00 -0.33 1.67 0.35 -2.21 0.00 0.00 174.62 174.11 3ist n THR 238 N 1.77 0.00 -1.32 5.08 -2.24 -0.90 -1.31 114.28 115.36 3ist n THR 238 Ca -0.21 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3ist n THR 238 Cb 0.55 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3ist n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ist n GLY 239 N 1.23 2.83 3.73 3.38 0.00 -1.26 -4.18 105.19 110.91 3ist n GLY 239 Ca 0.17 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3ist n GLY 239 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ist s SER 240 N -0.43 7.42 0.22 1.61 0.15 -1.26 -4.76 113.70 116.65 3ist s SER 240 Ca 0.00 1.87 0.01 0.00 0.70 0.00 0.00 55.95 58.53 3ist s SER 240 Cb 0.00 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 61.92 3ist s SER 240 CO 0.00 -0.13 1.54 0.71 1.20 0.00 0.00 173.24 176.57 3ist h THR 241 N 4.01 1.35 -0.25 6.45 1.35 -1.93 -2.98 112.91 120.91 3ist h THR 241 Ca -0.43 -1.88 -0.06 0.00 -0.55 0.00 0.00 66.41 63.49 3ist h THR 241 Cb 1.21 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 3ist h THR 241 CO 0.72 0.57 -0.09 -0.61 -0.25 0.00 0.00 175.52 175.86 3ist h GLN 242 N 0.28 0.51 -0.50 4.72 5.75 -1.96 0.59 115.11 124.51 3ist h GLN 242 Ca 0.00 -0.21 -0.13 0.00 -0.15 0.00 0.00 58.65 58.16 3ist h GLN 242 Cb 1.09 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 3ist h GLN 242 CO 0.10 0.75 -0.19 0.97 -2.65 0.00 0.00 178.83 177.81 3ist h ILE 243 N 0.24 1.27 -0.42 2.39 6.09 -1.99 -0.68 117.51 124.41 3ist h ILE 243 Ca 0.06 -1.35 0.08 0.00 -1.37 0.00 0.00 64.86 62.27 3ist h ILE 243 Cb 0.58 1.07 -0.07 0.00 0.47 0.00 0.00 36.82 38.88 3ist h ILE 243 CO 0.03 0.47 0.03 0.15 -3.07 0.00 0.00 178.15 175.76 3ist h PHE 244 N 0.88 0.03 -0.89 2.19 3.57 -1.38 -2.59 116.94 118.75 3ist h PHE 244 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3ist h PHE 244 Cb 0.77 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3ist h PHE 244 CO 0.05 -0.06 0.53 0.87 -2.23 0.00 0.00 178.31 177.48 3ist h LYS 245 N 0.14 1.21 -0.90 1.11 1.57 -0.48 0.12 116.57 119.34 3ist h LYS 245 Ca 0.21 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3ist h LYS 245 Cb 0.29 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3ist h LYS 245 CO -0.32 0.85 0.49 -0.44 -0.57 0.00 0.00 179.45 179.46 3ist h ASP 246 N 1.23 1.12 0.03 0.86 3.32 -0.83 0.23 116.42 122.39 3ist h ASP 246 Ca 0.32 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 3ist h ASP 246 Cb -0.05 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.23 3ist h ASP 246 CO -0.06 0.90 -0.37 0.40 -1.72 0.00 0.00 179.24 178.39 3ist h ILE 247 N 1.26 1.58 -0.72 0.35 2.04 -1.08 -3.11 117.51 117.82 3ist h ILE 247 Ca 0.32 -2.19 -0.03 0.00 1.00 0.00 0.00 64.86 63.96 3ist h ILE 247 Cb 0.02 2.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 3ist h ILE 247 CO -0.05 0.60 0.32 0.00 0.00 0.00 0.00 178.15 179.02 3ist h ALA 248 N 0.17 0.93 -0.04 1.87 0.00 -0.58 -0.88 119.26 120.73 3ist h ALA 248 Ca -0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3ist h ALA 248 Cb 1.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ist h ALA 248 CO 0.07 0.52 -0.26 0.87 0.00 0.00 0.00 179.25 180.45 3ist h LYS 249 N 1.02 0.07 0.01 0.00 1.57 -0.67 0.51 116.57 119.07 3ist h LYS 249 Ca 0.24 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ist h LYS 249 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3ist h LYS 249 CO -0.03 0.33 -0.00 0.22 -0.57 0.00 0.00 179.45 179.39 3ist h ASP 250 N 0.06 -0.01 -0.12 0.86 3.58 -1.31 -2.59 116.42 116.89 3ist h ASP 250 Ca 0.01 -0.35 -0.14 0.00 0.42 0.00 0.00 57.03 56.97 3ist h ASP 250 Cb 0.49 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.55 3ist h ASP 250 CO 0.04 0.35 -0.47 -0.25 -2.88 0.00 0.00 179.24 176.03 3ist h TRP 251 N -0.37 0.70 0.00 0.28 2.91 -1.04 -3.36 115.95 115.07 3ist h TRP 251 Ca -0.00 -0.30 -0.09 0.00 1.13 0.00 0.00 58.89 59.63 3ist h TRP 251 Cb 0.36 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 3ist h TRP 251 CO 0.05 1.07 -1.31 1.28 -1.03 0.00 0.00 178.44 178.49 3ist n LEU 252 N -4.25 0.77 -2.33 0.65 4.77 0.16 -5.03 117.00 111.74 3ist n LEU 252 Ca -0.08 0.32 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3ist n LEU 252 Cb 0.58 0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3ist n LEU 252 CO 0.46 0.00 -0.42 -3.20 -1.33 0.00 0.00 177.39 172.90 3ist n ASN 253 N -2.75 -7.55 0.00 -1.43 2.85 -0.98 -5.05 115.26 100.36 3ist n ASN 253 Ca -0.06 1.71 0.00 0.00 -0.11 0.00 0.00 54.58 56.12 3ist n ASN 253 Cb 0.71 -4.59 0.00 0.00 1.24 0.00 0.00 39.78 37.13 3ist n ASN 253 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3ist n PRO 255 N 1.89 1.09 -3.71 1.20 -0.04 -1.26 -5.11 135.00 129.06 3ist n PRO 255 Ca -0.02 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.05 3ist n PRO 255 Cb 0.03 -0.37 -0.12 0.00 -0.04 0.00 0.00 33.50 33.00 3ist n PRO 255 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ist s ASP 256 N -0.76 5.42 -0.16 3.54 1.01 -1.26 -5.11 116.67 119.36 3ist s ASP 256 Ca 0.00 -1.18 -0.04 0.00 0.71 0.00 0.00 52.55 52.03 3ist s ASP 256 Cb 0.00 -1.91 0.08 0.00 1.01 0.00 0.00 42.92 42.10 3ist s ASP 256 CO 0.00 -0.37 0.24 -0.89 0.21 0.00 0.00 175.17 174.36 3ist s THR 258 N 1.42 -0.37 -0.10 -1.27 2.01 -1.26 -5.11 115.64 110.96 3ist s THR 258 Ca -0.00 0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 3ist s THR 258 Cb -0.20 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.79 3ist s THR 258 CO 0.03 -0.03 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.18 3ist s VAL 259 N 2.38 0.90 0.17 3.82 1.01 -1.26 -1.40 120.40 126.02 3ist s VAL 259 Ca 0.05 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3ist s VAL 259 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3ist s VAL 259 CO -0.10 0.34 -0.16 -1.83 0.00 0.00 0.00 175.10 173.35 3ist s GLU 260 N 1.57 1.24 0.01 2.72 -1.05 -0.21 -4.96 118.70 118.01 3ist s GLU 260 Ca 0.02 -1.43 -0.16 0.00 -0.15 0.00 0.00 54.97 53.24 3ist s GLU 260 Cb -0.13 -1.17 -0.06 0.00 -0.44 0.00 0.00 34.13 32.33 3ist s GLU 260 CO -0.06 0.22 0.46 -1.58 0.95 0.00 0.00 175.26 175.25 3ist s HIS 261 N -2.36 3.74 0.17 4.83 5.65 -1.26 -1.23 115.29 124.83 3ist s HIS 261 Ca 0.16 1.07 0.03 0.00 0.25 0.00 0.00 55.06 56.57 3ist s HIS 261 Cb -0.04 -2.37 -0.05 0.00 -1.18 0.00 0.00 32.58 28.94 3ist s HIS 261 CO 0.06 0.59 -0.04 0.96 -0.65 0.00 0.00 174.74 175.66 3ist s ILE 262 N -0.95 0.91 -0.12 0.89 -4.36 -0.42 -4.90 121.20 112.25 3ist s ILE 262 Ca 0.25 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 3ist s ILE 262 Cb -0.17 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 3ist s ILE 262 CO 0.15 -0.56 -0.12 -0.75 0.24 0.00 0.00 174.94 173.89 3ist s LYS 263 N -3.84 3.28 0.35 0.37 2.20 -1.26 -4.25 119.74 116.58 3ist s LYS 263 Ca 0.21 -0.66 0.09 0.00 -0.36 0.00 0.00 55.97 55.25 3ist s LYS 263 Cb 0.05 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 3ist s LYS 263 CO 0.03 0.29 0.06 -0.51 -0.36 0.00 0.00 175.35 174.86 3ist s LEU 264 N 0.17 3.07 0.00 5.43 1.43 -1.26 -5.14 118.68 122.38 3ist s LEU 264 Ca -0.07 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 3ist s LEU 264 Cb -0.15 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3ist s LEU 264 CO 0.05 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.95