#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i04 h ASP 3 N 0.00 -0.03 -1.19 8.00 5.19 -2.04 -2.87 116.42 123.49 3i04 h ASP 3 Ca 0.00 -0.20 0.42 0.00 -0.62 0.00 0.00 57.03 56.63 3i04 h ASP 3 Cb 0.00 0.01 -0.15 0.00 0.18 0.00 0.00 39.33 39.37 3i04 h ASP 3 CO 0.00 0.19 0.72 0.15 -3.12 0.00 0.00 179.24 177.18 3i04 h PHE 4 N -0.24 0.67 0.00 4.55 3.57 -2.01 0.49 116.94 123.97 3i04 h PHE 4 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i04 h PHE 4 Cb 0.23 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3i04 h PHE 4 CO -0.00 -0.30 0.00 -0.25 -2.23 0.00 0.00 178.31 175.52 3i04 n ASP 5 N -4.93 0.00 0.12 0.41 10.43 -1.08 -2.27 116.55 119.23 3i04 n ASP 5 Ca 0.37 -0.05 -0.02 0.00 2.57 0.00 0.00 54.79 57.66 3i04 n ASP 5 Cb 1.35 -0.05 0.18 0.00 1.84 0.00 0.00 41.12 44.44 3i04 n ASP 5 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 177.20 176.20 3i04 h LYS 6 N 0.00 0.11 -0.06 -1.24 2.10 -1.06 -3.02 116.57 113.41 3i04 h LYS 6 Ca 0.00 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 3i04 h LYS 6 Cb 0.01 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3i04 h LYS 6 CO 0.00 0.64 0.20 -0.84 -2.00 0.00 0.00 179.45 177.45 3i04 h ILE 7 N 0.08 0.13 -0.02 0.07 3.07 -1.70 -0.72 117.51 118.43 3i04 h ILE 7 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3i04 h ILE 7 Cb 1.01 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 3i04 h ILE 7 CO 0.08 0.00 -0.37 0.49 -1.05 0.00 0.00 178.15 177.30 3i04 n PHE 8 N -3.21 0.00 -2.36 0.16 3.01 -1.14 -4.91 117.46 109.01 3i04 n PHE 8 Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 3i04 n PHE 8 Cb 0.27 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.70 3i04 n PHE 8 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3i04 s GLU 9 N -2.41 4.26 0.00 -1.08 2.12 -0.28 -2.95 118.70 118.35 3i04 s GLU 9 Ca 0.21 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.30 3i04 s GLU 9 Cb 0.19 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.85 3i04 s GLU 9 CO 0.53 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 3i04 n GLY 10 N 3.62 0.97 0.22 -1.50 0.00 -1.26 -4.95 105.19 102.30 3i04 n GLY 10 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 3i04 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 h ALA 11 N 0.00 0.67 -2.70 4.61 0.00 -1.86 -3.41 119.26 116.57 3i04 h ALA 11 Ca 0.00 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 54.24 3i04 h ALA 11 Cb 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 17.79 17.44 3i04 h ALA 11 CO 0.00 0.08 -0.28 0.42 0.00 0.00 0.00 179.25 179.47 3i04 s ILE 12 N -6.15 5.18 0.34 0.00 1.01 -1.26 -4.22 121.20 116.10 3i04 s ILE 12 Ca -0.13 0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 3i04 s ILE 12 Cb 0.13 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.75 3i04 s ILE 12 CO 0.74 0.08 1.36 -2.65 0.00 0.00 0.00 174.94 174.47 3i04 n PRO 13 N 5.33 2.27 -1.77 2.79 -0.02 -1.26 -4.94 135.00 137.40 3i04 n PRO 13 Ca -0.09 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 3i04 n PRO 13 Cb 0.50 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3i04 n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i04 n GLU 14 N 0.69 2.65 0.00 -0.52 4.07 -1.26 -2.62 120.64 123.65 3i04 n GLU 14 Ca 0.04 0.93 0.00 0.00 -0.06 0.00 0.00 57.16 58.07 3i04 n GLU 14 Cb 0.36 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.09 3i04 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i04 n GLY 15 N 0.59 1.64 1.44 8.31 0.00 -1.26 -4.89 105.19 111.02 3i04 n GLY 15 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3i04 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i04 n LYS 16 N -2.00 0.83 -1.76 1.61 4.76 -1.08 -5.07 118.16 115.45 3i04 n LYS 16 Ca 0.00 -2.65 -0.42 0.00 -2.87 0.00 0.00 58.31 52.37 3i04 n LYS 16 Cb 0.00 -0.75 -0.03 0.00 -1.84 0.00 0.00 35.03 32.41 3i04 n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i04 s GLU 17 N -1.51 4.15 -1.33 1.97 2.02 -1.26 -4.76 118.70 117.98 3i04 s GLU 17 Ca 0.35 2.55 -0.14 0.00 0.02 0.00 0.00 54.97 57.75 3i04 s GLU 17 Cb 0.38 -3.42 0.10 0.00 0.10 0.00 0.00 34.13 31.29 3i04 s GLU 17 CO -0.12 -0.78 1.87 -0.35 0.02 0.00 0.00 175.26 175.90 3i04 n PRO 18 N 5.06 3.20 -0.29 0.39 -0.04 -1.26 -4.83 135.00 137.23 3i04 n PRO 18 Ca 0.17 -3.22 0.08 0.00 -0.04 0.00 0.00 63.50 60.49 3i04 n PRO 18 Cb 0.38 -3.24 0.31 0.00 -0.04 0.00 0.00 33.50 30.91 3i04 n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i04 h VAL 19 N 4.55 0.93 0.00 0.52 2.07 -1.91 -1.74 116.25 120.67 3i04 h VAL 19 Ca 0.45 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3i04 h VAL 19 Cb 0.75 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3i04 h VAL 19 CO 1.59 0.16 -0.25 0.00 0.02 0.00 0.00 177.57 179.08 3i04 h ALA 20 N 1.56 1.38 0.21 1.67 0.00 -1.88 0.39 119.26 122.59 3i04 h ALA 20 Ca 0.43 -0.23 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 20 Cb 0.50 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i04 h ALA 20 CO -0.20 0.31 -1.54 1.25 0.00 0.00 0.00 179.25 179.08 3i04 h LEU 21 N 0.00 0.69 -0.89 0.00 5.85 -1.29 -2.60 115.31 117.06 3i04 h LEU 21 Ca -0.00 -0.82 -0.07 0.00 0.84 0.00 0.00 57.88 57.82 3i04 h LEU 21 Cb 0.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3i04 h LEU 21 CO 0.03 1.66 0.05 -0.26 -0.34 0.00 0.00 178.44 179.58 3i04 h PHE 22 N 0.12 0.92 -0.52 1.25 0.04 -1.20 -1.96 116.94 115.60 3i04 h PHE 22 Ca -0.27 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.37 3i04 h PHE 22 Cb 2.11 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 39.99 3i04 h PHE 22 CO 0.11 0.81 0.28 -0.09 -0.60 0.00 0.00 178.31 178.82 3i04 h ARG 23 N 0.82 0.72 -0.63 1.51 2.43 -0.97 -1.91 114.38 116.35 3i04 h ARG 23 Ca 0.16 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3i04 h ARG 23 Cb 0.42 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3i04 h ARG 23 CO 0.01 0.57 0.42 1.49 -1.51 0.00 0.00 179.97 180.95 3i04 h GLU 24 N 0.69 0.83 -0.93 0.20 4.81 -1.26 -0.54 114.58 118.38 3i04 h GLU 24 Ca 0.18 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3i04 h GLU 24 Cb 0.06 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 3i04 h GLU 24 CO -0.03 0.55 0.61 0.28 -0.73 0.00 0.00 179.01 179.70 3i04 h VAL 25 N 0.86 1.24 -0.01 0.32 2.07 -1.15 0.16 116.25 119.73 3i04 h VAL 25 Ca 0.23 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3i04 h VAL 25 Cb -0.10 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.55 3i04 h VAL 25 CO -0.05 0.23 0.00 0.22 0.02 0.00 0.00 177.57 178.00 3i04 h TYR 26 N 1.26 0.01 -0.57 1.57 -0.00 -0.94 0.31 116.97 118.62 3i04 h TYR 26 Ca 0.34 -0.00 0.06 0.00 -0.00 0.00 0.00 58.73 59.13 3i04 h TYR 26 Cb -0.14 -0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 36.54 3i04 h TYR 26 CO -0.01 0.25 0.28 0.45 -0.00 0.00 0.00 178.16 179.14 3i04 h HIS 27 N -0.23 0.51 -0.27 -3.82 3.86 -0.94 0.18 115.15 114.45 3i04 h HIS 27 Ca 0.00 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 3i04 h HIS 27 Cb 0.25 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3i04 h HIS 27 CO 0.01 0.23 -0.23 0.78 0.86 0.00 0.00 177.93 179.57 3i04 h GLY 28 N 0.53 0.56 1.29 2.45 0.00 -0.39 -1.76 103.07 105.75 3i04 h GLY 28 Ca 0.26 -0.45 -0.32 0.00 0.00 0.00 0.00 47.33 46.82 3i04 h GLY 28 CO -0.19 0.41 -1.41 0.00 0.00 0.00 0.00 176.54 175.35 3i04 h ALA 29 N 1.30 -0.10 -0.14 3.60 0.00 0.27 -0.52 119.26 123.66 3i04 h ALA 29 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 54.91 54.19 3i04 h ALA 29 Cb 0.66 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3i04 h ALA 29 CO 0.05 0.72 -0.32 0.82 0.00 0.00 0.00 179.25 180.51 3i04 h ILE 30 N 0.18 0.28 -0.49 0.00 2.04 -0.59 -0.34 117.51 118.58 3i04 h ILE 30 Ca -0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.66 3i04 h ILE 30 Cb 2.09 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3i04 h ILE 30 CO 0.26 0.00 0.27 0.74 0.00 0.00 0.00 178.15 179.42 3i04 h THR 31 N -0.39 1.00 -0.28 -0.27 2.02 -1.25 0.12 112.91 113.86 3i04 h THR 31 Ca 0.10 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 3i04 h THR 31 Cb 0.54 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3i04 h THR 31 CO -0.36 0.10 -0.29 0.00 0.37 0.00 0.00 175.52 175.34 3i04 h ALA 32 N 1.24 0.41 -0.22 6.16 0.00 -0.97 -1.36 119.26 124.53 3i04 h ALA 32 Ca 0.21 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3i04 h ALA 32 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i04 h ALA 32 CO -0.12 0.43 -0.59 1.79 0.00 0.00 0.00 179.25 180.75 3i04 h THR 33 N 0.43 1.29 -0.52 0.00 1.35 -0.77 -2.07 112.91 112.61 3i04 h THR 33 Ca 0.04 -1.79 0.02 0.00 -0.55 0.00 0.00 66.41 64.14 3i04 h THR 33 Cb 0.85 1.81 -0.03 0.00 -1.73 0.00 0.00 68.15 69.05 3i04 h THR 33 CO 0.07 0.57 0.31 0.28 -0.25 0.00 0.00 175.52 176.51 3i04 h SER 34 N 0.54 0.51 -0.19 5.36 0.02 -0.80 -1.66 113.55 117.32 3i04 h SER 34 Ca -0.01 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3i04 h SER 34 Cb 1.21 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3i04 h SER 34 CO 0.13 0.36 0.03 0.22 -1.14 0.00 0.00 176.83 176.43 3i04 h TYR 35 N 0.62 0.05 -1.00 3.45 3.20 -1.26 -1.59 116.97 120.45 3i04 h TYR 35 Ca 0.21 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.16 3i04 h TYR 35 Cb 0.02 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 3i04 h TYR 35 CO -0.06 0.01 0.65 0.00 -1.64 0.00 0.00 178.16 177.11 3i04 h ALA 36 N 1.14 1.41 -0.80 1.82 0.00 -1.22 -1.75 119.26 119.87 3i04 h ALA 36 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3i04 h ALA 36 Cb 0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3i04 h ALA 36 CO -0.12 0.44 0.51 1.49 0.00 0.00 0.00 179.25 181.58 3i04 h GLU 37 N 1.17 0.99 -0.35 0.00 4.22 -0.63 -0.12 114.58 119.86 3i04 h GLU 37 Ca 0.43 -0.06 -0.11 0.00 0.08 0.00 0.00 59.36 59.70 3i04 h GLU 37 Cb 0.16 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3i04 h GLU 37 CO -0.17 0.65 -0.20 0.82 -2.18 0.00 0.00 179.01 177.93 3i04 h ILE 38 N 1.02 1.29 -0.27 2.32 2.04 -0.90 -0.26 117.51 122.74 3i04 h ILE 38 Ca 0.31 -1.34 -0.15 0.00 1.00 0.00 0.00 64.86 64.69 3i04 h ILE 38 Cb -0.03 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3i04 h ILE 38 CO -0.10 0.44 -0.44 -0.07 0.00 0.00 0.00 178.15 177.98 3i04 h LEU 39 N 0.53 0.74 -0.03 1.44 3.38 -1.12 -2.23 115.31 118.02 3i04 h LEU 39 Ca 0.07 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 3i04 h LEU 39 Cb 0.75 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3i04 h LEU 39 CO 0.06 1.08 -0.30 0.25 0.09 0.00 0.00 178.44 179.61 3i04 h LEU 40 N 0.56 0.32 -1.07 1.67 5.85 -0.87 -1.31 115.31 120.46 3i04 h LEU 40 Ca 0.04 -0.71 -0.08 0.00 0.84 0.00 0.00 57.88 57.97 3i04 h LEU 40 Cb 0.98 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3i04 h LEU 40 CO 0.09 0.98 -0.23 0.78 -0.34 0.00 0.00 178.44 179.72 3i04 h ASN 41 N -0.31 0.38 -0.23 1.25 2.35 -1.11 -0.76 115.58 117.14 3i04 h ASN 41 Ca -0.03 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3i04 h ASN 41 Cb 0.99 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3i04 h ASN 41 CO 0.06 0.62 0.11 -0.61 -1.65 0.00 0.00 177.43 175.96 3i04 h GLN 42 N 0.35 0.32 -0.83 0.81 5.75 -1.42 -1.24 115.11 118.85 3i04 h GLN 42 Ca 0.06 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3i04 h GLN 42 Cb 0.59 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 3i04 h GLN 42 CO 0.04 0.32 0.55 0.00 -2.65 0.00 0.00 178.83 177.10 3i04 h ALA 43 N 0.98 1.43 -0.61 3.38 0.00 -0.95 0.09 119.26 123.58 3i04 h ALA 43 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i04 h ALA 43 Cb 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3i04 h ALA 43 CO -0.01 0.51 0.40 0.82 0.00 0.00 0.00 179.25 180.97 3i04 h ILE 44 N 1.10 1.14 -0.53 0.00 2.04 -1.06 0.51 117.51 120.71 3i04 h ILE 44 Ca 0.31 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3i04 h ILE 44 Cb -0.08 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3i04 h ILE 44 CO -0.08 0.15 0.11 0.03 0.00 0.00 0.00 178.15 178.36 3i04 h ARG 45 N 0.81 0.82 0.01 2.37 3.08 -0.70 0.54 114.38 121.32 3i04 h ARG 45 Ca 0.23 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3i04 h ARG 45 Cb -0.08 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 29.86 3i04 h ARG 45 CO -0.06 0.75 -0.25 1.15 -1.07 0.00 0.00 179.97 180.49 3i04 h THR 46 N 0.79 1.59 0.00 2.04 2.02 -0.60 -3.39 112.91 115.36 3i04 h THR 46 Ca 0.17 -2.07 -0.04 0.00 0.77 0.00 0.00 66.41 65.24 3i04 h THR 46 Cb 0.31 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 3i04 h THR 46 CO 0.00 0.56 -1.80 -1.22 0.37 0.00 0.00 175.52 173.43 3i04 n TYR 47 N -4.50 0.00 0.00 3.16 4.01 0.17 -5.09 117.16 114.92 3i04 n TYR 47 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3i04 n TYR 47 Cb 0.52 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3i04 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i04 n GLY 48 N 1.63 1.17 0.30 2.72 0.00 0.19 -4.49 105.19 106.72 3i04 n GLY 48 Ca -0.06 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.51 3i04 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i04 h PRO 49 N 0.00 0.00 -0.14 1.61 0.13 -1.91 -2.35 132.00 129.34 3i04 h PRO 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i04 h PRO 49 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i04 h PRO 49 CO 0.00 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 177.55 3i04 n ASP 50 N -3.26 1.53 -4.73 1.44 8.00 -1.26 -0.07 116.55 118.19 3i04 n ASP 50 Ca -0.02 -1.66 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 3i04 n ASP 50 Cb 0.17 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3i04 n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i04 s HIS 51 N -1.83 3.05 0.43 1.24 2.46 -0.88 -4.79 115.29 114.98 3i04 s HIS 51 Ca 0.33 0.82 -0.25 0.00 0.47 0.00 0.00 55.06 56.42 3i04 s HIS 51 Cb 0.18 -3.86 -0.08 0.00 -0.13 0.00 0.00 32.58 28.68 3i04 s HIS 51 CO 0.27 -3.03 1.34 -2.14 -2.47 0.00 0.00 174.74 168.71 3i04 s PRO 52 N 0.49 3.81 0.03 2.88 0.02 -1.26 -0.10 135.00 140.88 3i04 s PRO 52 Ca 0.65 2.23 0.05 0.00 0.02 0.00 0.00 61.00 63.95 3i04 s PRO 52 Cb -0.42 -2.68 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 3i04 s PRO 52 CO 0.36 -0.65 -0.15 0.54 -0.33 0.00 0.00 177.00 176.78 3i04 s VAL 53 N -1.26 1.18 -5.00 3.83 0.11 -0.68 -4.69 120.40 113.89 3i04 s VAL 53 Ca 0.59 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 3i04 s VAL 53 Cb -0.40 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 3i04 s VAL 53 CO 0.51 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 3i04 n GLY 54 N 2.02 -1.93 3.58 6.54 0.00 -1.26 -4.39 105.19 109.76 3i04 n GLY 54 Ca -0.17 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 3i04 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i04 s TYR 55 N -2.62 2.64 0.45 1.61 4.12 -1.26 -4.75 117.35 117.54 3i04 s TYR 55 Ca 0.00 -0.22 -0.20 0.00 0.02 0.00 0.00 57.07 56.67 3i04 s TYR 55 Cb 0.00 -1.29 -0.10 0.00 -1.52 0.00 0.00 41.96 39.05 3i04 s TYR 55 CO 0.00 0.52 0.96 -1.25 0.02 0.00 0.00 175.55 175.79 3i04 s PRO 56 N -2.87 4.16 -1.17 -1.71 0.04 -1.26 -4.36 135.00 127.85 3i04 s PRO 56 Ca 0.25 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 3i04 s PRO 56 Cb -0.09 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3i04 s PRO 56 CO 0.15 -0.08 0.99 -0.25 0.04 0.00 0.00 177.00 177.85 3i04 n ASP 57 N -0.85 -3.29 -3.93 6.66 8.00 -1.26 -4.64 116.55 117.24 3i04 n ASP 57 Ca 0.07 -0.56 -0.10 0.00 0.71 0.00 0.00 54.79 54.92 3i04 n ASP 57 Cb 0.54 -4.80 -0.10 0.00 -0.02 0.00 0.00 41.12 36.74 3i04 n ASP 57 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3i04 s THR 58 N -3.32 0.12 -1.49 -3.53 -1.32 -1.26 -0.38 115.64 104.46 3i04 s THR 58 Ca 0.17 -0.98 0.15 0.00 -1.21 0.00 0.00 61.69 59.82 3i04 s THR 58 Cb -0.07 -0.68 0.03 0.00 -1.51 0.00 0.00 72.50 70.27 3i04 s THR 58 CO 0.68 -0.54 0.85 0.00 -2.21 0.00 0.00 174.62 173.40 3i04 n ALA 59 N 1.08 2.92 -1.24 11.08 0.00 -1.26 -4.63 120.51 128.47 3i04 n ALA 59 Ca -0.21 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.61 3i04 n ALA 59 Cb 0.57 -0.51 0.23 0.00 0.00 0.00 0.00 19.45 19.74 3i04 n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i04 n TYR 60 N 0.12 1.89 0.00 0.00 4.02 -1.26 -5.02 117.16 116.91 3i04 n TYR 60 Ca 0.07 -1.47 0.00 0.00 -0.01 0.00 0.00 57.90 56.49 3i04 n TYR 60 Cb 0.33 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 3i04 n TYR 60 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3i04 n TYR 61 N -0.82 0.00 -3.69 -0.72 4.02 -1.26 -2.52 117.16 112.17 3i04 n TYR 61 Ca 0.40 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.91 3i04 n TYR 61 Cb 1.26 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.48 3i04 n TYR 61 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i04 s LEU 62 N 0.00 5.25 0.39 7.72 1.43 -1.26 -4.42 118.68 127.79 3i04 s LEU 62 Ca 0.00 -1.83 0.07 0.00 -1.03 0.00 0.00 54.13 51.34 3i04 s LEU 62 Cb 0.00 -1.90 0.80 0.00 0.03 0.00 0.00 46.19 45.11 3i04 s LEU 62 CO 0.00 -0.56 2.00 -0.65 0.23 0.00 0.00 176.35 177.37 3i04 h PRO 63 N 8.23 0.50 0.00 1.29 0.11 -1.82 -0.69 132.00 139.63 3i04 h PRO 63 Ca -0.18 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.82 3i04 h PRO 63 Cb 1.06 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3i04 h PRO 63 CO 0.74 0.40 -0.28 -0.39 -0.21 0.00 0.00 178.00 178.26 3i04 h VAL 64 N 0.51 0.87 0.02 3.15 -1.51 -1.87 0.10 116.25 117.52 3i04 h VAL 64 Ca 0.13 -1.11 -0.07 0.00 -1.23 0.00 0.00 66.70 64.41 3i04 h VAL 64 Cb 0.07 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3i04 h VAL 64 CO -0.02 0.28 -0.37 0.40 -1.23 0.00 0.00 177.57 176.63 3i04 h ILE 65 N 0.00 1.58 -0.97 7.19 2.04 -1.68 -2.15 117.51 123.51 3i04 h ILE 65 Ca -0.00 -2.34 0.17 0.00 1.00 0.00 0.00 64.86 63.68 3i04 h ILE 65 Cb 0.64 3.13 -0.09 0.00 -0.74 0.00 0.00 36.82 39.77 3i04 h ILE 65 CO 0.04 0.57 0.61 -0.09 0.00 0.00 0.00 178.15 179.28 3i04 h ARG 66 N -0.91 0.73 0.37 2.37 9.65 -1.07 -0.39 114.38 125.13 3i04 h ARG 66 Ca -0.09 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 3i04 h ARG 66 Cb 1.15 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3i04 h ARG 66 CO -0.02 0.48 -0.18 0.00 2.80 0.00 0.00 179.97 183.06 3i04 h PHE 68 N -0.82 0.00 0.00 0.00 0.04 -1.32 0.59 116.94 115.44 3i04 h PHE 68 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3i04 h PHE 68 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3i04 h PHE 68 CO 0.04 0.19 -0.06 -1.13 -0.60 0.00 0.00 178.31 176.75 3i04 n SER 69 N -3.22 0.29 0.00 2.17 3.41 -0.60 -4.35 113.62 111.32 3i04 n SER 69 Ca 0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3i04 n SER 69 Cb 0.50 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3i04 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i04 n GLY 70 N 0.20 1.90 3.80 5.00 0.00 -0.26 -4.58 105.19 111.25 3i04 n GLY 70 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3i04 n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i04 s GLU 71 N -0.64 3.72 -1.11 1.61 1.03 -1.26 -4.77 118.70 117.29 3i04 s GLU 71 Ca 0.00 1.28 -0.11 0.00 0.03 0.00 0.00 54.97 56.17 3i04 s GLU 71 Cb 0.00 -2.09 0.24 0.00 -0.80 0.00 0.00 34.13 31.49 3i04 s GLU 71 CO 0.00 -0.49 1.16 -1.21 -1.33 0.00 0.00 175.26 173.39 3i04 s GLU 72 N -3.49 4.11 -0.21 -4.83 2.02 -1.26 -3.84 118.70 111.20 3i04 s GLU 72 Ca 0.65 -2.97 -0.29 0.00 0.02 0.00 0.00 54.97 52.39 3i04 s GLU 72 Cb -0.15 -4.67 -0.02 0.00 0.10 0.00 0.00 34.13 29.39 3i04 s GLU 72 CO 0.24 -1.38 1.42 0.08 0.02 0.00 0.00 175.26 175.65 3i04 s VAL 73 N -0.37 3.98 -0.00 2.63 1.01 -1.26 -4.82 120.40 121.57 3i04 s VAL 73 Ca 0.32 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.45 3i04 s VAL 73 Cb -0.08 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3i04 s VAL 73 CO -0.06 -0.29 0.01 0.29 0.00 0.00 0.00 175.10 175.05 3i04 n LYS 74 N 7.21 1.09 -3.94 2.72 5.02 -1.26 -4.47 118.16 124.53 3i04 n LYS 74 Ca 0.16 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 3i04 n LYS 74 Cb 0.45 -1.01 -0.09 0.00 -0.02 0.00 0.00 35.03 34.37 3i04 n LYS 74 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3i04 s LYS 75 N -2.02 0.67 0.34 1.97 -2.85 -1.26 -1.68 119.74 114.91 3i04 s LYS 75 Ca -0.00 -0.91 0.08 0.00 -1.00 0.00 0.00 55.97 54.14 3i04 s LYS 75 Cb 0.00 0.26 0.80 0.00 -2.06 0.00 0.00 37.83 36.83 3i04 s LYS 75 CO 0.01 -0.18 1.85 -0.07 0.10 0.00 0.00 175.35 177.07 3i04 h LEU 76 N 3.28 0.69 -0.83 2.77 3.38 -0.49 -1.69 115.31 122.42 3i04 h LEU 76 Ca -0.33 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i04 h LEU 76 Cb 1.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3i04 h LEU 76 CO 0.55 0.33 0.00 0.61 0.09 0.00 0.00 178.44 180.02 3i04 n GLY 77 N -1.41 -0.86 0.15 0.83 0.00 0.90 -1.75 105.19 103.05 3i04 n GLY 77 Ca 0.19 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3i04 n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i04 h ASP 78 N 0.00 0.00 0.36 1.61 3.45 -1.56 -3.38 116.42 116.89 3i04 h ASP 78 Ca 0.00 -0.03 -0.32 0.00 0.43 0.00 0.00 57.03 57.11 3i04 h ASP 78 Cb 0.09 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.87 3i04 h ASP 78 CO 0.00 0.01 -1.51 -0.07 -1.57 0.00 0.00 179.24 176.10 3i04 h LEU 79 N 0.00 0.62 -0.33 1.55 3.38 -1.50 -3.37 115.31 115.66 3i04 h LEU 79 Ca 0.00 -0.75 0.07 0.00 0.09 0.00 0.00 57.88 57.28 3i04 h LEU 79 Cb 0.89 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 3i04 h LEU 79 CO 0.00 1.61 -0.11 -0.65 0.09 0.00 0.00 178.44 179.38 3i04 h PRO 80 N 0.11 -0.04 -0.78 1.13 0.11 -1.75 -0.67 132.00 130.12 3i04 h PRO 80 Ca -0.25 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.95 3i04 h PRO 80 Cb 2.09 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 33.15 3i04 h PRO 80 CO 0.22 -0.02 0.51 -1.35 -0.21 0.00 0.00 178.00 177.14 3i04 h PRO 81 N -0.04 0.72 0.35 1.05 0.11 -1.86 -1.24 132.00 131.10 3i04 h PRO 81 Ca 0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 3i04 h PRO 81 Cb 0.29 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3i04 h PRO 81 CO -0.36 0.48 -0.17 0.82 -0.21 0.00 0.00 178.00 178.56 3i04 h ILE 82 N 0.74 0.63 -0.97 4.15 2.04 -1.46 -2.76 117.51 119.89 3i04 h ILE 82 Ca 0.35 -0.49 0.13 0.00 1.00 0.00 0.00 64.86 65.85 3i04 h ILE 82 Cb 0.38 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.25 3i04 h ILE 82 CO -0.13 0.09 0.62 0.25 0.00 0.00 0.00 178.15 178.98 3i04 h LEU 83 N -0.76 0.85 -1.03 1.44 5.85 -1.10 -2.53 115.31 118.03 3i04 h LEU 83 Ca -0.05 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3i04 h LEU 83 Cb 0.51 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3i04 h LEU 83 CO 0.08 0.44 0.63 0.78 -0.34 0.00 0.00 178.44 180.03 3i04 h ASN 84 N 0.91 1.12 -0.40 1.25 2.35 -1.10 0.35 115.58 120.05 3i04 h ASN 84 Ca 0.49 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 56.15 3i04 h ASN 84 Cb 0.56 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3i04 h ASN 84 CO -0.25 0.82 0.09 0.03 -1.65 0.00 0.00 177.43 176.47 3i04 h ARG 85 N 1.31 0.73 -0.12 0.81 3.08 -1.16 -0.52 114.38 118.50 3i04 h ARG 85 Ca 0.35 -0.15 -0.21 0.00 0.07 0.00 0.00 59.98 60.05 3i04 h ARG 85 Cb -0.13 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 29.82 3i04 h ARG 85 CO -0.07 0.68 -0.74 0.87 -1.07 0.00 0.00 179.97 179.64 3i04 h LYS 86 N 0.70 0.72 -0.60 0.04 1.79 -1.18 -2.50 116.57 115.55 3i04 h LYS 86 Ca 0.15 -0.61 0.06 0.00 -2.18 0.00 0.00 60.65 58.08 3i04 h LYS 86 Cb 0.30 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 3i04 h LYS 86 CO 0.00 1.22 0.30 -0.09 -1.08 0.00 0.00 179.45 179.80 3i04 h ARG 87 N 0.42 0.54 0.00 3.15 2.43 -0.07 -1.88 114.38 118.97 3i04 h ARG 87 Ca -0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3i04 h ARG 87 Cb 1.38 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3i04 h ARG 87 CO 0.15 0.36 -0.07 0.00 -1.51 0.00 0.00 179.97 178.90 3i04 h ALA 88 N 1.34 1.04 -0.01 2.80 0.00 -1.07 -2.95 119.26 120.41 3i04 h ALA 88 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i04 h ALA 88 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i04 h ALA 88 CO -0.20 0.09 -0.08 0.00 0.00 0.00 0.00 179.25 179.06 3i04 n GLN 89 N -3.23 1.36 -2.62 0.00 10.64 -0.72 -4.69 117.38 118.13 3i04 n GLN 89 Ca -0.00 -0.76 -0.43 0.00 -1.83 0.00 0.00 57.00 53.98 3i04 n GLN 89 Cb 0.30 -1.48 -0.02 0.00 -0.86 0.00 0.00 30.24 28.18 3i04 n GLN 89 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3i04 s VAL 90 N -2.16 4.20 -0.02 -0.39 1.01 -1.11 -4.52 120.40 117.40 3i04 s VAL 90 Ca 0.34 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.51 3i04 s VAL 90 Cb 0.20 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 3i04 s VAL 90 CO 0.39 -1.05 -0.19 -0.55 0.00 0.00 0.00 175.10 173.70 3i04 s SER 91 N 2.53 3.69 0.00 3.32 0.15 -1.26 -5.01 113.70 117.12 3i04 s SER 91 Ca 0.46 -0.33 0.19 0.00 0.70 0.00 0.00 55.95 56.98 3i04 s SER 91 Cb -0.07 -0.65 0.86 0.00 -1.71 0.00 0.00 66.02 64.45 3i04 s SER 91 CO 0.31 0.32 1.62 -0.81 1.20 0.00 0.00 173.24 175.87 3i04 n PRO 92 N 2.17 0.06 -2.62 5.44 -0.04 -1.26 -4.69 135.00 134.06 3i04 n PRO 92 Ca -0.17 0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 3i04 n PRO 92 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 3i04 n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i04 s VAL 93 N -2.92 4.26 -0.37 0.52 1.01 -1.26 -4.97 120.40 116.66 3i04 s VAL 93 Ca 0.11 1.27 -0.20 0.00 0.00 0.00 0.00 61.98 63.15 3i04 s VAL 93 Cb 0.13 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.94 3i04 s VAL 93 CO 0.34 -0.94 0.63 -0.76 0.00 0.00 0.00 175.10 174.37 3i04 s LEU 94 N 4.32 4.32 0.35 3.92 1.43 -1.26 -4.78 118.68 126.97 3i04 s LEU 94 Ca 0.47 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3i04 s LEU 94 Cb -0.08 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.41 3i04 s LEU 94 CO 0.29 -0.63 0.64 0.54 0.23 0.00 0.00 176.35 177.43 3i04 s ASN 95 N 1.84 0.28 0.13 2.29 2.20 -1.26 -5.04 114.94 115.38 3i04 s ASN 95 Ca 0.23 -1.18 -0.14 0.00 -0.94 0.00 0.00 52.86 50.83 3i04 s ASN 95 Cb -0.14 0.75 -0.00 0.00 -2.00 0.00 0.00 41.25 39.85 3i04 s ASN 95 CO 0.16 -1.46 1.60 0.15 -2.94 0.00 0.00 177.10 174.60 3i04 h PHE 96 N 2.07 0.80 -0.28 1.54 -0.00 -1.99 -1.67 116.94 117.40 3i04 h PHE 96 Ca -0.29 -0.13 0.06 0.00 -0.00 0.00 0.00 57.97 57.61 3i04 h PHE 96 Cb 1.25 -0.21 -0.05 0.00 -0.00 0.00 0.00 35.95 36.93 3i04 h PHE 96 CO 1.21 0.78 -0.07 0.93 -0.00 0.00 0.00 178.31 181.16 3i04 h GLU 97 N 0.59 -0.01 -0.08 1.11 5.08 -1.97 -2.23 114.58 117.07 3i04 h GLU 97 Ca 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3i04 h GLU 97 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3i04 h GLU 97 CO 0.02 -0.00 -0.40 -0.91 -1.00 0.00 0.00 179.01 176.71 3i04 h ASN 98 N -0.01 0.18 -0.49 1.42 2.35 -1.84 -2.38 115.58 114.82 3i04 h ASN 98 Ca 0.14 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3i04 h ASN 98 Cb 0.21 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3i04 h ASN 98 CO -0.29 0.57 0.26 0.00 -1.65 0.00 0.00 177.43 176.31 3i04 h ALA 99 N 1.45 0.62 -0.39 -0.83 0.00 -0.88 0.29 119.26 119.52 3i04 h ALA 99 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3i04 h ALA 99 Cb 0.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3i04 h ALA 99 CO 0.06 0.15 -0.18 0.00 0.00 0.00 0.00 179.25 179.28 3i04 h ARG 100 N 0.64 0.73 -0.41 0.00 3.08 -1.20 -0.59 114.38 116.64 3i04 h ARG 100 Ca 0.17 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3i04 h ARG 100 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3i04 h ARG 100 CO -0.03 0.86 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.62 3i04 h LEU 101 N 0.65 0.66 -0.99 3.04 3.38 -1.21 -1.35 115.31 119.48 3i04 h LEU 101 Ca 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3i04 h LEU 101 Cb 0.66 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3i04 h LEU 101 CO 0.05 0.76 0.27 0.00 0.09 0.00 0.00 178.44 179.61 3i04 h ALA 102 N 1.31 1.20 -0.33 1.53 0.00 -0.59 -1.32 119.26 121.06 3i04 h ALA 102 Ca 0.12 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i04 h ALA 102 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i04 h ALA 102 CO 0.02 0.58 0.21 0.78 0.00 0.00 0.00 179.25 180.85 3i04 h GLY 103 N 1.05 0.47 1.35 0.00 0.00 -0.70 0.29 103.07 105.54 3i04 h GLY 103 Ca 0.23 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 3i04 h GLY 103 CO -0.02 0.16 -0.25 -2.09 0.00 0.00 0.00 176.54 174.35 3i04 h GLU 104 N 0.44 0.74 -0.63 4.80 4.81 -1.06 -0.97 114.58 122.71 3i04 h GLU 104 Ca 0.12 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 3i04 h GLU 104 Cb -0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3i04 h GLU 104 CO -0.03 0.91 0.28 0.00 -0.73 0.00 0.00 179.01 179.44 3i04 h ALA 105 N 1.08 0.82 -0.66 2.92 0.00 -0.90 -1.61 119.26 120.90 3i04 h ALA 105 Ca 0.09 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 105 Cb 0.75 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3i04 h ALA 105 CO 0.06 0.40 0.33 1.15 0.00 0.00 0.00 179.25 181.19 3i04 h THR 106 N 0.87 0.87 -0.33 0.00 2.02 -0.07 -0.41 112.91 115.86 3i04 h THR 106 Ca 0.21 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 3i04 h THR 106 Cb 0.16 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3i04 h THR 106 CO -0.02 0.11 -0.22 -0.50 0.37 0.00 0.00 175.52 175.25 3i04 h TRP 107 N 0.58 0.71 -0.54 3.16 4.06 -0.91 0.26 115.95 123.26 3i04 h TRP 107 Ca 0.32 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 61.08 3i04 h TRP 107 Cb 0.31 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 3i04 h TRP 107 CO -0.11 0.81 0.20 1.88 -3.56 0.00 0.00 178.44 177.65 3i04 h TYR 108 N 0.56 0.84 -0.39 0.49 0.99 -0.76 -1.10 116.97 117.60 3i04 h TYR 108 Ca 0.08 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 3i04 h TYR 108 Cb 0.68 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 38.15 3i04 h TYR 108 CO 0.03 0.70 0.11 0.00 -0.00 0.00 0.00 178.16 179.00 3i04 h ALA 109 N 1.05 0.52 -0.42 3.88 0.00 -0.79 -1.09 119.26 122.41 3i04 h ALA 109 Ca 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3i04 h ALA 109 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3i04 h ALA 109 CO -0.01 0.18 0.10 0.00 0.00 0.00 0.00 179.25 179.52 3i04 h ALA 110 N 0.96 0.55 -0.60 0.00 0.00 -0.87 0.29 119.26 119.58 3i04 h ALA 110 Ca 0.13 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i04 h ALA 110 Cb 0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3i04 h ALA 110 CO -0.00 0.22 0.29 1.49 0.00 0.00 0.00 179.25 181.25 3i04 h GLU 111 N 0.53 0.51 -0.13 0.00 4.57 -1.18 0.14 114.58 119.02 3i04 h GLU 111 Ca 0.13 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3i04 h GLU 111 Cb 0.31 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3i04 h GLU 111 CO 0.00 0.34 0.01 0.82 -1.18 0.00 0.00 179.01 179.00 3i04 h ILE 112 N 0.53 1.23 -0.58 2.32 2.04 -0.71 -0.64 117.51 121.71 3i04 h ILE 112 Ca 0.28 -0.75 0.11 0.00 1.00 0.00 0.00 64.86 65.50 3i04 h ILE 112 Cb 0.25 1.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 3i04 h ILE 112 CO -0.22 0.22 0.07 0.40 0.00 0.00 0.00 178.15 178.62 3i04 h ILE 113 N -0.02 0.60 -0.43 -0.67 2.04 -0.19 -0.87 117.51 117.98 3i04 h ILE 113 Ca 0.04 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 3i04 h ILE 113 Cb 0.33 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3i04 h ILE 113 CO 0.00 0.04 -0.22 -0.33 0.00 0.00 0.00 178.15 177.64 3i04 h GLU 114 N 0.20 0.88 -0.56 2.37 4.39 -0.58 0.09 114.58 121.36 3i04 h GLU 114 Ca 0.30 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3i04 h GLU 114 Cb 0.46 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3i04 h GLU 114 CO -0.43 1.01 0.08 0.00 -1.16 0.00 0.00 179.01 178.51 3i04 h ALA 115 N 0.98 1.09 -0.31 3.43 0.00 -0.46 -0.65 119.26 123.34 3i04 h ALA 115 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i04 h ALA 115 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i04 h ALA 115 CO 0.06 0.59 0.15 -0.07 0.00 0.00 0.00 179.25 179.98 3i04 h LEU 116 N 0.85 0.41 -0.80 0.00 3.38 -0.76 -2.87 115.31 115.52 3i04 h LEU 116 Ca 0.17 -0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.19 3i04 h LEU 116 Cb 0.39 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 3i04 h LEU 116 CO 0.01 0.43 0.26 0.03 0.09 0.00 0.00 178.44 179.25 3i04 h ARG 117 N 0.37 0.32 0.00 1.13 3.08 -0.11 0.25 114.38 119.41 3i04 h ARG 117 Ca 0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i04 h ARG 117 Cb 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3i04 h ARG 117 CO -0.01 0.21 0.00 0.66 -1.07 0.00 0.00 179.97 179.76 3i04 n TYR 118 N -5.11 0.40 0.20 3.04 4.01 -0.33 -1.83 117.16 117.53 3i04 n TYR 118 Ca 0.17 0.17 0.18 0.00 -0.16 0.00 0.00 57.90 58.26 3i04 n TYR 118 Cb 0.52 -0.77 0.81 0.00 -0.31 0.00 0.00 39.34 39.60 3i04 n TYR 118 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3i04 h LEU 119 N 0.00 0.00 -2.21 7.72 3.38 -0.77 0.00 115.31 123.43 3i04 h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i04 h LEU 119 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i04 h LEU 119 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3i04 n LYS 120 N -3.51 2.43 -2.27 1.13 4.76 -0.76 -4.94 118.16 114.99 3i04 n LYS 120 Ca 0.03 -2.17 -0.42 0.00 -2.87 0.00 0.00 58.31 52.88 3i04 n LYS 120 Cb 0.44 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3i04 n LYS 120 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3i04 s TYR 121 N -1.62 3.31 0.24 2.13 5.04 -0.02 -4.92 117.35 121.52 3i04 s TYR 121 Ca 0.35 1.18 0.09 0.00 -2.44 0.00 0.00 57.07 56.25 3i04 s TYR 121 Cb 0.22 -3.57 -0.05 0.00 0.35 0.00 0.00 41.96 38.91 3i04 s TYR 121 CO 0.31 -1.82 -0.16 0.15 -1.34 0.00 0.00 175.55 172.68 3i04 s LYS 122 N 0.50 1.48 0.22 4.97 1.02 -1.00 -5.05 119.74 121.88 3i04 s LYS 122 Ca 0.59 -1.67 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 3i04 s LYS 122 Cb -0.35 -1.38 0.29 0.00 -0.52 0.00 0.00 37.83 35.87 3i04 s LYS 122 CO 0.34 0.23 1.63 -1.35 -0.92 0.00 0.00 175.35 175.28 3i04 h PRO 123 N 2.43 0.03 -0.66 -1.68 0.11 -2.01 -2.81 132.00 127.41 3i04 h PRO 123 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3i04 h PRO 123 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i04 h PRO 123 CO 0.62 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3i04 n ASP 124 N -5.40 4.28 -3.44 -2.05 3.85 -1.26 -4.51 116.55 108.02 3i04 n ASP 124 Ca 0.09 -2.24 -0.27 0.00 -0.71 0.00 0.00 54.79 51.66 3i04 n ASP 124 Cb 0.36 -0.52 -0.10 0.00 -1.35 0.00 0.00 41.12 39.52 3i04 n ASP 124 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3i04 n GLU 125 N 1.27 0.44 -1.46 0.11 1.02 -1.06 -5.13 120.64 115.83 3i04 n GLU 125 Ca 0.24 -3.35 -0.31 0.00 -0.02 0.00 0.00 57.16 53.73 3i04 n GLU 125 Cb 0.75 -1.72 0.08 0.00 -0.02 0.00 0.00 31.44 30.52 3i04 n GLU 125 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3i04 s PRO 126 N -0.23 2.38 0.21 3.49 0.04 -1.25 -2.37 135.00 137.27 3i04 s PRO 126 Ca 0.32 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 3i04 s PRO 126 Cb 0.04 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.81 3i04 s PRO 126 CO -0.19 -1.48 1.56 -0.07 0.04 0.00 0.00 177.00 176.86 3i04 h LEU 127 N -1.00 0.65 -8.62 -3.56 4.07 -1.91 -3.43 115.31 101.51 3i04 h LEU 127 Ca -0.45 -0.30 -0.55 0.00 0.08 0.00 0.00 57.88 56.65 3i04 h LEU 127 Cb 1.24 -0.18 -0.23 0.00 1.08 0.00 0.00 40.66 42.57 3i04 h LEU 127 CO 0.56 1.00 -0.83 -0.76 -1.08 0.00 0.00 178.44 177.33 3i04 s LEU 128 N -8.53 2.26 0.72 1.67 1.43 -1.26 -5.16 118.68 109.81 3i04 s LEU 128 Ca -0.08 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 3i04 s LEU 128 Cb 0.12 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.49 3i04 s LEU 128 CO 0.83 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 176.42 3i04 s PRO 129 N -1.71 2.61 0.43 1.29 0.04 -1.26 -4.88 135.00 131.51 3i04 s PRO 129 Ca 0.06 0.28 -0.25 0.00 0.04 0.00 0.00 61.00 61.13 3i04 s PRO 129 Cb -0.10 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3i04 s PRO 129 CO 0.03 -1.15 1.20 -2.30 0.04 0.00 0.00 177.00 174.83 3i04 n PRO 130 N -3.03 1.74 -0.06 0.56 -0.02 -1.26 -1.89 135.00 131.04 3i04 n PRO 130 Ca 0.07 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3i04 n PRO 130 Cb 0.58 -2.29 0.38 0.00 -0.02 0.00 0.00 33.50 32.15 3i04 n PRO 130 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i04 n PRO 131 N 0.02 1.85 -1.77 0.52 -0.04 -1.26 -5.11 135.00 129.21 3i04 n PRO 131 Ca 0.08 -1.26 -0.39 0.00 -0.04 0.00 0.00 63.50 61.89 3i04 n PRO 131 Cb 0.40 -1.44 0.03 0.00 -0.04 0.00 0.00 33.50 32.45 3i04 n PRO 131 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i04 s TRP 132 N -1.84 2.33 -0.17 0.54 0.51 -0.79 -4.36 118.94 115.16 3i04 s TRP 132 Ca 0.34 1.32 0.06 0.00 -2.12 0.00 0.00 56.10 55.70 3i04 s TRP 132 Cb 0.19 -3.86 -0.15 0.00 -0.81 0.00 0.00 33.47 28.84 3i04 s TRP 132 CO 0.29 -2.97 -0.09 0.25 -0.51 0.00 0.00 176.95 173.93 3i04 n THR 133 N -0.72 1.06 -3.87 2.01 -2.24 0.32 -4.77 114.28 106.07 3i04 n THR 133 Ca 0.08 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3i04 n THR 133 Cb 0.44 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 3i04 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i04 n GLY 134 N 2.41 3.02 3.69 3.38 0.00 -1.01 -4.49 105.19 112.19 3i04 n GLY 134 Ca -0.30 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 3i04 n GLY 134 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i04 n PHE 135 N 14.00 2.49 -3.57 1.61 7.35 -1.26 -4.89 117.46 133.19 3i04 n PHE 135 Ca 0.00 0.13 -0.39 0.00 -0.76 0.00 0.00 57.45 56.43 3i04 n PHE 135 Cb 0.00 -2.62 -0.11 0.00 0.35 0.00 0.00 39.48 37.11 3i04 n PHE 135 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3i04 s ILE 136 N 1.34 5.17 0.83 -2.13 1.01 -1.26 -5.00 121.20 121.16 3i04 s ILE 136 Ca 0.78 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 3i04 s ILE 136 Cb -0.60 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 38.36 3i04 s ILE 136 CO 0.36 0.07 1.14 -0.83 0.00 0.00 0.00 174.94 175.69 3i04 s GLY 137 N 1.71 1.84 0.23 6.18 0.00 -1.26 -4.84 107.32 111.19 3i04 s GLY 137 Ca 0.06 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.27 3i04 s GLY 137 CO 0.10 0.95 1.69 -0.55 0.00 0.00 0.00 173.10 175.29 3i04 h ASP 138 N -1.27 -0.01 -0.35 1.64 3.45 -1.00 -2.04 116.42 116.85 3i04 h ASP 138 Ca -0.44 0.14 0.10 0.00 0.43 0.00 0.00 57.03 57.25 3i04 h ASP 138 Cb 1.26 0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 40.21 3i04 h ASP 138 CO 0.46 -0.02 0.39 -0.65 -1.57 0.00 0.00 179.24 177.85 3i04 h PRO 139 N 0.26 0.00 0.12 3.56 0.11 -1.87 -0.05 132.00 134.13 3i04 h PRO 139 Ca 0.38 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.17 3i04 h PRO 139 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 3i04 h PRO 139 CO -0.48 0.00 -1.65 0.28 -0.21 0.00 0.00 178.00 175.94 3i04 h VAL 140 N 0.00 1.01 -0.51 3.15 2.07 -1.72 0.22 116.25 120.46 3i04 h VAL 140 Ca 0.16 -2.67 0.01 0.00 0.82 0.00 0.00 66.70 65.02 3i04 h VAL 140 Cb 0.94 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 3i04 h VAL 140 CO -0.00 0.80 0.34 0.58 0.02 0.00 0.00 177.57 179.31 3i04 h VAL 141 N 0.07 1.13 -0.06 2.57 2.07 -1.01 -3.15 116.25 117.87 3i04 h VAL 141 Ca -0.29 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 66.80 3i04 h VAL 141 Cb 2.03 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3i04 h VAL 141 CO 0.15 0.13 -0.70 0.03 0.02 0.00 0.00 177.57 177.19 3i04 h ARG 142 N 0.69 0.58 -0.99 1.57 3.08 -1.13 -2.99 114.38 115.20 3i04 h ARG 142 Ca 0.19 -0.55 0.19 0.00 0.07 0.00 0.00 59.98 59.88 3i04 h ARG 142 Cb -0.08 0.14 -0.18 0.00 0.08 0.00 0.00 29.97 29.93 3i04 h ARG 142 CO -0.04 1.17 -0.29 -0.09 -1.07 0.00 0.00 179.97 179.65 3i04 h ARG 143 N 0.20 -0.00 -0.69 0.04 2.43 -0.58 -2.12 114.38 113.66 3i04 h ARG 143 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3i04 h ARG 143 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3i04 h ARG 143 CO 0.14 -0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.79 3i04 n PHE 144 N -5.58 1.14 0.15 2.20 3.72 -1.19 -4.41 117.46 113.49 3i04 n PHE 144 Ca 0.14 -0.51 -0.14 0.00 -0.05 0.00 0.00 57.45 56.89 3i04 n PHE 144 Cb 0.47 -0.10 -0.08 0.00 -0.94 0.00 0.00 39.48 38.84 3i04 n PHE 144 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3i04 h GLY 145 N 4.39 -0.33 1.38 1.37 0.00 -1.22 -3.01 103.07 105.65 3i04 h GLY 145 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3i04 h GLY 145 CO 0.09 -0.12 0.28 1.19 0.00 0.00 0.00 176.54 177.98 3i04 h ILE 146 N -0.35 0.00 0.00 2.60 6.09 -1.77 0.49 117.51 124.57 3i04 h ILE 146 Ca -0.03 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 3i04 h ILE 146 Cb 0.27 0.56 0.00 0.00 0.47 0.00 0.00 36.82 38.12 3i04 h ILE 146 CO 0.05 0.00 -0.86 0.29 -3.07 0.00 0.00 178.15 174.57 3i04 n LYS 147 N -2.61 0.34 0.09 2.19 5.02 -1.15 -4.23 118.16 117.81 3i04 n LYS 147 Ca -0.02 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 3i04 n LYS 147 Cb 0.32 -1.67 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 3i04 n LYS 147 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3i04 h MET 148 N 0.00 0.51 -0.96 1.97 2.86 0.08 -0.99 114.93 118.39 3i04 h MET 148 Ca 0.00 -0.74 0.13 0.00 -2.06 0.00 0.00 59.70 57.03 3i04 h MET 148 Cb 0.78 0.26 -0.09 0.00 0.06 0.00 0.00 31.60 32.61 3i04 h MET 148 CO 0.00 1.33 0.59 -0.39 1.06 0.00 0.00 176.91 179.50 3i04 h VAL 149 N 0.05 0.86 -0.61 -2.22 -1.51 -1.67 -0.72 116.25 110.42 3i04 h VAL 149 Ca -0.18 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3i04 h VAL 149 Cb 1.85 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3i04 h VAL 149 CO 0.21 0.16 0.00 -0.90 -1.23 0.00 0.00 177.57 175.82 3i04 n ASP 150 N -4.68 4.11 -2.78 4.19 3.85 -1.26 -4.78 116.55 115.19 3i04 n ASP 150 Ca 0.19 -2.23 -0.22 0.00 -0.71 0.00 0.00 54.79 51.82 3i04 n ASP 150 Cb 0.39 -0.49 0.02 0.00 -1.35 0.00 0.00 41.12 39.69 3i04 n ASP 150 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3i04 n TRP 151 N 1.15 -1.60 -0.15 2.11 7.02 -0.28 -4.90 117.44 120.78 3i04 n TRP 151 Ca 0.23 0.32 -0.09 0.00 -1.02 0.00 0.00 57.50 56.94 3i04 n TRP 151 Cb 0.71 -4.28 0.05 0.00 -2.42 0.00 0.00 31.31 25.37 3i04 n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3i04 h THR 152 N -0.85 1.27 -3.50 -0.99 1.35 -1.49 -3.16 112.91 105.54 3i04 h THR 152 Ca -0.52 -1.26 -0.60 0.00 -0.55 0.00 0.00 66.41 63.48 3i04 h THR 152 Cb 1.37 1.01 -0.11 0.00 -1.73 0.00 0.00 68.15 68.69 3i04 h THR 152 CO 0.58 0.44 0.59 -0.63 -0.25 0.00 0.00 175.52 176.24 3i04 s ILE 153 N -4.80 4.43 -0.80 6.82 1.01 -0.49 -4.38 121.20 122.99 3i04 s ILE 153 Ca -0.11 0.59 0.27 0.00 0.00 0.00 0.00 60.65 61.40 3i04 s ILE 153 Cb 0.13 -4.48 0.24 0.00 0.01 0.00 0.00 42.46 38.36 3i04 s ILE 153 CO 0.85 -0.94 1.75 -0.81 0.00 0.00 0.00 174.94 175.79 3i04 n PRO 154 N 7.30 0.19 0.00 2.79 -0.04 -1.20 -4.61 135.00 139.43 3i04 n PRO 154 Ca 0.05 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3i04 n PRO 154 Cb 0.48 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3i04 n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i04 n GLY 155 N 1.37 -0.09 2.94 0.55 0.00 -1.26 -4.70 105.19 104.00 3i04 n GLY 155 Ca 0.06 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 3i04 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 156 N -2.00 0.86 -0.20 1.61 8.01 0.38 -2.01 118.70 125.35 3i04 s GLU 156 Ca 0.00 -0.19 -0.04 0.00 0.01 0.00 0.00 54.97 54.75 3i04 s GLU 156 Cb 0.00 -0.83 -0.02 0.00 -4.31 0.00 0.00 34.13 28.98 3i04 s GLU 156 CO 0.00 0.01 -0.03 0.00 0.01 0.00 0.00 175.26 175.25 3i04 s ALA 157 N 0.54 2.92 -0.36 5.21 0.00 0.56 -2.27 121.76 128.35 3i04 s ALA 157 Ca -0.08 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 3i04 s ALA 157 Cb -0.11 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.35 3i04 s ALA 157 CO 0.00 -0.19 0.17 0.42 0.00 0.00 0.00 175.76 176.17 3i04 s ILE 158 N 1.08 4.31 -0.28 0.00 1.01 -0.63 -0.69 121.20 126.00 3i04 s ILE 158 Ca 0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 3i04 s ILE 158 Cb -0.15 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3i04 s ILE 158 CO 0.01 -0.22 0.13 -0.63 0.00 0.00 0.00 174.94 174.23 3i04 s ILE 159 N 1.50 4.70 -0.14 2.92 1.01 0.99 -0.10 121.20 132.08 3i04 s ILE 159 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3i04 s ILE 159 Cb -0.19 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.03 3i04 s ILE 159 CO 0.05 0.22 -0.11 -0.22 0.00 0.00 0.00 174.94 174.88 3i04 s LEU 160 N 1.66 1.55 0.00 2.97 2.96 0.13 -0.52 118.68 127.42 3i04 s LEU 160 Ca 0.06 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 3i04 s LEU 160 Cb -0.16 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.48 3i04 s LEU 160 CO 0.07 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.61 3i04 n GLY 161 N 4.83 0.21 2.81 7.98 0.00 -0.75 -0.59 105.19 119.68 3i04 n GLY 161 Ca -0.15 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.72 3i04 n GLY 161 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i04 s ARG 162 N 0.00 0.43 0.67 1.61 3.52 -0.33 -1.00 118.95 123.84 3i04 s ARG 162 Ca 0.00 0.07 -0.11 0.00 -0.13 0.00 0.00 55.73 55.56 3i04 s ARG 162 Cb 0.00 -0.66 -0.01 0.00 -1.56 0.00 0.00 34.95 32.73 3i04 s ARG 162 CO 0.00 -0.18 1.05 0.00 -0.81 0.00 0.00 175.30 175.36 3i04 s ALA 163 N 1.30 2.79 0.55 6.12 0.00 -1.26 -2.89 121.76 128.37 3i04 s ALA 163 Ca -0.06 0.07 0.27 0.00 0.00 0.00 0.00 51.96 52.24 3i04 s ALA 163 Cb -0.13 -3.16 1.45 0.00 0.00 0.00 0.00 23.12 21.29 3i04 s ALA 163 CO -0.02 -1.05 1.99 1.57 0.00 0.00 0.00 175.76 178.25 3i04 h LYS 164 N -0.51 0.00 -2.53 0.00 2.10 -1.99 -3.42 116.57 110.22 3i04 h LYS 164 Ca -0.44 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.26 3i04 h LYS 164 Cb 1.21 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.39 3i04 h LYS 164 CO 0.58 0.00 0.37 0.16 -2.00 0.00 0.00 179.45 178.56 3i04 s ASP 165 N -5.94 -0.46 0.30 7.07 1.47 -1.26 -5.06 116.67 112.78 3i04 s ASP 165 Ca -0.05 0.05 -0.00 0.00 1.18 0.00 0.00 52.55 53.73 3i04 s ASP 165 Cb 0.18 0.48 0.47 0.00 -0.34 0.00 0.00 42.92 43.71 3i04 s ASP 165 CO 0.67 -0.75 1.89 0.77 0.68 0.00 0.00 175.17 178.43 3i04 h SER 166 N 2.06 0.76 -0.34 2.11 4.64 -1.89 -2.72 113.55 118.17 3i04 h SER 166 Ca -0.27 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 60.80 3i04 h SER 166 Cb 1.26 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3i04 h SER 166 CO 0.34 0.68 -0.39 0.11 -0.87 0.00 0.00 176.83 176.71 3i04 h LYS 167 N 0.82 0.87 -0.49 4.77 1.79 -1.97 0.22 116.57 122.58 3i04 h LYS 167 Ca 0.20 -0.48 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3i04 h LYS 167 Cb 0.16 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 3i04 h LYS 167 CO -0.02 1.12 0.32 0.00 -1.08 0.00 0.00 179.45 179.80 3i04 h ALA 168 N 0.74 1.64 -0.00 3.86 0.00 -1.96 -0.95 119.26 122.59 3i04 h ALA 168 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3i04 h ALA 168 Cb 0.98 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3i04 h ALA 168 CO 0.09 0.33 -0.65 1.25 0.00 0.00 0.00 179.25 180.27 3i04 h LEU 169 N 0.67 0.58 -1.38 0.00 7.12 -1.13 -2.82 115.31 118.35 3i04 h LEU 169 Ca 0.18 -0.75 0.03 0.00 0.13 0.00 0.00 57.88 57.47 3i04 h LEU 169 Cb -0.07 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 39.84 3i04 h LEU 169 CO -0.04 1.26 0.44 0.00 -0.13 0.00 0.00 178.44 179.97 3i04 h ALA 170 N 0.33 1.62 0.45 1.25 0.00 -0.36 -0.45 119.26 122.11 3i04 h ALA 170 Ca -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 170 Cb 1.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3i04 h ALA 170 CO 0.13 0.31 -0.33 -0.22 0.00 0.00 0.00 179.25 179.14 3i04 h LYS 171 N 0.81 -0.74 -0.89 0.00 3.64 -1.18 -0.73 116.57 117.47 3i04 h LYS 171 Ca 0.27 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3i04 h LYS 171 Cb 0.06 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 3i04 h LYS 171 CO -0.07 -0.49 0.58 0.82 -2.27 0.00 0.00 179.45 178.02 3i04 h ILE 172 N -0.77 1.18 -0.14 2.00 2.04 -1.21 -1.82 117.51 118.79 3i04 h ILE 172 Ca -0.05 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 3i04 h ILE 172 Cb 0.65 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3i04 h ILE 172 CO 0.01 0.21 -0.47 0.58 0.00 0.00 0.00 178.15 178.49 3i04 h VAL 173 N 1.15 1.33 -0.28 1.67 2.07 -1.02 -0.35 116.25 120.82 3i04 h VAL 173 Ca 0.34 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3i04 h VAL 173 Cb -0.05 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3i04 h VAL 173 CO -0.10 0.51 0.11 0.50 0.02 0.00 0.00 177.57 178.60 3i04 h LYS 174 N 0.28 0.41 -0.82 1.57 3.64 -0.66 0.54 116.57 121.54 3i04 h LYS 174 Ca 0.02 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3i04 h LYS 174 Cb 0.93 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 3i04 h LYS 174 CO 0.08 0.44 0.46 1.49 -2.27 0.00 0.00 179.45 179.65 3i04 h GLU 175 N 0.29 1.13 -0.30 1.90 4.81 -1.15 -1.72 114.58 119.55 3i04 h GLU 175 Ca 0.09 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 3i04 h GLU 175 Cb 0.19 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3i04 h GLU 175 CO -0.01 0.82 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.48 3i04 h LEU 176 N 1.13 0.99 -1.29 1.64 3.38 -0.81 -2.74 115.31 117.60 3i04 h LEU 176 Ca 0.29 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3i04 h LEU 176 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3i04 h LEU 176 CO -0.05 1.33 -0.24 0.24 0.09 0.00 0.00 178.44 179.81 3i04 h MET 177 N 0.68 0.00 -0.21 1.13 2.86 -0.77 -1.96 114.93 116.66 3i04 h MET 177 Ca 0.02 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 3i04 h MET 177 Cb 1.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3i04 h MET 177 CO 0.12 0.24 -0.43 0.78 1.06 0.00 0.00 176.91 178.68 3i04 h GLY 178 N 1.72 0.56 -0.32 8.32 0.00 -1.19 -3.10 103.07 109.06 3i04 h GLY 178 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3i04 h GLY 178 CO 0.03 0.51 0.00 1.03 0.00 0.00 0.00 176.54 178.11 3i04 n MET 179 N -4.01 1.22 -0.99 4.80 2.00 -1.02 -4.56 117.12 114.55 3i04 n MET 179 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 57.70 57.33 3i04 n MET 179 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.65 3i04 n MET 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i04 n GLY 180 N 0.67 0.64 3.78 3.03 0.00 -1.17 -4.45 105.19 107.69 3i04 n GLY 180 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3i04 n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i04 n PHE 181 N -2.64 3.04 -2.74 1.61 3.01 -0.77 -4.11 117.46 114.86 3i04 n PHE 181 Ca 0.00 0.44 -0.42 0.00 1.01 0.00 0.00 57.45 58.48 3i04 n PHE 181 Cb 0.01 -2.54 -0.03 0.00 -0.01 0.00 0.00 39.48 36.91 3i04 n PHE 181 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3i04 s MET 182 N -2.09 4.43 -0.02 -1.08 -2.45 -0.85 -4.68 119.30 112.57 3i04 s MET 182 Ca 0.53 1.32 0.02 0.00 -1.25 0.00 0.00 55.69 56.31 3i04 s MET 182 Cb -0.47 -3.53 -0.03 0.00 1.25 0.00 0.00 34.83 32.05 3i04 s MET 182 CO 0.64 -0.25 -0.06 -0.51 1.05 0.00 0.00 175.02 175.88 3i04 s LEU 183 N 1.81 3.22 -0.11 4.11 1.43 -0.61 -0.33 118.68 128.20 3i04 s LEU 183 Ca 0.47 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3i04 s LEU 183 Cb -0.18 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3i04 s LEU 183 CO 0.19 0.30 -0.13 -0.36 0.23 0.00 0.00 176.35 176.58 3i04 s PHE 184 N -0.96 1.86 -0.02 0.29 0.40 0.13 0.19 117.98 119.87 3i04 s PHE 184 Ca 0.16 -0.90 0.07 0.00 -0.60 0.00 0.00 56.93 55.66 3i04 s PHE 184 Cb -0.11 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 3i04 s PHE 184 CO 0.06 -0.50 -0.24 0.42 0.70 0.00 0.00 175.22 175.66 3i04 s ILE 185 N 1.17 1.91 -0.05 0.64 1.09 0.11 -0.01 121.20 126.07 3i04 s ILE 185 Ca -0.03 -1.03 -0.04 0.00 -1.10 0.00 0.00 60.65 58.44 3i04 s ILE 185 Cb -0.14 -1.59 0.02 0.00 -1.06 0.00 0.00 42.46 39.69 3i04 s ILE 185 CO -0.04 0.54 0.13 0.00 -0.10 0.00 0.00 174.94 175.47 3i04 n ASP 187 N 3.31 0.00 0.25 0.00 8.00 -0.27 -1.80 116.55 126.03 3i04 n ASP 187 Ca -0.16 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.50 3i04 n ASP 187 Cb 0.57 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.31 3i04 n ASP 187 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3i04 h GLU 188 N 0.00 0.00 -1.01 -1.24 3.07 -1.79 -0.65 114.58 112.96 3i04 h GLU 188 Ca 0.00 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.13 3i04 h GLU 188 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 3i04 h GLU 188 CO 0.00 0.00 0.59 0.00 -1.40 0.00 0.00 179.01 178.20 3i04 h ALA 189 N 2.06 1.86 0.22 3.43 0.00 -1.27 0.21 119.26 125.76 3i04 h ALA 189 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 189 Cb 0.49 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i04 h ALA 189 CO 0.00 -0.38 -0.26 0.28 0.00 0.00 0.00 179.25 178.89 3i04 h VAL 190 N 0.49 0.45 -0.02 0.00 2.07 -1.36 -2.12 116.25 115.75 3i04 h VAL 190 Ca 0.68 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 68.05 3i04 h VAL 190 Cb 1.39 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3i04 h VAL 190 CO -0.52 0.00 -0.65 -0.33 0.02 0.00 0.00 177.57 176.09 3i04 h GLU 191 N -0.52 0.08 -0.48 1.57 3.07 -1.41 -1.71 114.58 115.16 3i04 h GLU 191 Ca 0.00 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 58.89 3i04 h GLU 191 Cb 0.50 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.34 3i04 h GLU 191 CO -0.08 0.70 0.02 1.96 -1.40 0.00 0.00 179.01 180.21 3i04 h GLN 192 N 0.05 0.13 -0.38 2.33 4.20 -0.53 -0.82 115.11 120.10 3i04 h GLN 192 Ca -0.01 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 3i04 h GLN 192 Cb 1.16 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3i04 h GLN 192 CO 0.09 0.08 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.95 3i04 h LEU 193 N 0.13 0.87 -0.51 1.46 3.38 -1.23 -2.66 115.31 116.75 3i04 h LEU 193 Ca 0.24 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3i04 h LEU 193 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3i04 h LEU 193 CO -0.39 1.11 -0.28 -0.07 0.09 0.00 0.00 178.44 178.90 3i04 h LEU 194 N 0.70 0.95 -1.58 1.67 3.38 -1.23 -1.31 115.31 117.89 3i04 h LEU 194 Ca 0.08 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3i04 h LEU 194 Cb 0.87 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3i04 h LEU 194 CO 0.08 1.16 0.33 -0.08 0.09 0.00 0.00 178.44 180.01 3i04 h GLU 195 N 0.77 0.54 -0.13 1.13 4.81 -1.12 -1.31 114.58 119.27 3i04 h GLU 195 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3i04 h GLU 195 Cb 0.85 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3i04 h GLU 195 CO 0.07 0.36 0.00 0.39 -0.73 0.00 0.00 179.01 179.10 3i04 n GLU 196 N -4.47 1.48 -2.05 1.92 -0.58 -0.88 -4.90 120.64 111.15 3i04 n GLU 196 Ca 0.06 -0.72 -0.16 0.00 -0.42 0.00 0.00 57.16 55.91 3i04 n GLU 196 Cb 0.15 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 3i04 n GLU 196 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3i04 n ASN 197 N -0.03 -4.90 -4.74 1.62 3.02 -0.50 -5.00 115.26 104.74 3i04 n ASN 197 Ca 0.14 0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 3i04 n ASN 197 Cb 0.22 -3.96 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 3i04 n ASN 197 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3i04 s VAL 198 N -2.75 3.61 0.06 2.41 -7.23 -0.55 -5.01 120.40 110.95 3i04 s VAL 198 Ca 0.00 1.41 -0.26 0.00 -1.81 0.00 0.00 61.98 61.32 3i04 s VAL 198 Cb 0.00 -3.90 -0.06 0.00 0.56 0.00 0.00 36.38 32.98 3i04 s VAL 198 CO 0.00 0.25 0.79 -0.54 -0.31 0.00 0.00 175.10 175.29 3i04 s LYS 199 N -0.51 4.52 0.05 4.82 1.02 -1.26 -4.56 119.74 123.83 3i04 s LYS 199 Ca 0.50 1.11 -0.05 0.00 0.02 0.00 0.00 55.97 57.55 3i04 s LYS 199 Cb -0.32 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 3i04 s LYS 199 CO 0.37 0.29 0.09 -0.51 -0.92 0.00 0.00 175.35 174.68 3i04 s LEU 200 N -0.12 1.85 0.00 3.17 1.43 -1.26 -4.96 118.68 118.79 3i04 s LEU 200 Ca 0.39 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3i04 s LEU 200 Cb -0.21 0.61 0.00 0.00 0.03 0.00 0.00 46.19 46.63 3i04 s LEU 200 CO 0.24 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.86 3i04 n GLY 201 N 0.49 0.93 0.11 -3.19 0.00 0.13 -4.84 105.19 98.82 3i04 n GLY 201 Ca -0.17 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 3i04 n GLY 201 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i04 h ILE 202 N 0.00 1.00 0.00 -0.61 2.04 -1.84 -2.18 117.51 115.92 3i04 h ILE 202 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3i04 h ILE 202 Cb 0.00 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3i04 h ILE 202 CO 0.00 0.04 0.00 0.47 0.00 0.00 0.00 178.15 178.66 3i04 n ASP 203 N -4.99 0.18 -0.43 1.72 8.00 -1.26 -1.45 116.55 118.32 3i04 n ASP 203 Ca -0.02 0.57 0.04 0.00 0.71 0.00 0.00 54.79 56.09 3i04 n ASP 203 Cb 0.06 -0.60 0.08 0.00 -0.02 0.00 0.00 41.12 40.64 3i04 n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i04 n TYR 204 N -1.72 0.21 -2.92 1.24 4.01 -1.00 -4.32 117.16 112.66 3i04 n TYR 204 Ca 0.01 -0.30 -0.18 0.00 -0.16 0.00 0.00 57.90 57.27 3i04 n TYR 204 Cb 0.08 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3i04 n TYR 204 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3i04 n ILE 205 N 0.36 -0.91 -3.75 -0.72 5.41 -0.53 -4.54 119.36 114.68 3i04 n ILE 205 Ca 0.07 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.54 3i04 n ILE 205 Cb 0.32 -1.93 -0.16 0.00 -0.71 0.00 0.00 39.64 37.16 3i04 n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i04 s ALA 206 N -2.81 1.19 -0.35 -1.39 0.00 -0.85 -1.57 121.76 115.99 3i04 s ALA 206 Ca 0.21 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 3i04 s ALA 206 Cb -0.11 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.75 3i04 s ALA 206 CO 0.26 -1.28 0.15 0.71 0.00 0.00 0.00 175.76 175.60 3i04 s TYR 207 N 1.77 3.24 -0.53 0.00 2.02 0.13 0.19 117.35 124.16 3i04 s TYR 207 Ca 0.01 -1.18 -0.28 0.00 -0.37 0.00 0.00 57.07 55.24 3i04 s TYR 207 Cb -0.17 -2.34 0.03 0.00 -0.40 0.00 0.00 41.96 39.07 3i04 s TYR 207 CO -0.12 -0.68 1.16 -2.14 -1.57 0.00 0.00 175.55 172.21 3i04 s PRO 208 N 1.48 3.60 0.01 -1.71 0.02 -1.26 0.10 135.00 137.23 3i04 s PRO 208 Ca 0.00 0.38 -0.20 0.00 0.02 0.00 0.00 61.00 61.20 3i04 s PRO 208 Cb -0.19 -3.97 -0.21 0.00 0.02 0.00 0.00 34.50 30.16 3i04 s PRO 208 CO 0.04 -1.54 1.16 -0.07 -0.33 0.00 0.00 177.00 176.26 3i04 h LEU 209 N 11.59 0.47 0.00 -5.54 3.38 -0.83 0.92 115.31 125.30 3i04 h LEU 209 Ca -0.24 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.04 3i04 h LEU 209 Cb 1.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3i04 h LEU 209 CO 1.16 1.09 0.00 0.61 0.09 0.00 0.00 178.44 181.39 3i04 n GLY 210 N 0.84 0.36 3.25 0.83 0.00 -1.25 -2.42 105.19 106.79 3i04 n GLY 210 Ca -0.09 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 3i04 n GLY 210 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i04 s ASN 211 N -4.00 1.24 1.87 1.61 0.01 -1.26 -1.12 114.94 113.29 3i04 s ASN 211 Ca 0.00 -1.19 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 3i04 s ASN 211 Cb 0.00 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.78 3i04 s ASN 211 CO 0.00 -0.58 0.00 0.33 -1.51 0.00 0.00 177.10 175.34 3i04 n PHE 212 N -0.27 0.00 0.22 2.20 7.35 -1.26 -1.28 117.46 124.42 3i04 n PHE 212 Ca -0.06 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3i04 n PHE 212 Cb 0.63 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.60 3i04 n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3i04 n THR 213 N 0.00 1.48 0.28 -2.13 -2.24 -1.26 -1.89 114.28 108.52 3i04 n THR 213 Ca 0.00 0.37 0.10 0.00 -2.27 0.00 0.00 64.05 62.25 3i04 n THR 213 Cb 0.00 -1.27 0.47 0.00 -2.10 0.00 0.00 70.33 67.43 3i04 n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 n GLN 214 N -1.46 0.14 0.13 -0.78 3.00 -0.40 -1.85 117.38 116.15 3i04 n GLN 214 Ca 0.02 0.49 0.15 0.00 -0.01 0.00 0.00 57.00 57.65 3i04 n GLN 214 Cb 0.07 -1.84 0.68 0.00 0.00 0.00 0.00 30.24 29.15 3i04 n GLN 214 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 3i04 h ILE 215 N 0.00 0.83 0.00 5.09 6.09 -1.57 -0.88 117.51 127.06 3i04 h ILE 215 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3i04 h ILE 215 Cb 0.19 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.33 3i04 h ILE 215 CO 0.00 0.00 0.04 1.62 -3.07 0.00 0.00 178.15 176.74 3i04 h VAL 216 N 0.00 0.00 0.00 2.19 3.04 -1.64 -1.81 116.25 118.03 3i04 h VAL 216 Ca 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 3i04 h VAL 216 Cb 0.54 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3i04 h VAL 216 CO -0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.97 3i04 n HIS 217 N -2.80 0.00 0.09 3.17 8.25 -0.33 -0.68 115.22 122.92 3i04 n HIS 217 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3i04 n HIS 217 Cb 0.10 -0.46 -0.13 0.00 1.12 0.00 0.00 29.99 30.62 3i04 n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i04 h ALA 218 N 2.91 0.19 0.05 -1.41 0.00 -1.52 -3.26 119.26 116.21 3i04 h ALA 218 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 54.91 53.85 3i04 h ALA 218 Cb 0.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i04 h ALA 218 CO 0.00 1.08 -0.63 0.00 0.00 0.00 0.00 179.25 179.70 3i04 h ALA 219 N 0.72 0.01 0.00 0.00 0.00 -0.98 -2.49 119.26 116.53 3i04 h ALA 219 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3i04 h ALA 219 Cb 1.91 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3i04 h ALA 219 CO 0.18 0.33 0.00 -2.95 0.00 0.00 0.00 179.25 176.81 3i04 h ASN 220 N -0.24 0.00 0.22 0.00 7.08 -1.27 -1.74 115.58 119.62 3i04 h ASN 220 Ca -0.09 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.12 3i04 h ASN 220 Cb 1.39 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.63 3i04 h ASN 220 CO 0.12 0.00 -0.11 0.22 -2.08 0.00 0.00 177.43 175.59 3i04 h TYR 221 N 0.00 -0.27 -0.75 4.14 5.03 -1.60 -2.99 116.97 120.52 3i04 h TYR 221 Ca 0.00 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.45 3i04 h TYR 221 Cb 0.57 0.09 -0.14 0.00 1.55 0.00 0.00 36.73 38.80 3i04 h TYR 221 CO 0.00 -0.17 -0.24 0.00 -1.32 0.00 0.00 178.16 176.43 3i04 h ALA 222 N -1.45 0.36 0.00 1.82 0.00 -1.40 -1.79 119.26 116.81 3i04 h ALA 222 Ca -0.03 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3i04 h ALA 222 Cb 0.23 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3i04 h ALA 222 CO 0.05 -0.48 -0.24 -0.07 0.00 0.00 0.00 179.25 178.51 3i04 h LEU 223 N -0.04 0.00 -1.48 0.00 3.38 -1.46 -2.27 115.31 113.45 3i04 h LEU 223 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3i04 h LEU 223 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3i04 h LEU 223 CO -0.79 0.24 0.00 0.03 0.09 0.00 0.00 178.44 178.01 3i04 h ARG 224 N 0.00 0.00 0.16 1.13 3.08 -1.16 -3.30 114.38 114.28 3i04 h ARG 224 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i04 h ARG 224 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3i04 h ARG 224 CO 0.03 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.86 3i04 h ALA 225 N 2.09 -0.21 -0.52 0.04 0.00 -1.47 0.25 119.26 119.44 3i04 h ALA 225 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.80 3i04 h ALA 225 Cb 0.24 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3i04 h ALA 225 CO 0.00 -0.37 0.36 0.78 0.00 0.00 0.00 179.25 180.02 3i04 h GLY 226 N -0.71 0.34 1.50 0.00 0.00 -1.74 0.17 103.07 102.63 3i04 h GLY 226 Ca -0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 3i04 h GLY 226 CO 0.04 0.06 -1.00 -0.33 0.00 0.00 0.00 176.54 175.31 3i04 h MET 227 N 0.24 0.00 0.00 4.80 2.07 -1.62 0.17 114.93 120.58 3i04 h MET 227 Ca 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.87 3i04 h MET 227 Cb 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.38 3i04 h MET 227 CO -0.05 0.44 0.00 -1.33 1.07 0.00 0.00 176.91 177.04 3i04 n MET 228 N -3.07 0.00 -0.03 1.72 2.81 0.87 -4.32 117.12 115.10 3i04 n MET 228 Ca -0.04 0.03 -0.14 0.00 -1.81 0.00 0.00 57.70 55.74 3i04 n MET 228 Cb 0.81 -0.44 -0.10 0.00 -0.71 0.00 0.00 33.22 32.78 3i04 n MET 228 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 3i04 h PHE 229 N 0.00 0.28 0.00 2.03 0.04 -0.87 -3.13 116.94 115.29 3i04 h PHE 229 Ca 0.00 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3i04 h PHE 229 Cb 0.00 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.10 3i04 h PHE 229 CO 0.00 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 178.92 3i04 n GLY 230 N 0.60 -1.06 2.31 -1.45 0.00 -0.22 -3.96 105.19 101.42 3i04 n GLY 230 Ca -0.08 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 3i04 n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 231 N -0.42 1.17 3.77 -0.02 0.00 -0.70 -4.81 105.19 104.17 3i04 n GLY 231 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3i04 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i04 s VAL 232 N -2.51 2.90 0.14 1.61 1.01 0.51 -4.93 120.40 119.13 3i04 s VAL 232 Ca 0.00 0.84 -0.31 0.00 0.00 0.00 0.00 61.98 62.51 3i04 s VAL 232 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 3i04 s VAL 232 CO 0.00 0.16 1.40 -0.89 0.00 0.00 0.00 175.10 175.77 3i04 s THR 233 N -1.24 3.17 0.05 3.92 2.01 -1.26 -4.53 115.64 117.76 3i04 s THR 233 Ca 0.52 0.86 -0.32 0.00 0.31 0.00 0.00 61.69 63.07 3i04 s THR 233 Cb -0.36 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 68.49 3i04 s THR 233 CO 0.47 0.08 1.88 -2.65 -0.69 0.00 0.00 174.62 173.71 3i04 n PRO 234 N 3.69 2.65 0.00 4.92 -0.02 -1.26 -1.82 135.00 143.15 3i04 n PRO 234 Ca 0.11 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3i04 n PRO 234 Cb 0.42 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 3i04 n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i04 n GLY 235 N 4.33 0.78 3.57 -1.23 0.00 0.21 -4.45 105.19 108.40 3i04 n GLY 235 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3i04 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 236 N -1.69 3.26 -0.13 4.61 0.00 -0.76 -4.48 120.51 121.32 3i04 n ALA 236 Ca 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 53.44 49.65 3i04 n ALA 236 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 19.45 15.86 3i04 n ALA 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i04 h ARG 237 N 7.94 0.55 -0.69 0.00 2.43 -1.83 -2.09 114.38 120.68 3i04 h ARG 237 Ca 0.41 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 3i04 h ARG 237 Cb 0.88 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3i04 h ARG 237 CO 1.42 0.47 0.25 1.49 -1.51 0.00 0.00 179.97 182.09 3i04 h GLU 238 N 0.49 1.04 -0.93 0.20 4.81 -1.93 -2.38 114.58 115.89 3i04 h GLU 238 Ca 0.13 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i04 h GLU 238 Cb 0.09 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 3i04 h GLU 238 CO -0.02 0.88 0.57 0.93 -0.73 0.00 0.00 179.01 180.65 3i04 h GLU 239 N 0.99 1.24 -0.14 1.92 5.08 -1.82 0.15 114.58 122.01 3i04 h GLU 239 Ca 0.23 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3i04 h GLU 239 Cb 0.25 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3i04 h GLU 239 CO -0.01 0.86 -0.44 1.96 -1.00 0.00 0.00 179.01 180.37 3i04 h GLN 240 N 1.27 0.54 -0.02 2.33 1.08 -1.21 -0.60 115.11 118.50 3i04 h GLN 240 Ca 0.33 -0.40 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 3i04 h GLN 240 Cb -0.08 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3i04 h GLN 240 CO -0.07 1.02 -0.33 0.00 -0.95 0.00 0.00 178.83 178.51 3i04 h ARG 241 N 0.17 0.04 -0.06 1.46 3.08 -1.31 -1.25 114.38 116.51 3i04 h ARG 241 Ca -0.02 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.77 3i04 h ARG 241 Cb 1.06 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.13 3i04 h ARG 241 CO 0.09 0.36 -0.94 0.22 -1.07 0.00 0.00 179.97 178.64 3i04 h ASP 242 N 0.04 0.93 0.29 7.04 3.58 -0.75 -1.72 116.42 125.83 3i04 h ASP 242 Ca 0.00 -0.69 -0.06 0.00 0.42 0.00 0.00 57.03 56.70 3i04 h ASP 242 Cb 0.60 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3i04 h ASP 242 CO 0.04 1.49 -0.29 0.22 -2.88 0.00 0.00 179.24 177.83 3i04 h TYR 243 N 0.46 0.00 -0.02 0.28 5.03 -0.87 -2.17 116.97 119.68 3i04 h TYR 243 Ca -0.10 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 3i04 h TYR 243 Cb 1.58 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.86 3i04 h TYR 243 CO 0.10 0.29 -0.09 1.96 -1.32 0.00 0.00 178.16 179.09 3i04 h GLN 244 N 0.00 0.10 -0.24 1.82 1.08 -1.19 -2.28 115.11 114.39 3i04 h GLN 244 Ca -0.00 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3i04 h GLN 244 Cb 0.51 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3i04 h GLN 244 CO 0.04 0.74 0.13 -0.09 -0.95 0.00 0.00 178.83 178.70 3i04 h ARG 245 N -0.53 0.32 0.08 1.46 9.65 -1.17 -2.40 114.38 121.80 3i04 h ARG 245 Ca -0.01 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.68 3i04 h ARG 245 Cb 0.76 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 29.29 3i04 h ARG 245 CO 0.02 0.25 -0.69 0.00 2.80 0.00 0.00 179.97 182.35 3i04 h ARG 246 N 0.33 0.33 0.00 0.20 3.08 -1.40 -3.42 114.38 113.50 3i04 h ARG 246 Ca 0.09 -0.46 -0.09 0.00 0.07 0.00 0.00 59.98 59.59 3i04 h ARG 246 Cb 0.02 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3i04 h ARG 246 CO -0.01 1.17 -1.33 0.54 -1.07 0.00 0.00 179.97 179.27 3i04 n ARG 247 N -4.19 3.15 -3.21 0.04 1.74 -0.86 -4.81 116.66 108.51 3i04 n ARG 247 Ca -0.12 -0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.50 3i04 n ARG 247 Cb 0.74 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 3i04 n ARG 247 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i04 s ILE 248 N -2.12 5.29 -1.25 0.55 -1.09 -0.91 -4.97 121.20 116.70 3i04 s ILE 248 Ca -0.03 -2.03 -0.16 0.00 -2.23 0.00 0.00 60.65 56.20 3i04 s ILE 248 Cb 0.01 -4.53 0.11 0.00 -1.58 0.00 0.00 42.46 36.47 3i04 s ILE 248 CO 0.20 -1.14 1.61 -0.13 -1.23 0.00 0.00 174.94 174.25 3i04 s ARG 249 N 1.13 4.02 -0.02 2.79 0.52 -1.26 -4.70 118.95 121.43 3i04 s ARG 249 Ca 0.19 -2.21 0.04 0.00 -0.52 0.00 0.00 55.73 53.23 3i04 s ARG 249 Cb -0.12 -5.34 -0.03 0.00 0.52 0.00 0.00 34.95 29.98 3i04 s ARG 249 CO -0.06 -2.06 -0.13 0.00 0.02 0.00 0.00 175.30 173.06 3i04 s ALA 250 N 3.18 2.73 0.31 2.13 0.00 -1.26 -0.47 121.76 128.39 3i04 s ALA 250 Ca 0.49 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3i04 s ALA 250 Cb 0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 3i04 s ALA 250 CO 0.04 0.57 0.07 -0.59 0.00 0.00 0.00 175.76 175.85 3i04 s PHE 251 N -0.83 1.87 -0.20 0.00 -0.12 -0.96 -4.20 117.98 113.54 3i04 s PHE 251 Ca 0.13 -1.01 -0.01 0.00 -0.05 0.00 0.00 56.93 55.99 3i04 s PHE 251 Cb -0.11 -1.20 0.00 0.00 -0.63 0.00 0.00 43.02 41.09 3i04 s PHE 251 CO 0.03 -0.07 -0.12 0.08 -0.05 0.00 0.00 175.22 175.09 3i04 s VAL 252 N -3.40 2.76 -0.65 -2.49 1.01 -0.74 -1.60 120.40 115.28 3i04 s VAL 252 Ca 0.37 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3i04 s VAL 252 Cb 0.09 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.35 3i04 s VAL 252 CO 0.15 0.48 0.82 -0.76 0.00 0.00 0.00 175.10 175.79 3i04 s LEU 253 N 1.35 5.15 -0.66 3.92 1.43 0.86 -0.25 118.68 130.47 3i04 s LEU 253 Ca 0.05 -1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 51.54 3i04 s LEU 253 Cb -0.14 -2.34 0.14 0.00 0.03 0.00 0.00 46.19 43.88 3i04 s LEU 253 CO -0.07 -1.18 0.72 -0.47 0.23 0.00 0.00 176.35 175.58 3i04 s TYR 254 N 2.94 3.23 -0.11 0.29 5.04 -0.39 -0.70 117.35 127.65 3i04 s TYR 254 Ca 0.17 -1.30 -0.03 0.00 -2.44 0.00 0.00 57.07 53.47 3i04 s TYR 254 Cb -0.20 -3.95 -0.03 0.00 0.35 0.00 0.00 41.96 38.13 3i04 s TYR 254 CO 0.05 -1.19 -0.01 -0.51 -1.34 0.00 0.00 175.55 172.55 3i04 s LEU 255 N 1.91 3.47 0.00 6.97 1.43 0.24 -3.08 118.68 129.63 3i04 s LEU 255 Ca 0.13 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3i04 s LEU 255 Cb -0.21 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3i04 s LEU 255 CO 0.01 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3i04 n GLY 256 N 2.63 -2.26 3.72 -3.19 0.00 -1.14 -1.19 105.19 103.76 3i04 n GLY 256 Ca -0.18 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 3i04 n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i04 n GLU 257 N -0.08 2.60 -2.84 1.61 2.13 -1.26 -4.79 120.64 118.00 3i04 n GLU 257 Ca 0.00 0.93 -0.33 0.00 0.66 0.00 0.00 57.16 58.42 3i04 n GLU 257 Cb 0.00 -2.73 -0.07 0.00 0.27 0.00 0.00 31.44 28.92 3i04 n GLU 257 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 3i04 s HIS 258 N 0.58 3.33 0.21 4.31 3.76 -1.26 -4.98 115.29 121.25 3i04 s HIS 258 Ca 0.71 1.53 0.02 0.00 -0.15 0.00 0.00 55.06 57.16 3i04 s HIS 258 Cb -0.54 -2.79 -0.05 0.00 1.11 0.00 0.00 32.58 30.32 3i04 s HIS 258 CO 0.41 -0.10 0.04 0.16 -0.85 0.00 0.00 174.74 174.40 3i04 s ASP 259 N -2.28 1.23 0.31 1.40 -4.77 -1.26 -5.05 116.67 106.25 3i04 s ASP 259 Ca 0.60 -1.26 0.08 0.00 -3.30 0.00 0.00 52.55 48.67 3i04 s ASP 259 Cb -0.09 0.13 0.52 0.00 -1.09 0.00 0.00 42.92 42.39 3i04 s ASP 259 CO 0.15 -0.63 1.73 0.00 0.70 0.00 0.00 175.17 177.13 3i04 h MET 260 N 2.57 0.20 -0.06 2.11 -0.00 -1.97 0.47 114.93 118.24 3i04 h MET 260 Ca -0.37 -0.09 -0.24 0.00 -0.00 0.00 0.00 59.70 59.00 3i04 h MET 260 Cb 1.22 -0.01 0.02 0.00 -0.00 0.00 0.00 31.60 32.83 3i04 h MET 260 CO 0.62 0.56 -0.90 0.28 -0.00 0.00 0.00 176.91 177.47 3i04 h VAL 261 N 0.17 1.29 -0.79 -0.10 2.07 -1.87 -0.49 116.25 116.53 3i04 h VAL 261 Ca 0.02 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.38 3i04 h VAL 261 Cb 0.76 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 3i04 h VAL 261 CO 0.06 0.66 0.34 0.11 0.02 0.00 0.00 177.57 178.75 3i04 h LYS 262 N 0.40 1.17 0.27 1.57 1.57 -1.87 -0.37 116.57 119.31 3i04 h LYS 262 Ca -0.10 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3i04 h LYS 262 Cb 1.55 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3i04 h LYS 262 CO 0.18 0.93 -0.13 1.15 -0.57 0.00 0.00 179.45 181.01 3i04 h THR 263 N 1.14 0.77 -0.86 -0.16 2.02 -0.86 -1.14 112.91 113.81 3i04 h THR 263 Ca 0.27 -0.40 0.19 0.00 0.77 0.00 0.00 66.41 67.24 3i04 h THR 263 Cb 0.18 1.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.48 3i04 h THR 263 CO -0.03 0.08 0.39 0.00 0.37 0.00 0.00 175.52 176.34 3i04 h ALA 264 N 0.08 1.34 -0.29 6.16 0.00 -0.99 -0.06 119.26 125.51 3i04 h ALA 264 Ca -0.04 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3i04 h ALA 264 Cb 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i04 h ALA 264 CO 0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 179.25 178.91 3i04 h ALA 265 N 1.65 1.21 -0.67 0.00 0.00 -0.90 -2.38 119.26 118.17 3i04 h ALA 265 Ca 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3i04 h ALA 265 Cb 0.90 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3i04 h ALA 265 CO -0.47 0.51 0.39 0.00 0.00 0.00 0.00 179.25 179.67 3i04 h ALA 266 N 1.39 1.42 0.00 0.00 0.00 0.26 -2.58 119.26 119.75 3i04 h ALA 266 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 266 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i04 h ALA 266 CO 0.03 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.96 3i04 n PHE 267 N -4.39 0.00 0.03 0.00 3.72 -0.62 -1.60 117.46 114.60 3i04 n PHE 267 Ca 0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3i04 n PHE 267 Cb 0.08 -0.43 -0.10 0.00 -0.94 0.00 0.00 39.48 38.10 3i04 n PHE 267 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3i04 h GLY 268 N 3.18 0.00 0.91 1.37 0.00 -1.36 -1.35 103.07 105.82 3i04 h GLY 268 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3i04 h GLY 268 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.42 3i04 h ALA 269 N 1.20 -0.33 0.06 3.60 0.00 -1.28 -2.65 119.26 119.86 3i04 h ALA 269 Ca -0.16 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3i04 h ALA 269 Cb 1.75 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 3i04 h ALA 269 CO 0.08 -0.64 -0.30 0.82 0.00 0.00 0.00 179.25 179.20 3i04 h ILE 270 N -0.42 0.34 -1.41 0.00 2.04 -1.14 -0.81 117.51 116.10 3i04 h ILE 270 Ca -0.03 0.00 0.44 0.00 1.00 0.00 0.00 64.86 66.27 3i04 h ILE 270 Cb 0.32 0.34 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 3i04 h ILE 270 CO 0.06 0.00 0.95 0.15 0.00 0.00 0.00 178.15 179.30 3i04 h PHE 271 N -0.49 0.38 -0.24 1.37 3.57 -1.29 0.44 116.94 120.69 3i04 h PHE 271 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3i04 h PHE 271 Cb 0.55 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3i04 h PHE 271 CO -0.30 -0.13 0.00 -2.37 -2.23 0.00 0.00 178.31 173.28 3i04 n THR 272 N -4.49 0.30 0.00 4.41 5.66 -0.42 -4.98 114.28 114.76 3i04 n THR 272 Ca 0.37 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 3i04 n THR 272 Cb 1.48 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 71.38 3i04 n THR 272 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i04 n GLY 273 N 1.43 0.98 3.71 1.09 0.00 0.16 -3.92 105.19 108.63 3i04 n GLY 273 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3i04 n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i04 s PHE 274 N -2.00 3.37 0.65 1.61 0.08 -0.54 -4.88 117.98 116.27 3i04 s PHE 274 Ca 0.00 0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 3i04 s PHE 274 Cb 0.00 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 3i04 s PHE 274 CO 0.00 0.24 1.04 -1.25 -0.10 0.00 0.00 175.22 175.15 3i04 s PRO 275 N 0.44 3.35 -0.11 0.24 0.04 -1.26 -2.68 135.00 135.02 3i04 s PRO 275 Ca 0.07 0.81 0.03 0.00 0.04 0.00 0.00 61.00 61.95 3i04 s PRO 275 Cb -0.11 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3i04 s PRO 275 CO -0.01 -0.77 -0.20 0.08 0.04 0.00 0.00 177.00 176.14 3i04 s VAL 276 N -3.14 1.81 -0.13 -0.36 1.01 0.53 -1.78 120.40 118.34 3i04 s VAL 276 Ca 0.56 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3i04 s VAL 276 Cb -0.12 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3i04 s VAL 276 CO 0.54 0.50 -0.16 -0.63 0.00 0.00 0.00 175.10 175.36 3i04 s ILE 277 N 0.66 2.74 0.13 2.22 1.09 0.65 -1.58 121.20 127.11 3i04 s ILE 277 Ca -0.12 -0.77 0.09 0.00 -1.10 0.00 0.00 60.65 58.75 3i04 s ILE 277 Cb -0.16 -2.13 -0.04 0.00 -1.06 0.00 0.00 42.46 39.06 3i04 s ILE 277 CO 0.03 0.53 -0.17 0.28 -0.10 0.00 0.00 174.94 175.50 3i04 s THR 278 N 0.49 2.85 -2.02 2.92 -1.32 0.56 -1.26 115.64 117.87 3i04 s THR 278 Ca -0.11 -1.56 0.32 0.00 -1.21 0.00 0.00 61.69 59.13 3i04 s THR 278 Cb -0.16 -2.33 0.90 0.00 -1.51 0.00 0.00 72.50 69.40 3i04 s THR 278 CO 0.05 0.06 2.21 -0.90 -2.21 0.00 0.00 174.62 173.82 3i04 n ASP 279 N 0.66 0.05 -4.82 8.08 5.75 -1.18 -0.71 116.55 124.37 3i04 n ASP 279 Ca -0.15 -1.02 -0.38 0.00 -0.01 0.00 0.00 54.79 53.24 3i04 n ASP 279 Cb 0.53 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 3i04 n ASP 279 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3i04 s GLN 280 N -2.00 4.09 0.16 0.11 -1.52 -1.26 -4.43 119.66 114.80 3i04 s GLN 280 Ca 0.48 0.61 -0.30 0.00 -1.95 0.00 0.00 55.36 54.20 3i04 s GLN 280 Cb 0.22 -3.17 -0.07 0.00 -0.22 0.00 0.00 33.01 29.76 3i04 s GLN 280 CO 0.37 0.62 1.19 -1.25 -0.25 0.00 0.00 175.29 175.97 3i04 s PRO 281 N -1.27 4.49 -0.12 2.91 0.04 -1.26 -4.63 135.00 135.16 3i04 s PRO 281 Ca 0.29 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.20 3i04 s PRO 281 Cb -0.18 -3.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 3i04 s PRO 281 CO 0.18 -0.11 -0.20 -0.51 0.04 0.00 0.00 177.00 176.40 3i04 s LEU 282 N 0.07 2.32 0.97 -3.56 1.43 -1.26 -5.12 118.68 113.53 3i04 s LEU 282 Ca 0.54 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 3i04 s LEU 282 Cb -0.32 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.49 3i04 s LEU 282 CO 0.35 0.15 0.50 -2.65 0.23 0.00 0.00 176.35 174.93 3i04 n PRO 283 N 3.62 -0.55 -0.31 1.29 -0.02 -1.26 -4.88 135.00 132.89 3i04 n PRO 283 Ca -0.19 -0.12 -0.00 0.00 -2.02 0.00 0.00 63.50 61.17 3i04 n PRO 283 Cb 0.53 -1.93 0.04 0.00 -0.02 0.00 0.00 33.50 32.11 3i04 n PRO 283 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i04 n GLU 284 N -2.28 -0.18 -0.46 -0.52 1.02 -1.26 -1.83 120.64 115.13 3i04 n GLU 284 Ca 0.07 1.26 -0.04 0.00 -0.02 0.00 0.00 57.16 58.43 3i04 n GLU 284 Cb 0.54 -1.88 0.13 0.00 -0.02 0.00 0.00 31.44 30.21 3i04 n GLU 284 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i04 n ASP 285 N -5.22 3.19 -0.19 1.62 3.85 -1.26 -3.69 116.55 114.85 3i04 n ASP 285 Ca 0.09 -2.55 0.02 0.00 -0.71 0.00 0.00 54.79 51.63 3i04 n ASP 285 Cb 0.33 -0.61 0.03 0.00 -1.35 0.00 0.00 41.12 39.52 3i04 n ASP 285 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3i04 n LYS 286 N 0.03 0.71 -3.86 0.11 4.76 -0.76 -3.24 118.16 115.90 3i04 n LYS 286 Ca 0.19 -1.22 -0.11 0.00 -2.87 0.00 0.00 58.31 54.30 3i04 n LYS 286 Cb 0.84 -0.77 -0.10 0.00 -1.84 0.00 0.00 35.03 33.17 3i04 n LYS 286 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3i04 s GLN 287 N -0.69 0.49 -0.19 1.97 1.03 -1.24 -4.88 119.66 116.15 3i04 s GLN 287 Ca 0.06 -0.38 -0.02 0.00 0.04 0.00 0.00 55.36 55.06 3i04 s GLN 287 Cb 0.05 0.21 0.06 0.00 0.03 0.00 0.00 33.01 33.35 3i04 s GLN 287 CO 0.01 -0.12 0.00 0.42 -2.54 0.00 0.00 175.29 173.06 3i04 s ILE 288 N -1.37 0.80 0.24 3.63 1.01 0.04 -4.71 121.20 120.84 3i04 s ILE 288 Ca -0.15 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3i04 s ILE 288 Cb -0.07 -1.20 -0.14 0.00 0.01 0.00 0.00 42.46 41.05 3i04 s ILE 288 CO 0.02 -0.12 1.18 -2.65 0.00 0.00 0.00 174.94 173.36 3i04 n PRO 289 N 4.95 1.50 0.00 2.79 -0.02 -1.26 -1.10 135.00 141.86 3i04 n PRO 289 Ca -0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3i04 n PRO 289 Cb 0.47 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3i04 n PRO 289 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i04 n ASP 290 N 1.69 0.00 0.00 2.55 8.00 -1.26 -4.68 116.55 122.85 3i04 n ASP 290 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3i04 n ASP 290 Cb 0.30 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3i04 n ASP 290 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3i04 n TRP 291 N -1.88 0.00 -3.51 1.24 7.02 -0.65 -4.70 117.44 114.97 3i04 n TRP 291 Ca 0.00 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.19 3i04 n TRP 291 Cb 0.00 0.01 -0.13 0.00 -2.42 0.00 0.00 31.31 28.76 3i04 n TRP 291 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 3i04 s PHE 292 N -1.97 0.58 0.24 -5.99 2.19 -0.26 0.20 117.98 112.98 3i04 s PHE 292 Ca 0.00 -1.30 -0.08 0.00 0.33 0.00 0.00 56.93 55.88 3i04 s PHE 292 Cb 0.00 -0.94 -0.02 0.00 -1.31 0.00 0.00 43.02 40.75 3i04 s PHE 292 CO 0.00 -0.83 0.37 -0.59 1.83 0.00 0.00 175.22 176.00 3i04 s PHE 293 N 1.53 0.69 -0.28 10.12 -0.12 -0.61 -0.78 117.98 128.53 3i04 s PHE 293 Ca 0.14 -0.99 -0.12 0.00 -0.05 0.00 0.00 56.93 55.91 3i04 s PHE 293 Cb -0.20 -0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 3i04 s PHE 293 CO -0.17 -0.90 0.22 0.45 -0.05 0.00 0.00 175.22 174.78 3i04 s SER 294 N -3.09 6.06 -0.36 1.98 0.15 -1.26 -0.32 113.70 116.86 3i04 s SER 294 Ca 0.29 0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.98 3i04 s SER 294 Cb 0.02 -2.14 0.10 0.00 -1.71 0.00 0.00 66.02 62.30 3i04 s SER 294 CO 0.11 -0.08 0.08 -0.69 1.20 0.00 0.00 173.24 173.86 3i04 s VAL 295 N 1.81 2.43 0.17 4.45 1.01 0.11 -4.93 120.40 125.45 3i04 s VAL 295 Ca 0.08 -2.35 0.08 0.00 0.00 0.00 0.00 61.98 59.79 3i04 s VAL 295 Cb -0.16 -2.77 -0.14 0.00 0.00 0.00 0.00 36.38 33.30 3i04 s VAL 295 CO 0.11 -0.62 1.40 -0.33 0.00 0.00 0.00 175.10 175.66 3i04 h GLU 296 N 7.62 0.00 -6.19 2.72 5.08 -1.77 -3.36 114.58 118.68 3i04 h GLU 296 Ca -0.05 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.74 3i04 h GLU 296 Cb 1.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3i04 h GLU 296 CO 0.55 0.86 0.90 0.34 -1.00 0.00 0.00 179.01 180.66 3i04 s ASP 297 N -6.75 6.90 0.50 1.42 -1.08 -1.26 -4.90 116.67 111.50 3i04 s ASP 297 Ca 0.00 1.52 0.27 0.00 -0.52 0.00 0.00 52.55 53.82 3i04 s ASP 297 Cb 0.11 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.30 3i04 s ASP 297 CO 0.80 -0.82 1.98 1.88 0.52 0.00 0.00 175.17 179.53 3i04 h TYR 298 N 8.34 0.00 0.00 -5.34 -1.99 -2.00 -2.41 116.97 113.57 3i04 h TYR 298 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3i04 h TYR 298 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 3i04 h TYR 298 CO 0.81 0.15 0.00 -0.25 -0.00 0.00 0.00 178.16 178.87 3i04 n ASP 299 N -3.49 0.61 -0.00 3.88 10.43 -1.26 -3.25 116.55 123.47 3i04 n ASP 299 Ca -0.01 0.59 0.10 0.00 2.57 0.00 0.00 54.79 58.04 3i04 n ASP 299 Cb 0.31 -0.74 -0.14 0.00 1.84 0.00 0.00 41.12 42.39 3i04 n ASP 299 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i04 n LYS 300 N -2.10 0.39 0.01 -1.24 5.02 -0.92 -4.80 118.16 114.52 3i04 n LYS 300 Ca 0.05 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 3i04 n LYS 300 Cb 0.34 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.78 3i04 n LYS 300 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i04 h ILE 301 N 0.00 1.27 -0.69 -0.18 2.04 -1.50 -2.41 117.51 116.04 3i04 h ILE 301 Ca 0.00 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3i04 h ILE 301 Cb 0.70 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 3i04 h ILE 301 CO 0.00 0.22 0.41 0.58 0.00 0.00 0.00 178.15 179.36 3i04 h VAL 302 N -0.39 1.04 -0.13 1.67 2.07 -1.87 -0.21 116.25 118.44 3i04 h VAL 302 Ca -0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3i04 h VAL 302 Cb 0.38 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3i04 h VAL 302 CO 0.00 0.14 -0.01 -0.61 0.02 0.00 0.00 177.57 177.11 3i04 h GLN 303 N 0.78 0.23 -0.67 1.57 4.15 -1.88 -1.25 115.11 118.05 3i04 h GLN 303 Ca 0.29 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 3i04 h GLN 303 Cb 0.09 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3i04 h GLN 303 CO -0.14 0.50 0.19 0.82 -1.93 0.00 0.00 178.83 178.27 3i04 h ILE 304 N -0.05 1.26 -0.74 2.39 2.04 -1.37 0.03 117.51 121.06 3i04 h ILE 304 Ca 0.03 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 65.08 3i04 h ILE 304 Cb 0.40 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 3i04 h ILE 304 CO 0.01 0.35 0.40 0.00 0.00 0.00 0.00 178.15 178.91 3i04 h ALA 305 N 1.08 1.03 -0.27 1.87 0.00 -0.99 0.11 119.26 122.09 3i04 h ALA 305 Ca 0.21 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 305 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i04 h ALA 305 CO -0.00 0.04 -0.21 0.52 0.00 0.00 0.00 179.25 179.59 3i04 h MET 306 N 0.70 0.62 -0.12 0.00 2.86 -0.59 -1.01 114.93 117.39 3i04 h MET 306 Ca 0.35 -0.31 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 3i04 h MET 306 Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3i04 h MET 306 CO -0.24 0.90 -0.71 1.05 1.06 0.00 0.00 176.91 178.97 3i04 h GLU 307 N 0.35 0.56 -0.48 1.72 4.11 -0.93 1.45 114.58 121.35 3i04 h GLU 307 Ca 0.05 -0.44 0.01 0.00 0.07 0.00 0.00 59.36 59.05 3i04 h GLU 307 Cb 0.76 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3i04 h GLU 307 CO 0.06 1.06 0.31 1.15 0.07 0.00 0.00 179.01 181.65 3i04 h THR 308 N 0.39 1.09 0.00 -1.06 2.02 -0.78 -1.88 112.91 112.70 3i04 h THR 308 Ca -0.03 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3i04 h THR 308 Cb 1.30 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3i04 h THR 308 CO 0.13 0.11 0.00 -0.09 0.37 0.00 0.00 175.52 176.05 3i04 h ARG 309 N 0.62 0.00 -3.74 6.66 9.65 -1.03 -3.47 114.38 123.07 3i04 h ARG 309 Ca 0.18 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.87 3i04 h ARG 309 Cb -0.04 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 28.63 3i04 h ARG 309 CO -0.06 0.00 -0.38 0.41 2.80 0.00 0.00 179.97 182.74 3i04 n GLY 310 N 0.13 0.09 3.44 2.80 0.00 -0.54 -5.03 105.19 106.09 3i04 n GLY 310 Ca 0.02 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 3i04 n GLY 310 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 311 N -3.18 5.17 -0.21 -0.61 1.01 0.48 -4.99 121.20 118.88 3i04 s ILE 311 Ca 0.18 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 3i04 s ILE 311 Cb -0.08 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3i04 s ILE 311 CO 0.39 -0.49 0.10 -0.54 0.00 0.00 0.00 174.94 174.40 3i04 s LYS 312 N 1.87 4.01 -0.02 2.79 1.02 -1.26 -4.42 119.74 123.73 3i04 s LYS 312 Ca 0.07 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 3i04 s LYS 312 Cb -0.21 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 3i04 s LYS 312 CO 0.10 0.17 0.03 -0.48 -0.92 0.00 0.00 175.35 174.25 3i04 s LEU 313 N 0.70 1.47 -1.06 3.17 0.05 -1.26 -5.06 118.68 116.69 3i04 s LEU 313 Ca 0.05 0.06 -0.06 0.00 0.05 0.00 0.00 54.13 54.24 3i04 s LEU 313 Cb -0.13 0.04 0.05 0.00 -2.05 0.00 0.00 46.19 44.10 3i04 s LEU 313 CO 0.02 -0.07 2.64 0.35 -0.55 0.00 0.00 176.35 178.73 3i04 n THR 314 N 3.62 4.51 0.00 5.48 -2.24 -1.26 -4.93 114.28 119.47 3i04 n THR 314 Ca -0.20 -3.59 0.00 0.00 -2.27 0.00 0.00 64.05 57.99 3i04 n THR 314 Cb 0.55 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 3i04 n THR 314 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i04 n LYS 315 N 1.80 0.00 -3.33 -0.78 5.02 -1.26 -4.85 118.16 114.76 3i04 n LYS 315 Ca 0.60 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.63 3i04 n LYS 315 Cb 0.36 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.40 3i04 n LYS 315 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3i04 n ILE 316 N 0.00 -4.87 -0.92 -0.18 0.00 -1.26 -5.05 119.36 107.08 3i04 n ILE 316 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 62.75 63.09 3i04 n ILE 316 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 39.64 35.55 3i04 n ILE 316 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3i04 n LYS 317 N 0.11 3.58 -3.64 9.51 2.85 -1.26 -5.01 118.16 124.29 3i04 n LYS 317 Ca -0.04 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.15 3i04 n LYS 317 Cb 0.59 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.91 3i04 n LYS 317 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 3i04 s LEU 318 N 0.00 -0.36 0.15 -5.58 2.34 -1.26 -5.04 118.68 108.93 3i04 s LEU 318 Ca 0.00 0.68 -0.31 0.00 0.06 0.00 0.00 54.13 54.56 3i04 s LEU 318 Cb 0.00 1.68 -0.09 0.00 -0.56 0.00 0.00 46.19 47.22 3i04 s LEU 318 CO 0.00 -0.12 1.48 -0.62 -1.06 0.00 0.00 176.35 176.04 3i04 s ASP 319 N 0.32 6.69 -0.19 1.48 -1.08 -1.26 -5.02 116.67 117.62 3i04 s ASP 319 Ca 0.03 2.50 -0.18 0.00 -0.52 0.00 0.00 52.55 54.38 3i04 s ASP 319 Cb -0.05 -2.59 0.05 0.00 -1.46 0.00 0.00 42.92 38.87 3i04 s ASP 319 CO -0.09 -0.74 0.51 -0.76 0.52 0.00 0.00 175.17 174.60 3i04 s LEU 320 N 1.00 0.07 0.45 -1.34 1.43 -1.26 -5.04 118.68 113.99 3i04 s LEU 320 Ca 0.67 1.00 0.31 0.00 -1.03 0.00 0.00 54.13 55.08 3i04 s LEU 320 Cb -0.41 1.74 1.49 0.00 0.03 0.00 0.00 46.19 49.04 3i04 s LEU 320 CO 0.32 -0.19 1.94 -0.65 0.23 0.00 0.00 176.35 178.00 3i04 h PRO 321 N 5.28 0.00 -6.21 1.29 0.11 -1.87 -3.43 132.00 127.17 3i04 h PRO 321 Ca -0.28 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.26 3i04 h PRO 321 Cb 1.17 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.17 3i04 h PRO 321 CO 0.19 0.00 -0.69 0.96 -0.21 0.00 0.00 178.00 178.25 3i04 s ILE 322 N -3.67 3.06 0.45 4.15 -5.25 -1.26 -4.62 121.20 114.06 3i04 s ILE 322 Ca -0.00 -2.11 -0.22 0.00 -0.99 0.00 0.00 60.65 57.33 3i04 s ILE 322 Cb 0.09 -2.63 -0.09 0.00 2.95 0.00 0.00 42.46 42.79 3i04 s ILE 322 CO 0.39 -0.38 1.02 0.20 -1.79 0.00 0.00 174.94 174.38 3i04 s ASN 323 N -3.60 6.59 -0.05 4.36 0.02 -1.26 -4.92 114.94 116.08 3i04 s ASN 323 Ca 0.31 1.91 0.00 0.00 -1.02 0.00 0.00 52.86 54.06 3i04 s ASN 323 Cb -0.06 -2.56 0.02 0.00 0.02 0.00 0.00 41.25 38.67 3i04 s ASN 323 CO 0.18 -0.61 -0.02 0.12 0.02 0.00 0.00 177.10 176.79 3i04 s PHE 324 N -1.92 0.69 0.00 2.20 5.36 -1.26 -1.93 117.98 121.12 3i04 s PHE 324 Ca 0.63 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 3i04 s PHE 324 Cb -0.17 -0.70 0.00 0.00 -0.34 0.00 0.00 43.02 41.81 3i04 s PHE 324 CO 0.21 -0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.14 3i04 n GLY 325 N 4.48 0.16 0.30 13.12 0.00 0.11 -4.30 105.19 119.06 3i04 n GLY 325 Ca -0.18 -1.06 0.19 0.00 0.00 0.00 0.00 46.02 44.97 3i04 n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i04 h PRO 326 N 0.00 0.00 -0.33 1.61 0.13 -1.83 -2.52 132.00 129.06 3i04 h PRO 326 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 3i04 h PRO 326 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3i04 h PRO 326 CO 0.00 0.02 0.37 0.00 -0.23 0.00 0.00 178.00 178.16 3i04 h ALA 327 N 1.98 2.00 -0.26 -0.56 0.00 -1.80 -2.73 119.26 117.89 3i04 h ALA 327 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 327 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i04 h ALA 327 CO 0.00 -0.54 0.00 1.19 0.00 0.00 0.00 179.25 179.91 3i04 n PHE 328 N -3.72 0.32 0.06 0.00 3.01 -0.95 -4.16 117.46 112.03 3i04 n PHE 328 Ca 0.05 -0.18 -0.04 0.00 1.01 0.00 0.00 57.45 58.29 3i04 n PHE 328 Cb 0.52 -0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.16 3i04 n PHE 328 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3i04 h GLU 329 N 4.05 0.35 -0.62 -1.08 4.81 -1.51 -3.31 114.58 117.27 3i04 h GLU 329 Ca 0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3i04 h GLU 329 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3i04 h GLU 329 CO 0.00 0.72 0.00 0.41 -0.73 0.00 0.00 179.01 179.41 3i04 n GLY 330 N -0.09 1.97 3.76 1.92 0.00 -1.26 -4.93 105.19 106.56 3i04 n GLY 330 Ca -0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 3i04 n GLY 330 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 331 N -1.79 3.30 -0.37 1.61 2.02 -1.25 -5.01 118.70 117.21 3i04 s GLU 331 Ca 0.36 2.09 -0.07 0.00 0.02 0.00 0.00 54.97 57.37 3i04 s GLU 331 Cb 0.23 -2.29 0.06 0.00 0.10 0.00 0.00 34.13 32.24 3i04 s GLU 331 CO 0.17 -1.01 0.17 -1.12 0.02 0.00 0.00 175.26 173.48 3i04 s SER 332 N -1.09 5.39 -0.30 -0.19 0.01 -1.26 -5.07 113.70 111.19 3i04 s SER 332 Ca 0.70 -1.40 -0.29 0.00 1.31 0.00 0.00 55.95 56.26 3i04 s SER 332 Cb -0.37 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3i04 s SER 332 CO 0.44 -0.43 1.31 -0.63 0.41 0.00 0.00 173.24 174.34 3i04 s ILE 333 N 1.36 4.12 0.70 1.44 -1.09 -1.26 -4.97 121.20 121.50 3i04 s ILE 333 Ca 0.01 1.26 -0.15 0.00 -2.23 0.00 0.00 60.65 59.54 3i04 s ILE 333 Cb -0.21 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.54 3i04 s ILE 333 CO 0.01 -0.49 1.17 -0.13 -1.23 0.00 0.00 174.94 174.28 3i04 s ARG 334 N 4.21 2.40 0.00 2.79 1.81 -1.26 -4.88 118.95 124.02 3i04 s ARG 334 Ca 0.57 1.63 0.00 0.00 -1.72 0.00 0.00 55.73 56.21 3i04 s ARG 334 Cb -0.17 -1.88 0.00 0.00 -0.45 0.00 0.00 34.95 32.46 3i04 s ARG 334 CO 0.24 -1.61 0.00 1.17 -0.68 0.00 0.00 175.30 174.42 3i04 n LYS 335 N -2.57 0.00 -0.03 3.54 4.81 -1.26 -0.68 118.16 121.97 3i04 n LYS 335 Ca 0.12 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.60 3i04 n LYS 335 Cb 0.51 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.61 3i04 n LYS 335 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i04 n GLY 336 N -0.10 0.37 0.00 3.14 0.00 -1.26 -4.74 105.19 102.60 3i04 n GLY 336 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3i04 n GLY 336 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i04 n ASP 337 N 0.31 0.00 -4.67 1.61 10.43 0.15 -4.65 116.55 119.73 3i04 n ASP 337 Ca 0.05 -0.33 -0.43 0.00 2.57 0.00 0.00 54.79 56.66 3i04 n ASP 337 Cb 0.23 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.17 3i04 n ASP 337 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i04 s MET 338 N -2.00 4.27 0.03 -1.24 0.23 -1.26 0.55 119.30 119.88 3i04 s MET 338 Ca 0.02 1.53 -0.27 0.00 -1.03 0.00 0.00 55.69 55.94 3i04 s MET 338 Cb 0.01 -3.67 -0.17 0.00 -1.53 0.00 0.00 34.83 29.47 3i04 s MET 338 CO 0.02 -0.61 1.31 -0.92 -2.03 0.00 0.00 175.02 172.79 3i04 h TYR 339 N 7.74 -0.62 -3.38 3.16 3.20 -0.20 -3.00 116.97 123.87 3i04 h TYR 339 Ca -0.25 -0.01 -0.41 0.00 3.14 0.00 0.00 58.73 61.20 3i04 h TYR 339 Cb 1.10 0.20 -0.36 0.00 1.54 0.00 0.00 36.73 39.22 3i04 h TYR 339 CO 0.77 -0.30 -0.76 0.14 -1.64 0.00 0.00 178.16 176.36 3i04 s VAL 340 N -5.06 0.39 -0.14 1.81 -7.23 -1.25 -1.78 120.40 107.15 3i04 s VAL 340 Ca -0.15 0.02 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 3i04 s VAL 340 Cb 0.02 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 3i04 s VAL 340 CO 0.53 0.22 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.76 3i04 s GLU 341 N 1.37 3.46 -0.38 4.82 -6.30 -1.25 -3.20 118.70 117.21 3i04 s GLU 341 Ca -0.04 -0.61 0.02 0.00 -2.50 0.00 0.00 54.97 51.83 3i04 s GLU 341 Cb -0.13 -2.74 0.15 0.00 0.00 0.00 0.00 34.13 31.41 3i04 s GLU 341 CO -0.02 0.25 0.26 0.00 0.02 0.00 0.00 175.26 175.77 3i04 s MET 342 N 0.28 0.74 0.00 4.30 0.23 -1.04 -2.71 119.30 121.10 3i04 s MET 342 Ca -0.07 -1.66 0.00 0.00 -1.03 0.00 0.00 55.69 52.93 3i04 s MET 342 Cb -0.15 -1.44 0.00 0.00 -1.53 0.00 0.00 34.83 31.71 3i04 s MET 342 CO 0.04 -1.27 0.00 0.41 -2.03 0.00 0.00 175.02 172.18 3i04 n GLY 343 N 3.59 -0.67 2.57 3.16 0.00 -1.26 -3.34 105.19 109.24 3i04 n GLY 343 Ca 0.18 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 3i04 n GLY 343 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 344 N -0.22 -0.53 7.00 -0.02 0.00 -0.96 -4.20 105.19 106.27 3i04 n GLY 344 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3i04 n GLY 344 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i04 n ASN 345 N -2.30 0.00 0.00 1.61 3.02 -1.26 -4.87 115.26 111.46 3i04 n ASN 345 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3i04 n ASN 345 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3i04 n ASN 345 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i04 n ARG 346 N 0.00 0.00 -3.74 3.52 3.00 -1.26 -3.09 116.66 115.09 3i04 n ARG 346 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.46 3i04 n ARG 346 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 3i04 n ARG 346 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3i04 s THR 347 N 0.00 3.64 -0.05 0.55 -4.23 -1.26 -5.04 115.64 109.25 3i04 s THR 347 Ca 0.00 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3i04 s THR 347 Cb 0.00 -3.23 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 3i04 s THR 347 CO 0.00 -0.40 0.17 -2.65 -0.54 0.00 0.00 174.62 171.20 3i04 n PRO 348 N 4.75 0.00 -4.25 3.99 -0.02 -1.18 -4.20 135.00 134.10 3i04 n PRO 348 Ca -0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.14 3i04 n PRO 348 Cb 0.43 -0.11 -0.08 0.00 -0.02 0.00 0.00 33.50 33.72 3i04 n PRO 348 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i04 s ALA 349 N 0.52 3.14 0.13 3.55 0.00 -1.26 -3.82 121.76 124.02 3i04 s ALA 349 Ca 0.09 -1.48 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 3i04 s ALA 349 Cb -0.10 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.18 3i04 s ALA 349 CO 0.04 0.41 0.44 -0.59 0.00 0.00 0.00 175.76 176.06 3i04 s PHE 350 N -1.91 -0.27 -0.11 0.00 -0.12 -0.21 -4.34 117.98 111.02 3i04 s PHE 350 Ca 0.28 -0.01 -0.07 0.00 -0.05 0.00 0.00 56.93 57.08 3i04 s PHE 350 Cb -0.08 0.31 0.04 0.00 -0.63 0.00 0.00 43.02 42.66 3i04 s PHE 350 CO 0.18 -0.72 0.27 -2.00 -0.05 0.00 0.00 175.22 172.90 3i04 s GLU 351 N -3.72 0.27 0.06 1.99 2.12 0.04 -1.74 118.70 117.72 3i04 s GLU 351 Ca 0.02 0.47 -0.27 0.00 0.36 0.00 0.00 54.97 55.56 3i04 s GLU 351 Cb 0.01 0.01 0.07 0.00 0.26 0.00 0.00 34.13 34.48 3i04 s GLU 351 CO -0.12 -0.10 0.65 -1.17 -0.54 0.00 0.00 175.26 173.98 3i04 s LEU 352 N 0.76 -0.59 -0.06 2.70 0.20 0.22 -4.11 118.68 117.79 3i04 s LEU 352 Ca -0.05 0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.11 3i04 s LEU 352 Cb -0.06 2.54 -0.00 0.00 -0.43 0.00 0.00 46.19 48.23 3i04 s LEU 352 CO -0.05 -0.80 -0.20 -0.69 -0.29 0.00 0.00 176.35 174.32 3i04 s VAL 353 N -2.66 1.72 -0.03 1.68 1.01 -1.26 -1.76 120.40 119.10 3i04 s VAL 353 Ca -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3i04 s VAL 353 Cb -0.01 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.92 3i04 s VAL 353 CO -0.03 0.49 -0.00 0.00 0.00 0.00 0.00 175.10 175.55 3i04 s ARG 354 N 0.11 0.33 -0.18 2.72 1.70 0.97 -4.87 118.95 119.73 3i04 s ARG 354 Ca -0.08 0.06 -0.23 0.00 -0.47 0.00 0.00 55.73 55.01 3i04 s ARG 354 Cb -0.14 -0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 33.73 3i04 s ARG 354 CO 0.04 -0.12 0.71 0.99 -1.08 0.00 0.00 175.30 175.84 3i04 s THR 355 N 0.97 4.97 0.36 4.99 2.01 -1.26 -1.46 115.64 126.22 3i04 s THR 355 Ca -0.10 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.31 3i04 s THR 355 Cb -0.13 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 3i04 s THR 355 CO -0.02 0.09 0.10 1.33 -0.69 0.00 0.00 174.62 175.43 3i04 n VAL 356 N 4.64 0.00 -2.45 3.82 0.24 -1.00 -4.93 118.33 118.64 3i04 n VAL 356 Ca 0.01 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.32 3i04 n VAL 356 Cb 0.49 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 3i04 n VAL 356 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i04 n SER 357 N -1.54 0.97 -0.37 -1.34 3.41 -1.26 -4.32 113.62 109.17 3i04 n SER 357 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3i04 n SER 357 Cb 0.52 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 3i04 n SER 357 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i04 n GLU 358 N 0.00 1.05 -1.12 4.33 2.13 -1.26 -3.39 120.64 122.38 3i04 n GLU 358 Ca 0.00 -0.05 -0.13 0.00 0.66 0.00 0.00 57.16 57.64 3i04 n GLU 358 Cb 0.00 -1.36 0.26 0.00 0.27 0.00 0.00 31.44 30.61 3i04 n GLU 358 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3i04 n SER 359 N -0.14 4.45 0.00 4.31 7.64 -1.26 -4.96 113.62 123.67 3i04 n SER 359 Ca 0.00 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.51 3i04 n SER 359 Cb 0.19 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 3i04 n SER 359 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3i04 n GLU 360 N -0.53 -1.86 -0.86 1.43 0.28 -1.22 -5.19 120.64 112.69 3i04 n GLU 360 Ca 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 3i04 n GLU 360 Cb 1.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.38 3i04 n GLU 360 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3i04 n ILE 361 N 7.19 -4.16 -4.45 3.84 5.41 -1.26 -4.77 119.36 121.16 3i04 n ILE 361 Ca 0.00 1.14 -0.34 0.00 1.00 0.00 0.00 62.75 64.56 3i04 n ILE 361 Cb 0.00 -2.46 -0.14 0.00 -0.71 0.00 0.00 39.64 36.33 3i04 n ILE 361 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3i04 s THR 362 N -0.97 3.22 -0.73 1.39 2.01 -1.26 -5.01 115.64 114.30 3i04 s THR 362 Ca 0.00 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 3i04 s THR 362 Cb 0.00 -2.40 -0.15 0.00 0.01 0.00 0.00 72.50 69.96 3i04 s THR 362 CO 0.00 0.49 2.43 -0.67 -0.69 0.00 0.00 174.62 176.18 3i04 n ASP 363 N 3.93 1.38 -2.47 3.53 2.03 -1.26 -2.24 116.55 121.45 3i04 n ASP 363 Ca -0.18 -0.73 -0.01 0.00 0.52 0.00 0.00 54.79 54.39 3i04 n ASP 363 Cb 0.52 -1.38 -0.01 0.00 -0.72 0.00 0.00 41.12 39.53 3i04 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i04 n GLY 364 N 6.28 -4.23 0.13 0.27 0.00 0.24 -4.91 105.19 102.97 3i04 n GLY 364 Ca 0.49 0.56 -0.24 0.00 0.00 0.00 0.00 46.02 46.83 3i04 n GLY 364 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i04 n LYS 365 N 0.74 0.63 -2.77 1.61 4.81 -0.95 -4.98 118.16 117.24 3i04 n LYS 365 Ca -0.07 0.30 -0.02 0.00 -0.87 0.00 0.00 58.31 57.65 3i04 n LYS 365 Cb 0.11 -1.59 -0.02 0.00 0.02 0.00 0.00 35.03 33.56 3i04 n LYS 365 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3i04 n ILE 366 N -3.93 -6.08 -3.74 3.15 -6.64 -1.17 -4.95 119.36 96.00 3i04 n ILE 366 Ca -0.44 1.23 -0.13 0.00 -1.77 0.00 0.00 62.75 61.64 3i04 n ILE 366 Cb 0.89 -4.13 -0.11 0.00 -1.44 0.00 0.00 39.64 34.86 3i04 n ILE 366 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3i04 s GLU 367 N -0.28 0.40 -0.14 6.28 1.03 -1.06 -5.05 118.70 119.88 3i04 s GLU 367 Ca -0.11 0.55 -0.06 0.00 0.03 0.00 0.00 54.97 55.38 3i04 s GLU 367 Cb 0.01 0.15 -0.04 0.00 -0.80 0.00 0.00 34.13 33.45 3i04 s GLU 367 CO 0.29 -0.07 0.06 0.08 -1.33 0.00 0.00 175.26 174.28 3i04 s VAL 368 N 0.45 4.75 -0.57 1.83 1.01 -1.26 -2.45 120.40 124.17 3i04 s VAL 368 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3i04 s VAL 368 Cb -0.04 -3.09 0.16 0.00 0.00 0.00 0.00 36.38 33.41 3i04 s VAL 368 CO -0.02 0.53 0.38 -0.51 0.00 0.00 0.00 175.10 175.48 3i04 s ILE 369 N -0.22 2.05 0.00 2.22 1.10 -0.35 -4.97 121.20 121.02 3i04 s ILE 369 Ca 0.08 -3.47 0.00 0.00 -0.51 0.00 0.00 60.65 56.74 3i04 s ILE 369 Cb -0.12 -2.38 0.00 0.00 0.15 0.00 0.00 42.46 40.11 3i04 s ILE 369 CO 0.01 -1.00 0.00 0.61 -2.11 0.00 0.00 174.94 172.46 3i04 n GLY 370 N 2.63 0.97 3.84 1.50 0.00 -1.26 -3.57 105.19 109.30 3i04 n GLY 370 Ca 0.17 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3i04 n GLY 370 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i04 s PRO 371 N 1.68 3.38 0.00 1.61 0.02 -1.26 -4.94 135.00 135.49 3i04 s PRO 371 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 61.00 61.90 3i04 s PRO 371 Cb 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3i04 s PRO 371 CO 0.00 -0.74 0.00 -3.47 -0.33 0.00 0.00 177.00 172.46 3i04 n ASP 372 N -2.71 0.00 0.10 2.53 -0.08 -1.26 -4.76 116.55 110.37 3i04 n ASP 372 Ca 0.07 -0.41 0.02 0.00 -1.51 0.00 0.00 54.79 52.96 3i04 n ASP 372 Cb 0.54 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.98 3i04 n ASP 372 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3i04 h ILE 373 N -0.39 0.65 0.04 5.18 2.10 -1.92 -3.33 117.51 119.85 3i04 h ILE 373 Ca 0.00 -2.03 -0.26 0.00 1.08 0.00 0.00 64.86 63.64 3i04 h ILE 373 Cb 0.00 2.21 0.02 0.00 -1.09 0.00 0.00 36.82 37.96 3i04 h ILE 373 CO 0.00 0.37 -1.08 -2.24 -1.08 0.00 0.00 178.15 174.12 3i04 h ASP 374 N 0.00 0.76 0.40 2.19 -0.00 -1.94 -3.26 116.42 114.56 3i04 h ASP 374 Ca -0.06 -0.64 0.00 0.00 -0.00 0.00 0.00 57.03 56.32 3i04 h ASP 374 Cb 1.43 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 3i04 h ASP 374 CO 0.05 1.45 0.00 0.00 -0.00 0.00 0.00 179.24 180.74 3i04 n GLN 375 N -3.78 0.07 -4.28 4.15 6.02 -1.25 -4.72 117.38 113.58 3i04 n GLN 375 Ca -0.10 0.39 -0.26 0.00 -0.01 0.00 0.00 57.00 57.02 3i04 n GLN 375 Cb 0.91 -1.65 -0.08 0.00 1.02 0.00 0.00 30.24 30.43 3i04 n GLN 375 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3i04 s ILE 376 N -3.15 3.34 1.13 5.09 -4.36 -1.23 -4.93 121.20 117.09 3i04 s ILE 376 Ca 0.04 -1.71 -0.14 0.00 -0.26 0.00 0.00 60.65 58.57 3i04 s ILE 376 Cb 0.07 -2.70 0.26 0.00 1.25 0.00 0.00 42.46 41.34 3i04 s ILE 376 CO 0.23 -0.19 1.05 -2.84 0.24 0.00 0.00 174.94 173.43 3i04 s PRO 377 N -3.11 -0.65 0.32 0.37 0.02 -1.26 -4.95 135.00 125.73 3i04 s PRO 377 Ca 0.27 0.52 0.08 0.00 0.02 0.00 0.00 61.00 61.89 3i04 s PRO 377 Cb -0.08 -1.61 -0.03 0.00 0.02 0.00 0.00 34.50 32.80 3i04 s PRO 377 CO 0.17 -3.46 0.21 -1.83 -0.33 0.00 0.00 177.00 171.76 3i04 s GLU 378 N -4.81 2.63 0.00 5.54 4.04 -1.26 -4.78 118.70 120.06 3i04 s GLU 378 Ca 0.68 -1.33 0.00 0.00 0.04 0.00 0.00 54.97 54.35 3i04 s GLU 378 Cb -0.20 -2.39 0.00 0.00 0.02 0.00 0.00 34.13 31.57 3i04 s GLU 378 CO 0.60 0.17 0.00 0.41 -1.84 0.00 0.00 175.26 174.61 3i04 n GLY 379 N -1.24 2.97 0.00 -3.83 0.00 -0.73 -4.96 105.19 97.40 3i04 n GLY 379 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3i04 n GLY 379 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i04 n SER 380 N 0.00 0.08 -4.46 1.61 3.41 -1.26 -4.92 113.62 108.09 3i04 n SER 380 Ca 0.00 -0.84 -0.33 0.00 -0.26 0.00 0.00 58.87 57.44 3i04 n SER 380 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3i04 n SER 380 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i04 s LYS 381 N -1.21 2.64 0.44 4.33 1.02 -1.26 -3.87 119.74 121.83 3i04 s LYS 381 Ca 0.00 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 55.35 3i04 s LYS 381 Cb 0.00 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 3i04 s LYS 381 CO 0.00 0.56 0.06 -0.51 -0.92 0.00 0.00 175.35 174.54 3i04 s LEU 382 N -0.56 2.77 0.02 3.17 1.02 -1.10 -4.97 118.68 119.02 3i04 s LEU 382 Ca 0.08 -1.38 0.01 0.00 0.02 0.00 0.00 54.13 52.86 3i04 s LEU 382 Cb -0.11 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 3i04 s LEU 382 CO 0.01 -0.61 0.07 -2.16 0.02 0.00 0.00 176.35 173.68 3i04 s PRO 383 N -3.83 2.96 0.03 1.29 0.05 -1.26 -4.17 135.00 130.07 3i04 s PRO 383 Ca 0.29 -0.57 -0.07 0.00 0.05 0.00 0.00 61.00 60.69 3i04 s PRO 383 Cb 0.06 -2.78 -0.00 0.00 0.05 0.00 0.00 34.50 31.82 3i04 s PRO 383 CO 0.15 0.62 0.14 -1.17 0.05 0.00 0.00 177.00 176.79 3i04 s LEU 384 N -1.90 1.59 -0.09 -3.56 2.96 -1.25 -3.71 118.68 112.73 3i04 s LEU 384 Ca 0.24 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 3i04 s LEU 384 Cb -0.12 0.76 0.03 0.00 0.50 0.00 0.00 46.19 47.36 3i04 s LEU 384 CO 0.16 -0.51 0.23 -0.83 -1.32 0.00 0.00 176.35 174.07 3i04 s GLY 385 N -2.02 -0.14 -0.23 7.98 0.00 -1.10 -1.05 107.32 110.76 3i04 s GLY 385 Ca -0.06 0.79 -0.06 0.00 0.00 0.00 0.00 44.72 45.39 3i04 s GLY 385 CO -0.04 0.89 0.04 -0.42 0.00 0.00 0.00 173.10 173.57 3i04 s ILE 386 N 0.70 4.16 -0.13 0.90 -1.09 -0.71 -2.58 121.20 122.45 3i04 s ILE 386 Ca -0.05 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 3i04 s ILE 386 Cb -0.06 -2.92 0.02 0.00 -1.58 0.00 0.00 42.46 37.91 3i04 s ILE 386 CO -0.04 0.38 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.67 3i04 s LEU 387 N 1.35 1.75 -0.11 2.97 2.96 -1.12 0.72 118.68 127.21 3i04 s LEU 387 Ca 0.05 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3i04 s LEU 387 Cb -0.15 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.38 3i04 s LEU 387 CO 0.02 -0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.16 3i04 s VAL 388 N 1.18 1.83 -0.24 1.68 1.01 -0.72 -2.39 120.40 122.75 3i04 s VAL 388 Ca -0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 3i04 s VAL 388 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3i04 s VAL 388 CO -0.06 0.51 0.12 -1.81 0.00 0.00 0.00 175.10 173.87 3i04 s ASP 389 N 0.69 5.77 0.02 3.32 1.01 0.21 -0.02 116.67 127.66 3i04 s ASP 389 Ca -0.12 0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.20 3i04 s ASP 389 Cb -0.16 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3i04 s ASP 389 CO 0.02 0.04 -0.14 -0.63 0.21 0.00 0.00 175.17 174.68 3i04 s ILE 390 N 1.18 3.11 -0.15 0.77 -1.09 -0.53 0.11 121.20 124.59 3i04 s ILE 390 Ca 0.06 -0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 57.35 3i04 s ILE 390 Cb -0.14 -2.31 0.04 0.00 -1.58 0.00 0.00 42.46 38.47 3i04 s ILE 390 CO 0.05 0.39 0.42 -0.47 -1.23 0.00 0.00 174.94 174.10 3i04 s TYR 391 N -0.92 -0.45 -0.06 3.97 5.04 -0.21 -2.39 117.35 122.33 3i04 s TYR 391 Ca 0.15 1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 55.67 3i04 s TYR 391 Cb -0.11 0.16 0.07 0.00 0.35 0.00 0.00 41.96 42.43 3i04 s TYR 391 CO 0.05 -0.23 0.94 0.41 -1.34 0.00 0.00 175.55 175.38 3i04 n GLY 392 N 2.79 0.21 0.28 8.97 0.00 -1.25 -1.21 105.19 114.98 3i04 n GLY 392 Ca -0.13 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 44.96 3i04 n GLY 392 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i04 h ARG 393 N 0.00 0.58 0.00 1.61 0.11 -1.87 -3.43 114.38 111.38 3i04 h ARG 393 Ca -0.13 -0.03 -0.67 0.00 0.10 0.00 0.00 59.98 59.24 3i04 h ARG 393 Cb 0.81 -0.13 -0.13 0.00 1.11 0.00 0.00 29.97 31.63 3i04 h ARG 393 CO 0.20 0.38 -0.49 1.17 0.10 0.00 0.00 179.97 181.34 3i04 n LYS 394 N -4.87 0.75 0.00 0.08 4.81 -1.26 -5.12 118.16 112.54 3i04 n LYS 394 Ca 0.13 -3.74 0.00 0.00 -0.87 0.00 0.00 58.31 53.82 3i04 n LYS 394 Cb 0.32 1.03 0.00 0.00 0.02 0.00 0.00 35.03 36.40 3i04 n LYS 394 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3i04 n MET 395 N -1.27 0.00 0.00 1.64 2.81 -1.26 -4.85 117.12 114.19 3i04 n MET 395 Ca -0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 3i04 n MET 395 Cb 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.16 3i04 n MET 395 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3i04 n GLN 396 N 0.00 0.00 -0.04 0.03 0.00 -1.23 -4.51 117.38 111.62 3i04 n GLN 396 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.01 3i04 n GLN 396 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.26 3i04 n GLN 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i04 n ALA 397 N 2.04 0.04 0.19 1.69 0.00 -1.26 0.80 120.51 124.01 3i04 n ALA 397 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3i04 n ALA 397 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 3i04 n ALA 397 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i04 h ASP 398 N 0.00 -0.36 -3.45 0.00 3.45 -2.03 -3.31 116.42 110.73 3i04 h ASP 398 Ca 0.06 -0.01 -0.70 0.00 0.43 0.00 0.00 57.03 56.81 3i04 h ASP 398 Cb 0.11 0.09 -0.20 0.00 -0.56 0.00 0.00 39.33 38.77 3i04 h ASP 398 CO -0.11 -0.23 -0.23 0.72 -1.57 0.00 0.00 179.24 177.82 3i04 s PHE 399 N -5.99 3.18 0.00 4.55 -0.00 0.24 -3.94 117.98 116.01 3i04 s PHE 399 Ca -0.15 -0.54 0.00 0.00 -0.00 0.00 0.00 56.93 56.24 3i04 s PHE 399 Cb 0.05 -2.99 0.00 0.00 -0.00 0.00 0.00 43.02 40.07 3i04 s PHE 399 CO 0.64 -0.75 0.00 -1.91 -0.00 0.00 0.00 175.22 173.19 3i04 n GLU 400 N 5.54 0.00 -0.16 1.99 2.13 -1.25 -3.57 120.64 125.32 3i04 n GLU 400 Ca -0.09 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.81 3i04 n GLU 400 Cb 0.46 0.00 0.24 0.00 0.27 0.00 0.00 31.44 32.41 3i04 n GLU 400 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i04 n GLY 401 N -0.70 0.73 0.12 8.31 0.00 -1.25 -3.38 105.19 109.01 3i04 n GLY 401 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 3i04 n GLY 401 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i04 h VAL 402 N 2.40 0.79 0.00 1.61 2.07 -1.88 -3.15 116.25 118.09 3i04 h VAL 402 Ca 0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3i04 h VAL 402 Cb 0.54 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3i04 h VAL 402 CO 0.00 0.55 0.07 -0.07 0.02 0.00 0.00 177.57 178.14 3i04 h LEU 403 N -0.56 0.00 0.17 2.57 4.07 -1.92 -1.77 115.31 117.87 3i04 h LEU 403 Ca -0.38 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.33 3i04 h LEU 403 Cb 1.61 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.37 3i04 h LEU 403 CO -0.09 0.00 -1.12 -0.08 -1.08 0.00 0.00 178.44 176.07 3i04 h GLU 404 N 0.00 0.36 -0.99 1.13 4.81 -1.65 -3.36 114.58 114.89 3i04 h GLU 404 Ca 0.00 -0.62 0.10 0.00 -0.13 0.00 0.00 59.36 58.71 3i04 h GLU 404 Cb 0.15 0.23 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 3i04 h GLU 404 CO 0.00 1.30 0.62 -0.09 -0.73 0.00 0.00 179.01 180.11 3i04 h ARG 405 N -0.20 1.00 -0.05 1.92 2.43 -1.27 -1.82 114.38 116.39 3i04 h ARG 405 Ca -0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3i04 h ARG 405 Cb 1.82 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 3i04 h ARG 405 CO 0.17 0.66 0.00 0.54 -1.51 0.00 0.00 179.97 179.84 3i04 n ARG 406 N -4.59 1.09 -0.09 0.20 5.12 -1.19 -3.07 116.66 114.14 3i04 n ARG 406 Ca 0.17 -0.14 -0.14 0.00 -1.93 0.00 0.00 57.85 55.81 3i04 n ARG 406 Cb 0.29 -1.04 -0.05 0.00 -1.16 0.00 0.00 32.46 30.51 3i04 n ARG 406 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3i04 h ILE 407 N 0.23 1.30 -0.92 0.55 2.04 -1.48 -0.36 117.51 118.87 3i04 h ILE 407 Ca 0.00 -1.54 0.19 0.00 1.00 0.00 0.00 64.86 64.51 3i04 h ILE 407 Cb 0.06 1.64 -0.11 0.00 -0.74 0.00 0.00 36.82 37.67 3i04 h ILE 407 CO 0.00 0.49 0.49 -0.74 0.00 0.00 0.00 178.15 178.39 3i04 h HIS 408 N 0.46 0.84 0.18 1.37 2.76 -1.74 -1.29 115.15 117.74 3i04 h HIS 408 Ca 0.03 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3i04 h HIS 408 Cb 0.94 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.67 3i04 h HIS 408 CO 0.08 0.11 -0.08 -0.44 -1.30 0.00 0.00 177.93 176.29 3i04 h ASP 409 N 0.59 -0.20 -1.01 3.26 3.32 -1.75 -3.14 116.42 117.48 3i04 h ASP 409 Ca 0.54 -0.21 0.24 0.00 0.02 0.00 0.00 57.03 57.63 3i04 h ASP 409 Cb 0.91 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.41 3i04 h ASP 409 CO -0.43 0.34 0.64 -0.26 -1.72 0.00 0.00 179.24 177.81 3i04 h PHE 410 N -1.00 0.78 0.01 4.55 0.04 -0.79 -2.27 116.94 118.26 3i04 h PHE 410 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3i04 h PHE 410 Cb 0.40 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3i04 h PHE 410 CO 0.05 0.10 -0.15 0.82 -0.60 0.00 0.00 178.31 178.53 3i04 h ILE 411 N 0.49 1.62 -0.65 -0.55 2.04 -1.40 -3.32 117.51 115.75 3i04 h ILE 411 Ca 0.59 -2.03 0.19 0.00 1.00 0.00 0.00 64.86 64.61 3i04 h ILE 411 Cb 1.32 2.95 -0.03 0.00 -0.74 0.00 0.00 36.82 40.33 3i04 h ILE 411 CO -0.33 0.54 0.52 0.78 0.00 0.00 0.00 178.15 179.66 3i04 h ASN 412 N -0.68 0.00 0.21 1.72 2.35 -1.36 -1.68 115.58 116.14 3i04 h ASN 412 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3i04 h ASN 412 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3i04 h ASN 412 CO 0.03 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.59 3i04 n TYR 413 N -4.11 0.15 -3.18 1.19 0.53 -1.10 -3.47 117.16 107.17 3i04 n TYR 413 Ca 0.13 0.07 -0.39 0.00 -1.02 0.00 0.00 57.90 56.69 3i04 n TYR 413 Cb 0.77 -0.62 -0.05 0.00 -1.03 0.00 0.00 39.34 38.41 3i04 n TYR 413 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 3i04 s GLY 414 N -3.11 2.57 -0.08 2.72 0.00 -0.63 -0.71 107.32 108.07 3i04 s GLY 414 Ca 0.02 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 3i04 s GLY 414 CO 0.14 0.88 1.67 1.85 0.00 0.00 0.00 173.10 177.63 3i04 s GLU 415 N 0.26 4.10 0.00 2.90 2.12 -0.81 -1.79 118.70 125.47 3i04 s GLU 415 Ca 0.32 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.77 3i04 s GLU 415 Cb -0.17 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.21 3i04 s GLU 415 CO 0.16 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 3i04 n GLY 416 N 4.26 0.72 3.78 -1.50 0.00 -1.26 -4.79 105.19 106.40 3i04 n GLY 416 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3i04 n GLY 416 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i04 s LEU 417 N 0.00 3.93 -0.01 0.99 1.43 -0.74 -1.08 118.68 123.21 3i04 s LEU 417 Ca 0.00 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3i04 s LEU 417 Cb 0.00 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 3i04 s LEU 417 CO 0.00 0.33 0.03 0.86 0.23 0.00 0.00 176.35 177.80 3i04 s TRP 418 N -1.07 0.03 -0.11 0.29 -0.00 -0.94 -4.66 118.94 112.49 3i04 s TRP 418 Ca 0.18 -0.06 -0.10 0.00 -0.00 0.00 0.00 56.10 56.12 3i04 s TRP 418 Cb -0.12 -0.04 0.03 0.00 -0.00 0.00 0.00 33.47 33.34 3i04 s TRP 418 CO 0.08 -0.08 0.29 -1.58 -0.00 0.00 0.00 176.95 175.66 3i04 s HIS 419 N -0.43 -0.32 -0.03 5.86 5.65 -1.25 -2.92 115.29 121.86 3i04 s HIS 419 Ca -0.05 0.78 -0.11 0.00 0.25 0.00 0.00 55.06 55.93 3i04 s HIS 419 Cb -0.03 0.11 0.02 0.00 -1.18 0.00 0.00 32.58 31.49 3i04 s HIS 419 CO -0.00 -0.16 0.25 0.95 -0.65 0.00 0.00 174.74 175.13 3i04 s THR 420 N 0.20 0.05 0.00 0.89 -4.23 -1.21 -4.99 115.64 106.34 3i04 s THR 420 Ca -0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3i04 s THR 420 Cb -0.02 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.32 3i04 s THR 420 CO -0.00 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 3i04 n GLY 421 N 1.76 -1.89 3.63 3.99 0.00 -1.26 -3.20 105.19 108.23 3i04 n GLY 421 Ca -0.20 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 3i04 n GLY 421 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i04 s GLN 422 N 0.00 0.23 2.34 1.61 0.00 -0.68 -4.88 119.66 118.28 3i04 s GLN 422 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 55.36 55.52 3i04 s GLN 422 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 33.01 33.12 3i04 s GLN 422 CO 0.00 -0.05 0.00 0.54 0.00 0.00 0.00 175.29 175.78 3i04 n ARG 423 N 1.25 0.00 -2.28 9.60 3.00 -1.26 -3.29 116.66 123.67 3i04 n ARG 423 Ca -0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.57 3i04 n ARG 423 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.06 3i04 n ARG 423 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i04 n ASN 424 N 4.70 4.06 -3.49 0.55 5.03 -1.26 -0.78 115.26 124.07 3i04 n ASN 424 Ca 0.00 -3.35 -0.14 0.00 0.87 0.00 0.00 54.58 51.96 3i04 n ASN 424 Cb 0.00 -0.40 -0.04 0.00 -1.02 0.00 0.00 39.78 38.32 3i04 n ASN 424 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3i04 s ILE 425 N -4.51 0.00 0.00 2.41 -5.25 -1.21 -4.93 121.20 107.71 3i04 s ILE 425 Ca 0.45 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 60.11 3i04 s ILE 425 Cb 0.39 -1.00 0.00 0.00 2.95 0.00 0.00 42.46 44.80 3i04 s ILE 425 CO -0.01 0.00 0.00 -0.46 -1.79 0.00 0.00 174.94 172.68 3i04 n ASN 426 N 0.31 0.00 0.00 4.36 0.23 -1.25 -1.68 115.26 117.23 3i04 n ASN 426 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 3i04 n ASN 426 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 3i04 n ASN 426 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 3i04 n TRP 427 N 0.00 0.00 -2.83 -2.53 -0.00 -1.19 -2.26 117.44 108.62 3i04 n TRP 427 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.29 3i04 n TRP 427 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 31.39 3i04 n TRP 427 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3i04 s LEU 428 N 0.00 3.08 -0.29 5.87 2.01 -1.21 -3.34 118.68 124.80 3i04 s LEU 428 Ca 0.00 -0.60 -0.26 0.00 0.01 0.00 0.00 54.13 53.29 3i04 s LEU 428 Cb 0.00 -1.87 0.19 0.00 0.01 0.00 0.00 46.19 44.52 3i04 s LEU 428 CO 0.00 -1.53 1.41 -0.13 1.01 0.00 0.00 176.35 177.11 3i04 s ARG 429 N -4.86 0.08 -0.04 1.70 0.52 -1.15 -2.50 118.95 112.70 3i04 s ARG 429 Ca 0.63 0.09 0.05 0.00 -0.52 0.00 0.00 55.73 55.99 3i04 s ARG 429 Cb -0.06 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 3i04 s ARG 429 CO 0.41 -0.01 -0.21 0.08 0.02 0.00 0.00 175.30 175.59 3i04 s VAL 430 N -0.10 1.73 1.14 3.52 1.01 -1.20 -2.20 120.40 124.30 3i04 s VAL 430 Ca 0.07 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 3i04 s VAL 430 Cb -0.04 -1.47 0.26 0.00 0.00 0.00 0.00 36.38 35.13 3i04 s VAL 430 CO -0.14 0.49 1.05 -0.94 0.00 0.00 0.00 175.10 175.56 3i04 s SER 431 N -0.13 1.34 0.27 3.32 1.04 -0.24 0.38 113.70 119.67 3i04 s SER 431 Ca -0.02 1.18 0.16 0.00 0.48 0.00 0.00 55.95 57.75 3i04 s SER 431 Cb -0.12 -1.81 0.07 0.00 0.10 0.00 0.00 66.02 64.25 3i04 s SER 431 CO 0.02 -3.93 1.37 0.07 0.98 0.00 0.00 173.24 171.75 3i04 h LYS 432 N -2.44 0.00 0.00 4.02 2.10 -0.22 -3.03 116.57 117.01 3i04 h LYS 432 Ca -0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 3i04 h LYS 432 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3i04 h LYS 432 CO 0.50 0.40 0.00 -3.47 -2.00 0.00 0.00 179.45 174.88 3i04 n ASP 433 N -3.15 0.50 0.07 7.07 -0.08 -1.26 -3.76 116.55 115.94 3i04 n ASP 433 Ca 0.01 0.56 -0.23 0.00 -1.51 0.00 0.00 54.79 53.62 3i04 n ASP 433 Cb 0.72 -0.69 -0.15 0.00 2.34 0.00 0.00 41.12 43.34 3i04 n ASP 433 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i04 h ALA 434 N 2.62 0.04 0.05 -1.67 0.00 -1.87 -3.32 119.26 115.12 3i04 h ALA 434 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 54.91 53.65 3i04 h ALA 434 Cb 0.58 0.34 0.02 0.00 0.00 0.00 0.00 17.79 18.74 3i04 h ALA 434 CO 0.00 0.80 -1.04 0.28 0.00 0.00 0.00 179.25 179.29 3i04 h VAL 435 N -0.04 1.31 0.00 0.00 2.07 -1.73 -2.84 116.25 115.02 3i04 h VAL 435 Ca -0.29 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 64.92 3i04 h VAL 435 Cb 1.98 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 3i04 h VAL 435 CO 0.17 0.70 0.00 0.00 0.02 0.00 0.00 177.57 178.46 3i04 n ALA 436 N -2.65 1.83 0.00 1.67 0.00 -1.25 -0.09 120.51 120.02 3i04 n ALA 436 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i04 n ALA 436 Cb 0.89 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3i04 n ALA 436 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i04 n LYS 437 N 0.97 4.34 0.00 0.00 5.02 -1.08 -4.97 118.16 122.43 3i04 n LYS 437 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i04 n LYS 437 Cb 0.14 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3i04 n LYS 437 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i04 n GLY 438 N 0.64 0.31 3.72 0.72 0.00 0.87 -4.80 105.19 106.65 3i04 n GLY 438 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i04 n GLY 438 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i04 s PHE 439 N -0.92 3.05 0.11 1.61 5.36 -1.18 -4.82 117.98 121.20 3i04 s PHE 439 Ca 0.00 0.65 0.04 0.00 -0.96 0.00 0.00 56.93 56.66 3i04 s PHE 439 Cb 0.00 -3.93 -0.04 0.00 -0.34 0.00 0.00 43.02 38.71 3i04 s PHE 439 CO 0.00 -3.40 -0.11 1.03 -1.46 0.00 0.00 175.22 171.28 3i04 s ARG 440 N 1.02 0.93 0.44 10.12 3.00 -1.26 -4.60 118.95 128.60 3i04 s ARG 440 Ca 0.69 -1.24 0.18 0.00 0.00 0.00 0.00 55.73 55.36 3i04 s ARG 440 Cb -0.44 -0.62 0.97 0.00 0.00 0.00 0.00 34.95 34.86 3i04 s ARG 440 CO 0.32 0.10 1.48 0.74 0.00 0.00 0.00 175.30 177.94 3i04 h PHE 441 N 3.36 0.00 0.00 -0.53 0.05 -1.94 0.19 116.94 118.07 3i04 h PHE 441 Ca -0.38 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.41 3i04 h PHE 441 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.14 3i04 h PHE 441 CO 0.64 0.00 0.00 1.57 -0.18 0.00 0.00 178.31 180.34 3i04 h LYS 442 N 0.00 0.00 -0.22 1.51 -0.00 -1.96 -2.99 116.57 112.90 3i04 h LYS 442 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.51 3i04 h LYS 442 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.88 3i04 h LYS 442 CO 0.00 0.00 -0.45 -0.91 -0.00 0.00 0.00 179.45 178.09 3i04 h ASN 443 N 0.00 0.60 -1.04 7.07 4.21 -1.03 -2.66 115.58 122.73 3i04 h ASN 443 Ca 0.00 -0.28 0.27 0.00 1.21 0.00 0.00 56.30 57.49 3i04 h ASN 443 Cb 0.59 -0.17 -0.10 0.00 -1.12 0.00 0.00 38.32 37.53 3i04 h ASN 443 CO 0.00 0.97 0.67 1.88 -1.29 0.00 0.00 177.43 179.66 3i04 h TYR 444 N 0.45 0.68 0.02 1.19 0.05 -1.67 -0.17 116.97 117.52 3i04 h TYR 444 Ca 0.03 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 3i04 h TYR 444 Cb 0.96 -0.20 0.01 0.00 1.01 0.00 0.00 36.73 38.51 3i04 h TYR 444 CO 0.04 0.06 -0.21 0.78 -1.05 0.00 0.00 178.16 177.77 3i04 h GLY 445 N 0.40 0.13 0.11 3.88 0.00 -1.63 -2.49 103.07 103.46 3i04 h GLY 445 Ca 0.60 -0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.83 3i04 h GLY 445 CO -0.31 0.23 0.38 0.83 0.00 0.00 0.00 176.54 177.67 3i04 h GLU 446 N -0.67 0.50 0.12 4.80 5.08 -1.11 -0.21 114.58 123.09 3i04 h GLU 446 Ca -0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3i04 h GLU 446 Cb 1.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3i04 h GLU 446 CO 0.04 0.33 -0.06 0.82 -1.00 0.00 0.00 179.01 179.14 3i04 h ILE 447 N 0.51 0.88 0.00 3.13 2.04 -1.07 -3.27 117.51 119.73 3i04 h ILE 447 Ca 0.46 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 66.18 3i04 h ILE 447 Cb 0.73 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3i04 h ILE 447 CO -0.41 0.00 -0.65 -0.07 0.00 0.00 0.00 178.15 177.02 3i04 h LEU 448 N -0.17 0.00 0.00 1.44 3.38 -0.94 -3.11 115.31 115.91 3i04 h LEU 448 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i04 h LEU 448 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i04 h LEU 448 CO 0.03 0.65 0.00 0.52 0.09 0.00 0.00 178.44 179.73 3i04 n VAL 449 N -3.59 0.00 0.22 1.22 0.31 -0.14 -2.14 118.33 114.20 3i04 n VAL 449 Ca -0.00 0.95 0.06 0.00 -0.01 0.00 0.00 64.34 65.34 3i04 n VAL 449 Cb 0.68 -1.79 0.49 0.00 -0.91 0.00 0.00 33.84 32.31 3i04 n VAL 449 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i04 h ALA 450 N -2.03 1.39 -0.09 3.52 0.00 -1.72 -2.05 119.26 118.28 3i04 h ALA 450 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3i04 h ALA 450 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i04 h ALA 450 CO 0.00 0.33 -0.37 0.87 0.00 0.00 0.00 179.25 180.08 3i04 h LYS 451 N 0.00 0.18 -0.11 0.00 1.57 -1.63 0.84 116.57 117.42 3i04 h LYS 451 Ca -0.00 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.47 3i04 h LYS 451 Cb 0.52 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.84 3i04 h LYS 451 CO 0.03 0.53 -0.84 0.52 -0.57 0.00 0.00 179.45 179.13 3i04 h MET 452 N 0.15 0.74 -0.51 3.15 2.86 -0.89 0.21 114.93 120.65 3i04 h MET 452 Ca 0.02 -0.64 -0.00 0.00 -2.06 0.00 0.00 59.70 57.01 3i04 h MET 452 Cb 0.73 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3i04 h MET 452 CO 0.05 1.25 0.31 0.87 1.06 0.00 0.00 176.91 180.45 3i04 h LYS 453 N 0.48 0.68 0.11 1.72 1.57 -1.02 -2.00 116.57 118.12 3i04 h LYS 453 Ca -0.07 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.34 3i04 h LYS 453 Cb 1.47 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 3i04 h LYS 453 CO 0.17 0.49 -1.60 1.49 -0.57 0.00 0.00 179.45 179.42 3i04 h GLU 454 N 0.68 0.23 -0.21 3.15 4.22 0.67 -3.28 114.58 120.03 3i04 h GLU 454 Ca 0.18 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 59.23 3i04 h GLU 454 Cb -0.03 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3i04 h GLU 454 CO -0.04 1.07 0.00 0.39 -2.18 0.00 0.00 179.01 178.25 3i04 n GLU 455 N -3.42 2.62 -2.70 1.92 1.02 0.06 -4.27 120.64 115.88 3i04 n GLU 455 Ca -0.18 -2.60 -0.06 0.00 -0.02 0.00 0.00 57.16 54.30 3i04 n GLU 455 Cb 1.04 -1.65 0.08 0.00 -0.02 0.00 0.00 31.44 30.90 3i04 n GLU 455 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i04 n PHE 456 N -0.52 -0.83 -2.18 -0.32 3.01 -0.75 -4.94 117.46 110.93 3i04 n PHE 456 Ca 0.18 -2.21 -0.26 0.00 1.01 0.00 0.00 57.45 56.16 3i04 n PHE 456 Cb 0.74 0.75 0.08 0.00 -0.01 0.00 0.00 39.48 41.04 3i04 n PHE 456 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3i04 s PRO 457 N -1.33 2.01 0.00 -1.08 0.04 -1.24 -3.17 135.00 130.23 3i04 s PRO 457 Ca 0.23 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.96 3i04 s PRO 457 Cb 0.42 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.82 3i04 s PRO 457 CO -0.05 -1.38 0.00 0.00 0.04 0.00 0.00 177.00 175.62 3i04 n ALA 458 N -3.01 0.00 -0.00 8.56 0.00 -1.26 -4.72 120.51 120.07 3i04 n ALA 458 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 3i04 n ALA 458 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3i04 n ALA 458 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3i04 n ILE 459 N -1.55 0.05 -3.46 0.00 -5.35 -1.24 -4.78 119.36 103.02 3i04 n ILE 459 Ca 0.00 -0.09 -0.43 0.00 -0.27 0.00 0.00 62.75 61.96 3i04 n ILE 459 Cb 0.00 0.15 -0.08 0.00 -1.74 0.00 0.00 39.64 37.97 3i04 n ILE 459 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3i04 s VAL 460 N -2.21 4.90 0.00 7.28 -7.23 -1.19 -3.90 120.40 118.05 3i04 s VAL 460 Ca -0.01 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 58.86 3i04 s VAL 460 Cb 0.02 -3.94 -0.34 0.00 0.56 0.00 0.00 36.38 32.68 3i04 s VAL 460 CO 0.15 -0.54 0.89 0.44 -0.31 0.00 0.00 175.10 175.72 3i04 h ASP 461 N 8.63 0.78 -5.14 4.85 3.45 -1.67 -3.46 116.42 123.86 3i04 h ASP 461 Ca -0.27 -0.93 -0.13 0.00 0.43 0.00 0.00 57.03 56.13 3i04 h ASP 461 Cb 1.10 -0.25 -0.17 0.00 -0.56 0.00 0.00 39.33 39.45 3i04 h ASP 461 CO 0.83 1.74 -0.66 -0.13 -1.57 0.00 0.00 179.24 179.46 3i04 s ARG 462 N -2.59 0.52 -0.09 3.56 0.52 -0.35 -5.00 118.95 115.52 3i04 s ARG 462 Ca -0.11 -0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 54.01 3i04 s ARG 462 Cb 0.04 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.73 3i04 s ARG 462 CO 0.92 -0.10 0.30 0.14 0.02 0.00 0.00 175.30 176.57 3i04 s VAL 463 N -3.02 0.02 0.01 3.52 -7.23 -1.26 -1.04 120.40 111.38 3i04 s VAL 463 Ca -0.01 -0.14 0.08 0.00 -1.81 0.00 0.00 61.98 60.09 3i04 s VAL 463 Cb 0.01 -0.47 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 3i04 s VAL 463 CO -0.07 -0.08 -0.25 -1.58 -0.31 0.00 0.00 175.10 172.82 3i04 s GLN 464 N -0.25 1.89 -0.07 4.82 0.74 0.29 0.81 119.66 127.89 3i04 s GLN 464 Ca -0.04 -0.96 0.02 0.00 0.05 0.00 0.00 55.36 54.44 3i04 s GLN 464 Cb -0.03 -1.91 0.01 0.00 1.10 0.00 0.00 33.01 32.18 3i04 s GLN 464 CO 0.01 0.51 -0.13 0.08 -0.55 0.00 0.00 175.29 175.22 3i04 s VAL 465 N -0.66 1.21 0.04 1.34 1.01 -1.26 0.65 120.40 122.72 3i04 s VAL 465 Ca 0.10 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3i04 s VAL 465 Cb -0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3i04 s VAL 465 CO 0.00 0.37 -0.11 0.28 0.00 0.00 0.00 175.10 175.64 3i04 s THR 466 N 0.67 0.86 0.04 3.92 -1.32 -1.00 -2.57 115.64 116.24 3i04 s THR 466 Ca -0.14 -1.01 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 3i04 s THR 466 Cb -0.16 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 3i04 s THR 466 CO 0.04 -0.15 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.60 3i04 s ILE 467 N -1.03 0.42 -0.02 5.08 1.09 -1.02 -2.79 121.20 122.93 3i04 s ILE 467 Ca -0.03 -1.08 0.02 0.00 -1.10 0.00 0.00 60.65 58.46 3i04 s ILE 467 Cb -0.08 -0.57 0.01 0.00 -1.06 0.00 0.00 42.46 40.76 3i04 s ILE 467 CO 0.01 -0.45 -0.06 -0.36 -0.10 0.00 0.00 174.94 173.98 3i04 s PHE 468 N -1.54 0.67 -0.07 3.97 0.40 -1.07 -1.21 117.98 119.13 3i04 s PHE 468 Ca -0.11 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 3i04 s PHE 468 Cb -0.09 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 42.94 3i04 s PHE 468 CO -0.00 -0.09 -0.11 0.99 0.70 0.00 0.00 175.22 176.70 3i04 s THR 469 N 0.33 1.08 0.00 0.64 2.01 -1.23 -2.71 115.64 115.76 3i04 s THR 469 Ca -0.04 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3i04 s THR 469 Cb -0.08 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.42 3i04 s THR 469 CO -0.00 0.35 0.00 -0.67 -0.69 0.00 0.00 174.62 173.61 3i04 n ASP 470 N 3.98 0.00 0.00 3.53 -0.08 -1.24 -4.26 116.55 118.48 3i04 n ASP 470 Ca -0.22 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.08 3i04 n ASP 470 Cb 0.51 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.05 3i04 n ASP 470 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3i04 n GLU 471 N -0.87 0.01 0.00 -0.67 1.02 -1.26 -3.32 120.64 115.55 3i04 n GLU 471 Ca 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3i04 n GLU 471 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3i04 n GLU 471 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i04 n ALA 472 N -1.46 1.99 -0.26 0.62 0.00 -1.26 -4.65 120.51 115.49 3i04 n ALA 472 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3i04 n ALA 472 Cb 0.04 0.34 0.05 0.00 0.00 0.00 0.00 19.45 19.87 3i04 n ALA 472 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i04 h LYS 473 N 0.00 1.12 -0.00 0.00 1.63 -1.89 -2.49 116.57 114.94 3i04 h LYS 473 Ca 0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3i04 h LYS 473 Cb 0.69 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3i04 h LYS 473 CO 0.00 0.96 -0.07 1.33 -3.45 0.00 0.00 179.45 178.22 3i04 n VAL 474 N -4.28 0.00 0.96 2.00 0.24 -1.21 -3.42 118.33 112.62 3i04 n VAL 474 Ca 0.05 -0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 3i04 n VAL 474 Cb 0.23 -0.39 0.18 0.00 -1.47 0.00 0.00 33.84 32.38 3i04 n VAL 474 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i04 n LYS 475 N -1.47 0.02 0.08 7.34 5.02 -0.95 -3.44 118.16 124.77 3i04 n LYS 475 Ca 0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 3i04 n LYS 475 Cb 0.33 -1.51 0.13 0.00 -0.02 0.00 0.00 35.03 33.96 3i04 n LYS 475 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3i04 h GLU 476 N 0.00 0.25 -0.04 1.97 5.08 -1.54 -3.15 114.58 117.15 3i04 h GLU 476 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3i04 h GLU 476 Cb 0.52 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3i04 h GLU 476 CO 0.00 0.76 0.00 0.66 -1.00 0.00 0.00 179.01 179.43 3i04 n TYR 477 N -3.89 0.05 -0.00 4.33 4.02 -1.24 -2.45 117.16 117.98 3i04 n TYR 477 Ca -0.02 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.90 57.73 3i04 n TYR 477 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.87 3i04 n TYR 477 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 3i04 h MET 478 N 0.91 0.12 -0.52 -0.72 4.05 -1.57 -1.35 114.93 115.85 3i04 h MET 478 Ca 0.00 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 3i04 h MET 478 Cb 0.20 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 3i04 h MET 478 CO 0.00 0.14 -0.00 0.93 0.23 0.00 0.00 176.91 178.21 3i04 h GLU 479 N 0.06 0.91 -0.81 0.39 5.08 -1.71 0.11 114.58 118.61 3i04 h GLU 479 Ca 0.03 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3i04 h GLU 479 Cb 0.06 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3i04 h GLU 479 CO -0.01 0.94 0.38 0.28 -1.00 0.00 0.00 179.01 179.60 3i04 h VAL 480 N 0.78 1.25 -0.73 3.13 2.07 -1.62 0.23 116.25 121.37 3i04 h VAL 480 Ca 0.15 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3i04 h VAL 480 Cb 0.53 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3i04 h VAL 480 CO 0.03 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.18 3i04 h ALA 481 N 1.20 1.08 -2.04 1.67 0.00 -1.17 -2.86 119.26 117.13 3i04 h ALA 481 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 481 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i04 h ALA 481 CO -0.03 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.40 3i04 n ARG 482 N -4.27 0.00 0.27 0.00 5.12 0.66 -3.03 116.66 115.42 3i04 n ARG 482 Ca 0.06 0.16 0.13 0.00 -1.93 0.00 0.00 57.85 56.27 3i04 n ARG 482 Cb 0.20 -0.97 0.58 0.00 -1.16 0.00 0.00 32.46 31.11 3i04 n ARG 482 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 3i04 h GLU 483 N 0.00 0.00 0.70 5.56 -0.00 -1.30 -1.61 114.58 117.93 3i04 h GLU 483 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 3i04 h GLU 483 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3i04 h GLU 483 CO 0.00 0.00 -0.43 0.87 -0.00 0.00 0.00 179.01 179.45 3i04 h LYS 484 N 0.00 -1.01 0.00 1.06 1.79 -1.41 -2.91 116.57 114.08 3i04 h LYS 484 Ca 0.05 0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 3i04 h LYS 484 Cb 1.19 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 3i04 h LYS 484 CO -0.00 -0.68 -0.21 0.10 -1.08 0.00 0.00 179.45 177.58 3i04 h TYR 485 N -1.05 0.00 -0.41 -1.35 -0.00 -1.23 -3.34 116.97 109.60 3i04 h TYR 485 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.64 3i04 h TYR 485 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.55 3i04 h TYR 485 CO -0.07 0.21 0.26 -0.22 -0.00 0.00 0.00 178.16 178.34 3i04 h LYS 486 N 0.00 0.54 -0.68 0.10 3.64 -1.24 2.20 116.57 121.13 3i04 h LYS 486 Ca -0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3i04 h LYS 486 Cb 0.76 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3i04 h LYS 486 CO 0.03 0.37 0.26 1.05 -2.27 0.00 0.00 179.45 178.89 3i04 h GLU 487 N 0.55 1.03 -0.71 1.90 4.11 -1.68 -1.57 114.58 118.21 3i04 h GLU 487 Ca 0.15 -0.20 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 3i04 h GLU 487 Cb -0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3i04 h GLU 487 CO -0.03 0.87 0.27 0.00 0.07 0.00 0.00 179.01 180.19 3i04 h ARG 488 N 0.97 1.06 -0.64 1.06 3.08 -1.13 -2.41 114.38 116.38 3i04 h ARG 488 Ca 0.23 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3i04 h ARG 488 Cb 0.23 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3i04 h ARG 488 CO -0.02 0.88 0.23 0.22 -1.07 0.00 0.00 179.97 180.22 3i04 h ASP 489 N 1.01 0.87 -0.81 7.04 1.82 0.38 -2.80 116.42 123.92 3i04 h ASP 489 Ca 0.23 -0.13 0.01 0.00 -0.39 0.00 0.00 57.03 56.75 3i04 h ASP 489 Cb 0.23 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 3i04 h ASP 489 CO -0.02 0.80 0.54 0.44 -1.61 0.00 0.00 179.24 179.39 3i04 h ASP 490 N 0.92 0.94 -0.81 2.28 5.19 -0.77 -0.20 116.42 123.97 3i04 h ASP 490 Ca 0.21 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 3i04 h ASP 490 Cb 0.22 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 3i04 h ASP 490 CO -0.01 0.68 0.36 0.03 -3.12 0.00 0.00 179.24 177.18 3i04 h ARG 491 N 1.10 1.18 -0.81 3.56 3.08 -1.45 -1.17 114.38 119.87 3i04 h ARG 491 Ca 0.30 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3i04 h ARG 491 Cb -0.13 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.68 3i04 h ARG 491 CO -0.06 0.93 0.37 1.98 -1.07 0.00 0.00 179.97 182.11 3i04 h MET 492 N 1.16 1.18 -0.78 0.04 4.05 -0.99 -1.22 114.93 118.37 3i04 h MET 492 Ca 0.27 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 3i04 h MET 492 Cb 0.16 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 3i04 h MET 492 CO -0.03 0.93 0.35 0.07 0.23 0.00 0.00 176.91 178.45 3i04 h ARG 493 N 1.16 1.14 -0.49 0.39 0.11 -0.35 -2.58 114.38 113.75 3i04 h ARG 493 Ca 0.27 -0.19 -0.05 0.00 0.10 0.00 0.00 59.98 60.12 3i04 h ARG 493 Cb 0.15 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.01 3i04 h ARG 493 CO -0.03 0.90 0.11 0.78 0.10 0.00 0.00 179.97 181.83 3i04 h GLY 494 N 1.11 0.79 -7.32 0.08 0.00 -0.76 -3.44 103.07 93.53 3i04 h GLY 494 Ca 0.26 -0.45 -0.66 0.00 0.00 0.00 0.00 47.33 46.49 3i04 h GLY 494 CO -0.03 0.42 1.07 -2.27 0.00 0.00 0.00 176.54 175.73 3i04 s LEU 495 N -9.28 4.47 0.52 3.11 1.98 -0.50 -4.86 118.68 114.12 3i04 s LEU 495 Ca -0.09 -1.80 0.04 0.00 -2.89 0.00 0.00 54.13 49.39 3i04 s LEU 495 Cb 0.16 -2.46 0.01 0.00 0.66 0.00 0.00 46.19 44.56 3i04 s LEU 495 CO 0.79 -1.24 0.22 0.42 -1.89 0.00 0.00 176.35 174.66 3i04 s THR 496 N 3.55 1.48 0.22 3.68 -4.23 -1.26 -4.88 115.64 114.21 3i04 s THR 496 Ca 0.37 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 59.08 3i04 s THR 496 Cb -0.03 -2.19 0.19 0.00 1.34 0.00 0.00 72.50 71.80 3i04 s THR 496 CO -0.09 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.31 3i04 h ASP 497 N 1.03 0.98 0.69 3.99 5.19 -1.94 -2.85 116.42 123.53 3i04 h ASP 497 Ca -0.40 -0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 55.87 3i04 h ASP 497 Cb 1.31 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 3i04 h ASP 497 CO 0.65 0.74 -0.43 -0.33 -3.12 0.00 0.00 179.24 176.75 3i04 h GLU 498 N 1.14 0.00 -0.63 3.56 3.07 -1.97 -3.25 114.58 116.50 3i04 h GLU 498 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3i04 h GLU 498 Cb -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3i04 h GLU 498 CO -0.06 0.43 0.00 0.25 -1.40 0.00 0.00 179.01 178.23 3i04 n THR 499 N -3.69 1.21 -4.40 1.13 -2.24 -1.08 -4.85 114.28 100.37 3i04 n THR 499 Ca -0.01 -0.72 -0.26 0.00 -2.27 0.00 0.00 64.05 60.79 3i04 n THR 499 Cb 0.51 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.51 3i04 n THR 499 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i04 s VAL 500 N -1.80 2.22 -0.11 2.28 -7.23 -1.23 -4.83 120.40 109.71 3i04 s VAL 500 Ca 0.31 -2.00 0.16 0.00 -1.81 0.00 0.00 61.98 58.64 3i04 s VAL 500 Cb 0.21 -2.05 0.25 0.00 0.56 0.00 0.00 36.38 35.34 3i04 s VAL 500 CO 0.13 -0.16 1.13 -0.90 -0.31 0.00 0.00 175.10 174.99 3i04 n ASP 501 N 0.28 2.01 -3.76 4.85 5.68 -1.26 -4.98 116.55 119.36 3i04 n ASP 501 Ca -0.13 -2.92 -0.13 0.00 -0.50 0.00 0.00 54.79 51.11 3i04 n ASP 501 Cb 0.56 -0.39 -0.14 0.00 -1.14 0.00 0.00 41.12 40.01 3i04 n ASP 501 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i04 s THR 502 N -2.45 -0.04 0.14 2.12 2.01 -1.26 -2.94 115.64 113.21 3i04 s THR 502 Ca 0.27 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.49 3i04 s THR 502 Cb 0.24 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.48 3i04 s THR 502 CO 0.03 0.06 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.64 3i04 s PHE 503 N 1.00 2.87 0.03 4.92 2.99 0.30 -4.89 117.98 125.21 3i04 s PHE 503 Ca -0.08 -0.11 0.07 0.00 0.00 0.00 0.00 56.93 56.82 3i04 s PHE 503 Cb -0.10 -1.44 -0.03 0.00 0.00 0.00 0.00 43.02 41.45 3i04 s PHE 503 CO -0.05 0.49 -0.19 0.71 -0.00 0.00 0.00 175.22 176.18 3i04 s TYR 504 N -1.50 2.53 0.64 0.36 1.51 -1.13 0.43 117.35 120.18 3i04 s TYR 504 Ca 0.26 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 56.01 3i04 s TYR 504 Cb -0.10 -1.47 0.13 0.00 -0.11 0.00 0.00 41.96 40.41 3i04 s TYR 504 CO 0.18 0.22 0.88 -1.13 -1.11 0.00 0.00 175.55 174.59 3i04 n SER 505 N 1.66 0.91 -3.67 2.29 3.41 0.37 -0.43 113.62 118.16 3i04 n SER 505 Ca -0.16 -1.83 -0.15 0.00 -0.26 0.00 0.00 58.87 56.46 3i04 n SER 505 Cb 0.52 -0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 3i04 n SER 505 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i04 n VAL 507 N 5.21 1.87 -0.12 0.00 0.24 -0.27 -1.46 118.33 123.81 3i04 n VAL 507 Ca -0.07 -2.69 -0.10 0.00 -2.04 0.00 0.00 64.34 59.43 3i04 n VAL 507 Cb 0.50 -0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.73 3i04 n VAL 507 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3i04 h LEU 508 N 0.69 0.58 0.00 1.34 5.85 -1.92 -2.86 115.31 118.99 3i04 h LEU 508 Ca -0.02 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3i04 h LEU 508 Cb 1.08 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3i04 h LEU 508 CO 0.01 0.73 0.00 0.00 -0.34 0.00 0.00 178.44 178.84 3i04 n GLN 510 N -1.44 0.23 0.19 0.00 6.02 -1.08 0.14 117.38 121.43 3i04 n GLN 510 Ca 0.01 0.13 0.04 0.00 -0.01 0.00 0.00 57.00 57.18 3i04 n GLN 510 Cb 0.04 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.17 3i04 n GLN 510 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3i04 h SER 511 N 0.00 0.00 0.00 1.08 4.64 -1.78 -3.26 113.55 114.23 3i04 h SER 511 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i04 h SER 511 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3i04 h SER 511 CO 0.00 0.38 -0.52 0.49 -0.87 0.00 0.00 176.83 176.31 3i04 n PHE 512 N -3.85 0.00 -3.42 4.77 3.01 -0.51 -4.83 117.46 112.64 3i04 n PHE 512 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.19 3i04 n PHE 512 Cb 0.44 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.83 3i04 n PHE 512 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i04 n ALA 513 N -1.13 3.16 0.16 4.37 0.00 0.12 -1.05 120.51 126.13 3i04 n ALA 513 Ca 0.00 -3.93 0.19 0.00 0.00 0.00 0.00 53.44 49.70 3i04 n ALA 513 Cb 0.00 -0.86 0.74 0.00 0.00 0.00 0.00 19.45 19.33 3i04 n ALA 513 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i04 h PRO 514 N 4.61 0.00 -0.19 0.00 0.13 -1.79 0.18 132.00 134.94 3i04 h PRO 514 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3i04 h PRO 514 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3i04 h PRO 514 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 3i04 n ASN 515 N -3.44 2.50 -4.77 1.44 3.02 -1.26 -4.89 115.26 107.85 3i04 n ASN 515 Ca 0.05 -1.98 -0.38 0.00 -0.03 0.00 0.00 54.58 52.25 3i04 n ASN 515 Cb 0.59 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 3i04 n ASN 515 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i04 s HIS 516 N -0.98 3.52 -0.02 3.10 2.46 0.63 -4.47 115.29 119.53 3i04 s HIS 516 Ca 0.13 1.72 0.00 0.00 0.47 0.00 0.00 55.06 57.38 3i04 s HIS 516 Cb 0.07 -3.08 0.03 0.00 -0.13 0.00 0.00 32.58 29.47 3i04 s HIS 516 CO 0.09 -0.25 0.03 0.08 -2.47 0.00 0.00 174.74 172.21 3i04 s VAL 517 N -1.51 -0.03 0.20 0.89 1.01 -1.26 -4.66 120.40 115.03 3i04 s VAL 517 Ca 0.51 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 3i04 s VAL 517 Cb -0.23 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.99 3i04 s VAL 517 CO 0.29 0.10 0.46 0.00 0.00 0.00 0.00 175.10 175.95 3i04 s ILE 519 N -1.83 3.27 -0.31 0.00 -1.09 -1.26 -1.79 121.20 118.20 3i04 s ILE 519 Ca 0.43 -0.90 -0.13 0.00 -2.23 0.00 0.00 60.65 57.82 3i04 s ILE 519 Cb -0.11 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 3i04 s ILE 519 CO 0.26 0.16 0.28 -0.69 -1.23 0.00 0.00 174.94 173.72 3i04 s VAL 520 N 1.39 5.24 0.24 2.92 1.01 0.43 -4.86 120.40 126.78 3i04 s VAL 520 Ca 0.01 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.19 3i04 s VAL 520 Cb -0.17 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3i04 s VAL 520 CO -0.02 0.07 -0.13 0.42 0.00 0.00 0.00 175.10 175.44 3i04 s THR 521 N 1.87 2.88 0.36 3.92 -4.23 -1.08 -2.85 115.64 116.51 3i04 s THR 521 Ca 0.09 -2.06 0.18 0.00 -1.18 0.00 0.00 61.69 58.72 3i04 s THR 521 Cb -0.16 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.54 3i04 s THR 521 CO 0.11 -0.29 1.64 -0.65 -0.54 0.00 0.00 174.62 174.88 3i04 h PRO 522 N 2.43 0.21 -0.47 3.99 0.11 -1.92 -2.56 132.00 133.79 3i04 h PRO 522 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i04 h PRO 522 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i04 h PRO 522 CO 0.57 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 3i04 n GLU 523 N -5.07 2.99 -3.49 1.05 1.02 -1.26 -4.77 120.64 111.10 3i04 n GLU 523 Ca 0.34 -2.41 -0.22 0.00 -0.02 0.00 0.00 57.16 54.85 3i04 n GLU 523 Cb 1.11 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.90 3i04 n GLU 523 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3i04 s ARG 524 N -1.35 0.21 0.70 3.49 1.70 -0.96 -4.64 118.95 118.11 3i04 s ARG 524 Ca 0.35 -0.14 -0.16 0.00 -0.47 0.00 0.00 55.73 55.31 3i04 s ARG 524 Cb 0.21 -1.10 -0.00 0.00 -0.57 0.00 0.00 34.95 33.48 3i04 s ARG 524 CO 0.20 -0.87 0.97 1.33 -1.08 0.00 0.00 175.30 175.85 3i04 n VAL 525 N 5.29 3.03 -1.61 4.99 0.24 -1.26 -2.62 118.33 126.39 3i04 n VAL 525 Ca -0.05 -0.40 -0.39 0.00 -2.04 0.00 0.00 64.34 61.47 3i04 n VAL 525 Cb 0.46 -1.12 0.04 0.00 -1.47 0.00 0.00 33.84 31.76 3i04 n VAL 525 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i04 n GLY 526 N 1.12 -0.33 0.32 7.63 0.00 -0.59 -4.68 105.19 108.66 3i04 n GLY 526 Ca 0.13 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3i04 n GLY 526 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3i04 h LEU 527 N 0.81 0.00 -1.76 0.99 8.10 -1.91 -1.56 115.31 119.99 3i04 h LEU 527 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.52 3i04 h LEU 527 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.58 3i04 h LEU 527 CO 0.52 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.85 3i04 n GLY 529 N -0.53 0.42 0.14 0.00 0.00 -0.59 -4.74 105.19 99.90 3i04 n GLY 529 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3i04 n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 530 N 1.01 3.41 -3.79 4.61 0.00 -1.26 -4.97 120.51 119.52 3i04 n ALA 530 Ca -0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 3i04 n ALA 530 Cb 0.13 -0.48 -0.17 0.00 0.00 0.00 0.00 19.45 18.93 3i04 n ALA 530 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i04 s VAL 531 N -1.99 0.90 0.22 0.00 1.01 -1.26 -5.05 120.40 114.22 3i04 s VAL 531 Ca 0.08 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3i04 s VAL 531 Cb 0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3i04 s VAL 531 CO 0.45 0.34 0.23 -0.94 0.00 0.00 0.00 175.10 175.18 3i04 s SER 532 N 1.51 5.81 0.35 3.32 1.04 -1.26 -1.54 113.70 122.93 3i04 s SER 532 Ca 0.00 -0.10 0.16 0.00 0.48 0.00 0.00 55.95 56.49 3i04 s SER 532 Cb -0.13 -1.58 1.18 0.00 0.10 0.00 0.00 66.02 65.59 3i04 s SER 532 CO -0.05 -0.01 1.57 1.87 0.98 0.00 0.00 173.24 177.59 3i04 n TRP 533 N -0.98 1.02 0.02 5.02 -0.00 -1.26 0.49 117.44 121.74 3i04 n TRP 533 Ca -0.08 1.18 -0.19 0.00 -0.00 0.00 0.00 57.50 58.41 3i04 n TRP 533 Cb 0.56 -1.48 -0.09 0.00 -0.00 0.00 0.00 31.31 30.30 3i04 n TRP 533 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3i04 h LEU 534 N 0.00 0.93 -0.28 5.87 4.07 -1.95 0.35 115.31 124.29 3i04 h LEU 534 Ca 0.78 -0.69 0.03 0.00 0.08 0.00 0.00 57.88 58.08 3i04 h LEU 534 Cb 1.97 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 43.39 3i04 h LEU 534 CO -0.81 1.49 0.09 0.44 -1.08 0.00 0.00 178.44 178.57 3i04 h ASP 535 N 0.45 0.09 0.17 -0.43 3.32 -1.56 -1.30 116.42 117.16 3i04 h ASP 535 Ca -0.10 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3i04 h ASP 535 Cb 1.59 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.16 3i04 h ASP 535 CO 0.19 0.09 -0.08 0.00 -1.72 0.00 0.00 179.24 177.71 3i04 h ALA 536 N 1.18 -0.23 -0.24 3.45 0.00 0.10 -2.36 119.26 121.16 3i04 h ALA 536 Ca 0.13 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 536 Cb 0.10 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 536 CO -0.14 -0.61 -0.16 -0.22 0.00 0.00 0.00 179.25 178.13 3i04 h LYS 537 N -0.27 -0.14 -1.00 0.00 3.64 -0.20 -1.27 116.57 117.33 3i04 h LYS 537 Ca -0.02 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.51 3i04 h LYS 537 Cb 0.21 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 3i04 h LYS 537 CO 0.04 -0.09 0.63 0.00 -2.27 0.00 0.00 179.45 177.75 3i04 h ALA 538 N 1.02 1.59 -0.26 5.00 0.00 -1.20 -2.62 119.26 122.79 3i04 h ALA 538 Ca 0.13 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 538 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i04 h ALA 538 CO -0.33 0.12 -0.33 1.03 0.00 0.00 0.00 179.25 179.74 3i04 h SER 539 N 0.91 0.57 -0.81 0.00 0.87 -0.69 -2.02 113.55 112.38 3i04 h SER 539 Ca 0.53 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3i04 h SER 539 Cb 0.65 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 3i04 h SER 539 CO -0.30 0.86 0.52 0.22 -0.53 0.00 0.00 176.83 177.59 3i04 h TYR 540 N 0.47 1.05 0.00 2.24 3.20 -1.02 -2.63 116.97 120.29 3i04 h TYR 540 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3i04 h TYR 540 Cb 0.80 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3i04 h TYR 540 CO 0.03 0.68 -0.02 0.93 -1.64 0.00 0.00 178.16 178.14 3i04 h GLU 541 N 1.11 0.01 -0.22 1.82 4.39 -1.42 -2.18 114.58 118.09 3i04 h GLU 541 Ca 0.30 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.05 3i04 h GLU 541 Cb -0.09 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3i04 h GLU 541 CO -0.06 0.90 0.27 0.82 -1.16 0.00 0.00 179.01 179.78 3i04 h ILE 542 N -0.87 0.40 -0.88 3.13 2.04 -1.46 -3.39 117.51 116.48 3i04 h ILE 542 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 3i04 h ILE 542 Cb 0.91 0.78 -0.21 0.00 -0.74 0.00 0.00 36.82 37.56 3i04 h ILE 542 CO 0.00 0.00 -0.16 0.21 0.00 0.00 0.00 178.15 178.20 3i04 s ASN 543 N -5.54 -1.15 0.24 1.72 3.84 -0.99 -4.83 114.94 108.24 3i04 s ASN 543 Ca -0.04 0.76 -0.05 0.00 0.21 0.00 0.00 52.86 53.74 3i04 s ASN 543 Cb 0.15 1.98 0.27 0.00 -0.55 0.00 0.00 41.25 43.09 3i04 s ASN 543 CO 0.52 -0.21 1.82 0.45 -2.79 0.00 0.00 177.10 176.89 3i04 h HIS 544 N 7.99 1.10 -0.62 0.43 3.86 -1.60 -3.17 115.15 123.14 3i04 h HIS 544 Ca -0.20 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 58.87 3i04 h HIS 544 Cb 1.16 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 3i04 h HIS 544 CO 0.10 0.83 0.08 0.00 0.86 0.00 0.00 177.93 179.80 3i04 n ALA 545 N -2.44 4.09 -1.17 2.45 0.00 -1.26 -4.88 120.51 117.30 3i04 n ALA 545 Ca 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.51 3i04 n ALA 545 Cb 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3i04 n ALA 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i04 n GLY 546 N 0.38 -0.52 0.12 0.00 0.00 -1.20 -4.97 105.19 99.01 3i04 n GLY 546 Ca 0.31 -1.70 0.11 0.00 0.00 0.00 0.00 46.02 44.75 3i04 n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i04 n PRO 547 N -0.31 0.16 -5.11 1.61 -0.04 -1.26 -4.63 135.00 125.42 3i04 n PRO 547 Ca 0.00 0.44 -0.32 0.00 -0.04 0.00 0.00 63.50 63.57 3i04 n PRO 547 Cb 0.00 -1.84 -0.16 0.00 -0.04 0.00 0.00 33.50 31.46 3i04 n PRO 547 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i04 s ASN 548 N -4.07 3.32 0.04 3.54 -0.87 -1.26 -1.11 114.94 114.53 3i04 s ASN 548 Ca 0.04 -0.50 0.06 0.00 -1.57 0.00 0.00 52.86 50.89 3i04 s ASN 548 Cb 0.09 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.25 39.86 3i04 s ASN 548 CO 0.35 0.17 -0.17 -1.10 -2.57 0.00 0.00 177.10 173.77 3i04 s GLN 549 N 0.31 1.17 0.21 -0.60 -1.52 -1.26 -4.27 119.66 113.70 3i04 s GLN 549 Ca -0.16 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.11 3i04 s GLN 549 Cb -0.17 -1.23 -0.08 0.00 -0.22 0.00 0.00 33.01 31.30 3i04 s GLN 549 CO 0.08 0.31 1.02 -1.25 -0.25 0.00 0.00 175.29 175.20 3i04 s PRO 550 N -1.13 4.72 -0.34 2.91 0.04 -1.26 -0.48 135.00 139.46 3i04 s PRO 550 Ca 0.05 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 3i04 s PRO 550 Cb -0.08 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.24 3i04 s PRO 550 CO 0.01 0.30 0.09 0.42 0.04 0.00 0.00 177.00 177.87 3i04 s ILE 551 N -0.78 3.51 -0.36 0.56 1.01 1.46 -4.91 121.20 121.70 3i04 s ILE 551 Ca 0.45 -1.33 -0.40 0.00 0.00 0.00 0.00 60.65 59.36 3i04 s ILE 551 Cb -0.28 -3.06 -0.15 0.00 0.01 0.00 0.00 42.46 38.98 3i04 s ILE 551 CO 0.34 -0.24 1.95 -2.65 0.00 0.00 0.00 174.94 174.34 3i04 n PRO 552 N 4.74 0.85 -1.67 2.79 -0.02 -1.26 -0.53 135.00 139.89 3i04 n PRO 552 Ca -0.11 0.28 -0.16 0.00 -2.02 0.00 0.00 63.50 61.49 3i04 n PRO 552 Cb 0.44 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 3i04 n PRO 552 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i04 s LYS 553 N 4.79 1.74 -0.06 -0.52 2.20 -1.15 -4.69 119.74 122.04 3i04 s LYS 553 Ca 1.06 0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 56.84 3i04 s LYS 553 Cb -1.11 -4.87 0.04 0.00 -1.51 0.00 0.00 37.83 30.38 3i04 s LYS 553 CO 0.62 -4.38 0.13 -2.00 -0.36 0.00 0.00 175.35 169.36 3i04 s GLU 554 N 8.45 0.06 -0.08 4.03 2.56 -1.26 -4.91 118.70 127.55 3i04 s GLU 554 Ca 0.87 0.40 -0.00 0.00 0.00 0.00 0.00 54.97 56.24 3i04 s GLU 554 Cb -0.11 -0.22 -0.00 0.00 2.00 0.00 0.00 34.13 35.80 3i04 s GLU 554 CO 0.08 -0.21 0.07 0.41 -0.56 0.00 0.00 175.26 175.05 3i04 n GLY 555 N 4.53 0.38 3.37 -1.50 0.00 -1.26 -1.98 105.19 108.74 3i04 n GLY 555 Ca -0.20 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3i04 n GLY 555 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i04 n GLU 556 N -1.46 -0.31 0.00 1.61 1.02 -1.26 -1.67 120.64 118.56 3i04 n GLU 556 Ca -0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3i04 n GLU 556 Cb 0.51 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3i04 n GLU 556 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i04 n ILE 557 N -3.53 0.00 -3.15 -3.67 5.41 -0.93 -4.76 119.36 108.72 3i04 n ILE 557 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.86 3i04 n ILE 557 Cb 0.54 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.46 3i04 n ILE 557 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i04 s ASP 558 N -0.26 -0.42 0.33 4.38 -1.08 -1.23 -4.95 116.67 113.44 3i04 s ASP 558 Ca 0.00 0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.49 3i04 s ASP 558 Cb 0.00 1.33 0.72 0.00 -1.46 0.00 0.00 42.92 43.51 3i04 s ASP 558 CO 0.00 -0.08 1.73 1.55 0.52 0.00 0.00 175.17 178.90 3i04 h PRO 559 N 7.84 0.00 0.04 4.34 0.13 -1.96 0.26 132.00 142.65 3i04 h PRO 559 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3i04 h PRO 559 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3i04 h PRO 559 CO -0.11 0.00 -0.02 0.82 -0.23 0.00 0.00 178.00 178.46 3i04 h ILE 560 N 0.00 1.36 -0.42 -3.56 1.08 -1.97 -3.31 117.51 110.69 3i04 h ILE 560 Ca 0.00 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 3i04 h ILE 560 Cb 0.76 2.37 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 3i04 h ILE 560 CO 0.00 0.38 0.00 0.29 -0.69 0.00 0.00 178.15 178.13 3i04 n LYS 561 N -4.78 2.63 -3.87 2.37 5.02 -1.24 -4.36 118.16 113.93 3i04 n LYS 561 Ca -0.09 -1.78 -0.34 0.00 -2.02 0.00 0.00 58.31 54.08 3i04 n LYS 561 Cb 0.33 -1.61 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3i04 n LYS 561 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i04 n GLY 562 N 0.89 -1.06 3.52 0.72 0.00 -0.67 -3.17 105.19 105.41 3i04 n GLY 562 Ca 0.16 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 46.31 3i04 n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 563 N -3.29 3.63 -0.03 -0.61 1.01 0.84 -2.19 121.20 120.56 3i04 s ILE 563 Ca 0.29 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.45 3i04 s ILE 563 Cb -0.14 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.83 3i04 s ILE 563 CO 0.92 0.55 0.05 0.26 0.00 0.00 0.00 174.94 176.72 3i04 s TRP 564 N -0.23 -0.00 -0.94 3.97 0.51 -1.26 -2.19 118.94 118.78 3i04 s TRP 564 Ca 0.03 0.18 0.18 0.00 -2.12 0.00 0.00 56.10 54.38 3i04 s TRP 564 Cb -0.13 -0.20 0.77 0.00 -0.81 0.00 0.00 33.47 33.10 3i04 s TRP 564 CO 0.03 -0.10 1.58 1.17 -0.51 0.00 0.00 176.95 179.12 3i04 n LYS 565 N 4.14 0.02 0.13 4.98 4.81 -0.67 -0.49 118.16 131.08 3i04 n LYS 565 Ca -0.27 0.22 -0.22 0.00 -0.87 0.00 0.00 58.31 57.17 3i04 n LYS 565 Cb 0.51 -1.54 -0.15 0.00 0.02 0.00 0.00 35.03 33.86 3i04 n LYS 565 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3i04 h SER 566 N 0.00 0.71 0.54 3.14 4.64 -1.62 -3.17 113.55 117.79 3i04 h SER 566 Ca 0.00 -0.80 -0.29 0.00 -0.47 0.00 0.00 61.79 60.23 3i04 h SER 566 Cb 0.32 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3i04 h SER 566 CO 0.00 1.64 -1.42 1.62 -0.87 0.00 0.00 176.83 177.80 3i04 h VAL 567 N 0.12 1.27 -0.90 0.95 3.04 -1.70 -2.24 116.25 116.80 3i04 h VAL 567 Ca -0.24 -2.91 0.07 0.00 -1.01 0.00 0.00 66.70 62.61 3i04 h VAL 567 Cb 2.12 2.80 -0.07 0.00 -2.01 0.00 0.00 31.29 34.13 3i04 h VAL 567 CO 0.24 0.83 0.56 0.78 -1.01 0.00 0.00 177.57 178.98 3i04 h ASN 568 N 0.06 0.87 0.77 3.17 -0.26 -0.94 -0.74 115.58 118.51 3i04 h ASN 568 Ca -0.20 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.56 3i04 h ASN 568 Cb 1.99 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 39.09 3i04 h ASN 568 CO 0.17 0.54 -1.14 0.47 -1.06 0.00 0.00 177.43 176.41 3i04 n ASP 569 N -4.61 0.68 -0.01 5.81 8.00 -1.20 -1.21 116.55 124.02 3i04 n ASP 569 Ca 0.14 0.21 -0.16 0.00 0.71 0.00 0.00 54.79 55.68 3i04 n ASP 569 Cb 0.21 0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 41.91 3i04 n ASP 569 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3i04 h TYR 570 N 0.00 0.50 -0.46 1.24 3.20 -1.38 -3.08 116.97 116.99 3i04 h TYR 570 Ca 0.00 -0.26 0.09 0.00 3.14 0.00 0.00 58.73 61.71 3i04 h TYR 570 Cb 0.96 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 39.07 3i04 h TYR 570 CO 0.00 1.06 -0.15 1.25 -1.64 0.00 0.00 178.16 178.68 3i04 h LEU 571 N -0.20 -0.52 -1.01 2.82 5.85 -1.14 -1.19 115.31 119.92 3i04 h LEU 571 Ca -0.05 0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3i04 h LEU 571 Cb 1.17 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 42.44 3i04 h LEU 571 CO 0.09 -0.18 0.64 0.22 -0.34 0.00 0.00 178.44 178.87 3i04 h TYR 572 N -0.04 1.17 0.01 1.25 3.20 -1.16 -2.15 116.97 119.25 3i04 h TYR 572 Ca 0.22 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3i04 h TYR 572 Cb 0.38 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3i04 h TYR 572 CO -0.42 0.52 -0.05 1.79 -1.64 0.00 0.00 178.16 178.36 3i04 h THR 573 N 1.07 1.76 0.00 1.81 1.35 -1.27 0.47 112.91 118.11 3i04 h THR 573 Ca 0.47 -2.31 -0.09 0.00 -0.55 0.00 0.00 66.41 63.94 3i04 h THR 573 Cb 0.37 3.33 -0.01 0.00 -1.73 0.00 0.00 68.15 70.11 3i04 h THR 573 CO -0.23 0.60 -0.41 0.00 -0.25 0.00 0.00 175.52 175.23 3i04 h ALA 574 N 0.03 0.78 -0.33 6.62 0.00 -1.32 -2.73 119.26 122.31 3i04 h ALA 574 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i04 h ALA 574 Cb 1.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i04 h ALA 574 CO 0.01 0.52 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 3i04 n SER 575 N -3.27 2.98 -3.17 0.00 3.41 -0.81 -4.86 113.62 107.90 3i04 n SER 575 Ca 0.02 -2.31 -0.19 0.00 -0.26 0.00 0.00 58.87 56.12 3i04 n SER 575 Cb 0.65 -0.48 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 3i04 n SER 575 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i04 n ASN 576 N 0.44 -4.92 0.00 4.04 3.02 -1.03 -2.18 115.26 114.63 3i04 n ASN 576 Ca 0.14 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 3i04 n ASN 576 Cb 0.60 -4.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 3i04 n ASN 576 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i04 n ARG 577 N -4.25 0.00 0.19 3.52 1.74 0.17 -4.83 116.66 113.20 3i04 n ARG 577 Ca -0.05 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.10 3i04 n ARG 577 Cb 0.57 -3.61 0.19 0.00 -1.02 0.00 0.00 32.46 28.60 3i04 n ARG 577 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3i04 h ASN 578 N 0.00 0.00 -4.21 0.55 4.21 -1.63 -3.45 115.58 111.05 3i04 h ASN 578 Ca 0.00 0.00 -0.44 0.00 1.21 0.00 0.00 56.30 57.07 3i04 h ASN 578 Cb 0.00 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.00 3i04 h ASN 578 CO 0.00 0.28 -0.78 -0.76 -1.29 0.00 0.00 177.43 174.88 3i04 s LEU 579 N -6.46 2.34 0.00 1.61 2.01 -1.26 -5.10 118.68 111.83 3i04 s LEU 579 Ca 0.04 -0.72 0.00 0.00 0.01 0.00 0.00 54.13 53.45 3i04 s LEU 579 Cb 0.08 -0.59 0.00 0.00 0.01 0.00 0.00 46.19 45.68 3i04 s LEU 579 CO 0.69 -0.09 0.59 -1.84 1.01 0.00 0.00 176.35 176.72 3i04 n GLU 580 N 0.87 0.00 -3.60 1.70 0.28 -1.26 -3.33 120.64 115.30 3i04 n GLU 580 Ca -0.18 -0.37 -0.05 0.00 -0.16 0.00 0.00 57.16 56.40 3i04 n GLU 580 Cb 0.55 -0.21 -0.07 0.00 1.43 0.00 0.00 31.44 33.15 3i04 n GLU 580 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3i04 s GLN 581 N 0.00 0.43 -0.02 3.44 -1.52 -1.26 -4.86 119.66 115.87 3i04 s GLN 581 Ca 0.00 1.15 0.07 0.00 -1.95 0.00 0.00 55.36 54.63 3i04 s GLN 581 Cb 0.00 0.49 -0.02 0.00 -0.22 0.00 0.00 33.01 33.26 3i04 s GLN 581 CO 0.00 -0.28 -0.22 0.54 -0.25 0.00 0.00 175.29 175.08 3i04 s VAL 582 N 2.73 1.70 -0.38 1.09 0.11 -1.26 -4.84 120.40 119.55 3i04 s VAL 582 Ca -0.01 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 3i04 s VAL 582 Cb -0.12 -1.41 0.11 0.00 -1.53 0.00 0.00 36.38 33.42 3i04 s VAL 582 CO -0.16 0.48 0.10 0.00 -3.33 0.00 0.00 175.10 172.20 3i04 n LEU 584 N 4.05 0.00 0.00 0.00 4.77 -0.93 -2.43 117.00 122.46 3i04 n LEU 584 Ca 0.04 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3i04 n LEU 584 Cb 0.40 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3i04 n LEU 584 CO 0.25 -0.19 0.30 -1.22 -1.33 0.00 0.00 177.39 175.20 3i04 n TYR 585 N -1.26 0.00 -4.41 -1.77 0.53 -1.25 -4.90 117.16 104.10 3i04 n TYR 585 Ca 0.04 -0.17 -0.24 0.00 -1.02 0.00 0.00 57.90 56.50 3i04 n TYR 585 Cb 0.06 -0.02 -0.09 0.00 -1.03 0.00 0.00 39.34 38.26 3i04 n TYR 585 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3i04 s THR 586 N -0.35 2.73 -0.15 -0.72 -4.23 -1.02 -2.92 115.64 108.98 3i04 s THR 586 Ca 0.00 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.34 3i04 s THR 586 Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3i04 s THR 586 CO 0.00 -0.35 0.14 -0.11 -0.54 0.00 0.00 174.62 173.76 3i04 n LEU 587 N -0.75 0.15 -0.03 4.79 7.94 -1.26 -4.64 117.00 123.20 3i04 n LEU 587 Ca -0.05 -0.48 0.03 0.00 -1.11 0.00 0.00 56.01 54.40 3i04 n LEU 587 Cb 0.60 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.41 3i04 n LEU 587 CO 0.40 0.04 -0.78 0.23 -1.11 0.00 0.00 177.39 176.16 3i04 n MET 588 N -1.10 0.66 -3.77 1.96 2.81 -1.26 -0.41 117.12 116.02 3i04 n MET 588 Ca 0.01 -0.08 -0.14 0.00 -1.81 0.00 0.00 57.70 55.68 3i04 n MET 588 Cb 0.05 -1.57 -0.15 0.00 -0.71 0.00 0.00 33.22 30.84 3i04 n MET 588 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i04 s GLU 589 N -3.13 0.04 -1.29 0.03 2.12 -1.26 -4.59 118.70 110.61 3i04 s GLU 589 Ca -0.08 0.27 -0.14 0.00 0.36 0.00 0.00 54.97 55.39 3i04 s GLU 589 Cb 0.11 -0.19 0.13 0.00 0.26 0.00 0.00 34.13 34.44 3i04 s GLU 589 CO 0.87 -0.15 0.47 0.09 -0.54 0.00 0.00 175.26 175.99 3i04 n ASN 590 N 4.09 -2.47 -4.57 -1.70 3.02 -1.26 -4.49 115.26 107.88 3i04 n ASN 590 Ca -0.26 -0.59 -0.29 0.00 -0.03 0.00 0.00 54.58 53.41 3i04 n ASN 590 Cb 0.52 -2.11 0.21 0.00 -0.61 0.00 0.00 39.78 37.79 3i04 n ASN 590 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3i04 s PRO 591 N -6.35 -0.10 0.46 3.52 0.02 -1.26 -2.45 135.00 128.83 3i04 s PRO 591 Ca 0.52 1.07 -0.25 0.00 0.02 0.00 0.00 61.00 62.36 3i04 s PRO 591 Cb -0.29 -1.63 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 3i04 s PRO 591 CO 0.63 -3.24 1.39 1.41 -0.33 0.00 0.00 177.00 176.86 3i04 s MET 592 N -4.57 3.66 0.48 5.54 1.75 -1.26 -4.79 119.30 120.11 3i04 s MET 592 Ca 0.67 2.34 -0.15 0.00 -1.25 0.00 0.00 55.69 57.30 3i04 s MET 592 Cb -0.24 -2.61 -0.08 0.00 2.84 0.00 0.00 34.83 34.74 3i04 s MET 592 CO 0.62 -0.81 0.93 0.95 -0.65 0.00 0.00 175.02 176.06 3i04 s THR 593 N -1.23 4.58 -0.05 10.11 -4.23 -1.26 -4.76 115.64 118.80 3i04 s THR 593 Ca 0.62 1.10 0.04 0.00 -1.18 0.00 0.00 61.69 62.27 3i04 s THR 593 Cb -0.42 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 69.68 3i04 s THR 593 CO 0.54 -0.63 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.40 3i04 s SER 594 N -3.03 3.94 -0.12 3.99 0.01 -1.26 -4.90 113.70 112.33 3i04 s SER 594 Ca 0.57 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 57.44 3i04 s SER 594 Cb -0.10 -0.84 -0.15 0.00 0.21 0.00 0.00 66.02 65.15 3i04 s SER 594 CO 0.30 0.34 0.43 0.00 0.41 0.00 0.00 173.24 174.72 3i04 n GLY 596 N 1.68 -0.02 1.03 0.00 0.00 -1.26 -0.96 105.19 105.66 3i04 n GLY 596 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3i04 n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n PHE 598 N 1.23 1.09 0.09 0.00 1.16 -1.26 -4.36 117.46 115.41 3i04 n PHE 598 Ca 0.18 0.73 -0.04 0.00 -1.87 0.00 0.00 57.45 56.45 3i04 n PHE 598 Cb 0.54 -2.22 -0.02 0.00 -1.61 0.00 0.00 39.48 36.16 3i04 n PHE 598 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 3i04 h GLU 599 N 1.97 0.00 -3.82 3.97 5.08 -1.58 -3.43 114.58 116.77 3i04 h GLU 599 Ca -0.39 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 3i04 h GLU 599 Cb 1.35 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.44 3i04 h GLU 599 CO 0.61 0.81 -0.47 0.00 -1.00 0.00 0.00 179.01 178.96 3i04 s ALA 600 N -2.94 -0.10 -0.03 3.43 0.00 -0.89 -0.64 121.76 120.58 3i04 s ALA 600 Ca 0.01 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3i04 s ALA 600 Cb 0.10 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.56 3i04 s ALA 600 CO 0.79 -0.40 -0.11 0.42 0.00 0.00 0.00 175.76 176.46 3i04 s ILE 601 N -3.20 0.97 -0.16 0.00 1.01 0.11 -1.40 121.20 118.53 3i04 s ILE 601 Ca -0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 3i04 s ILE 601 Cb 0.02 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 3i04 s ILE 601 CO -0.07 0.30 0.15 -0.04 0.00 0.00 0.00 174.94 175.28 3i04 s MET 602 N 0.20 3.92 -0.04 2.79 -1.94 0.16 -1.99 119.30 122.41 3i04 s MET 602 Ca -0.04 -0.15 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 3i04 s MET 602 Cb -0.10 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.43 3i04 s MET 602 CO 0.01 0.48 -0.05 0.00 -0.01 0.00 0.00 175.02 175.45 3i04 s ALA 603 N -0.17 0.66 0.19 3.03 0.00 -0.47 -2.16 121.76 122.84 3i04 s ALA 603 Ca 0.11 -0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 3i04 s ALA 603 Cb -0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 3i04 s ALA 603 CO 0.01 0.01 1.48 0.96 0.00 0.00 0.00 175.76 178.21 3i04 s ILE 604 N 0.84 2.79 -0.76 0.00 -4.36 -0.77 -0.20 121.20 118.74 3i04 s ILE 604 Ca -0.11 0.60 0.03 0.00 -0.26 0.00 0.00 60.65 60.91 3i04 s ILE 604 Cb -0.14 -3.38 0.21 0.00 1.25 0.00 0.00 42.46 40.40 3i04 s ILE 604 CO 0.00 0.07 0.69 0.18 0.24 0.00 0.00 174.94 176.12 3i04 n LEU 605 N 3.35 3.71 0.05 0.37 4.77 -0.96 -4.85 117.00 123.44 3i04 n LEU 605 Ca 0.11 -5.26 -0.00 0.00 -0.03 0.00 0.00 56.01 50.83 3i04 n LEU 605 Cb 0.40 -0.85 0.30 0.00 -2.33 0.00 0.00 43.42 40.94 3i04 n LEU 605 CO 0.60 1.78 0.85 1.55 -1.33 0.00 0.00 177.39 180.84 3i04 h PRO 606 N 5.22 0.40 0.00 3.23 0.13 -1.93 0.28 132.00 139.33 3i04 h PRO 606 Ca 0.17 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3i04 h PRO 606 Cb 0.73 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3i04 h PRO 606 CO 0.82 0.54 0.00 -1.91 -0.23 0.00 0.00 178.00 177.22 3i04 n GLU 607 N -4.22 0.00 0.00 0.86 2.13 -1.26 -1.56 120.64 116.60 3i04 n GLU 607 Ca 0.00 0.46 0.01 0.00 0.66 0.00 0.00 57.16 58.29 3i04 n GLU 607 Cb 0.31 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.53 3i04 n GLU 607 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i04 n ASN 609 N 0.06 0.00 0.00 0.00 4.13 -0.58 -4.42 115.26 114.44 3i04 n ASN 609 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 3i04 n ASN 609 Cb 0.04 -1.37 0.00 0.00 -1.54 0.00 0.00 39.78 36.91 3i04 n ASN 609 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i04 n GLY 610 N -2.00 5.09 3.22 7.41 0.00 -1.18 -4.72 105.19 113.00 3i04 n GLY 610 Ca 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 3i04 n GLY 610 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i04 s ILE 611 N 3.60 0.04 0.16 -0.61 -4.36 0.14 -2.27 121.20 117.91 3i04 s ILE 611 Ca 0.00 -1.90 0.10 0.00 -0.26 0.00 0.00 60.65 58.60 3i04 s ILE 611 Cb 0.00 -2.29 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 3i04 s ILE 611 CO 0.00 -0.17 -0.23 0.00 0.24 0.00 0.00 174.94 174.77 3i04 s MET 612 N -4.10 1.40 0.08 0.37 0.23 0.72 -1.11 119.30 116.89 3i04 s MET 612 Ca 0.32 -1.42 0.10 0.00 -1.03 0.00 0.00 55.69 53.65 3i04 s MET 612 Cb 0.06 -1.71 -0.03 0.00 -1.53 0.00 0.00 34.83 31.62 3i04 s MET 612 CO 0.08 0.38 -0.26 0.42 -2.03 0.00 0.00 175.02 173.61 3i04 s ILE 613 N -1.54 2.25 0.05 3.16 1.01 -0.52 -1.37 121.20 124.24 3i04 s ILE 613 Ca 0.17 -1.53 0.01 0.00 0.00 0.00 0.00 60.65 59.29 3i04 s ILE 613 Cb -0.08 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3i04 s ILE 613 CO 0.08 0.24 -0.05 0.28 0.00 0.00 0.00 174.94 175.49 3i04 s THR 614 N -0.93 0.35 0.32 2.92 -1.32 -0.84 -4.06 115.64 112.08 3i04 s THR 614 Ca 0.13 -1.41 0.09 0.00 -1.21 0.00 0.00 61.69 59.29 3i04 s THR 614 Cb -0.10 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.86 3i04 s THR 614 CO 0.04 -0.70 0.05 0.42 -2.21 0.00 0.00 174.62 172.22 3i04 s THR 615 N -2.59 2.99 0.49 5.08 -4.23 -1.26 0.05 115.64 116.17 3i04 s THR 615 Ca -0.02 -1.87 0.20 0.00 -1.18 0.00 0.00 61.69 58.82 3i04 s THR 615 Cb -0.02 -2.86 0.37 0.00 1.34 0.00 0.00 72.50 71.33 3i04 s THR 615 CO -0.04 -0.25 1.98 -0.09 -0.54 0.00 0.00 174.62 175.68 3i04 h ARG 616 N 1.75 0.17 0.00 3.99 2.43 -1.14 -1.04 114.38 120.54 3i04 h ARG 616 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i04 h ARG 616 Cb 1.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3i04 h ARG 616 CO 0.64 0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.96 3i04 n ASP 617 N -4.43 0.69 -4.57 -3.80 8.00 -1.26 -4.78 116.55 106.40 3i04 n ASP 617 Ca 0.10 0.60 -0.40 0.00 0.71 0.00 0.00 54.79 55.80 3i04 n ASP 617 Cb 0.51 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 40.75 3i04 n ASP 617 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i04 s HIS 618 N -3.16 3.22 0.04 1.24 2.46 -0.40 -4.96 115.29 113.74 3i04 s HIS 618 Ca 0.09 0.16 -0.02 0.00 0.47 0.00 0.00 55.06 55.76 3i04 s HIS 618 Cb 0.12 -2.66 -0.27 0.00 -0.13 0.00 0.00 32.58 29.64 3i04 s HIS 618 CO 0.51 -0.36 1.01 0.00 -2.47 0.00 0.00 174.74 173.43 3i04 h ALA 619 N 8.36 0.23 -2.28 1.58 0.00 -1.86 -3.39 119.26 121.90 3i04 h ALA 619 Ca -0.30 -1.01 -0.50 0.00 0.00 0.00 0.00 54.91 53.09 3i04 h ALA 619 Cb 1.15 0.13 0.17 0.00 0.00 0.00 0.00 17.79 19.24 3i04 h ALA 619 CO 0.68 1.10 0.24 0.20 0.00 0.00 0.00 179.25 181.47 3i04 s GLY 620 N -4.81 1.66 0.26 0.00 0.00 -1.26 -4.77 107.32 98.40 3i04 s GLY 620 Ca -0.06 0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 3i04 s GLY 620 CO 0.86 0.75 1.33 1.06 0.00 0.00 0.00 173.10 177.11 3i04 s MET 621 N -4.76 4.36 0.29 2.90 -1.94 -1.26 -4.51 119.30 114.38 3i04 s MET 621 Ca 0.65 2.15 0.06 0.00 -1.71 0.00 0.00 55.69 56.84 3i04 s MET 621 Cb -0.20 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.48 3i04 s MET 621 CO 0.58 -0.25 0.39 0.95 -0.01 0.00 0.00 175.02 176.68 3i04 s THR 622 N -0.38 4.59 -0.61 2.05 -4.23 -0.86 -4.68 115.64 111.51 3i04 s THR 622 Ca 0.54 -1.05 0.17 0.00 -1.18 0.00 0.00 61.69 60.17 3i04 s THR 622 Cb -0.39 -3.59 0.17 0.00 1.34 0.00 0.00 72.50 70.03 3i04 s THR 622 CO 0.44 -0.25 1.52 -2.65 -0.54 0.00 0.00 174.62 173.14 3i04 n PRO 623 N -1.48 0.10 0.00 3.99 -0.02 0.07 -1.36 135.00 136.30 3i04 n PRO 623 Ca -0.05 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3i04 n PRO 623 Cb 0.58 -1.75 0.48 0.00 -0.02 0.00 0.00 33.50 32.79 3i04 n PRO 623 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i04 n SER 624 N -1.95 0.00 0.00 2.55 3.41 -1.26 -4.13 113.62 112.23 3i04 n SER 624 Ca 0.01 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3i04 n SER 624 Cb 0.13 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3i04 n SER 624 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i04 n GLY 625 N 0.07 0.61 3.18 5.00 0.00 -0.46 -5.03 105.19 108.57 3i04 n GLY 625 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3i04 n GLY 625 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i04 s MET 626 N -0.19 0.86 0.49 1.61 -1.94 -1.24 -4.89 119.30 114.00 3i04 s MET 626 Ca 0.00 -1.12 0.01 0.00 -1.71 0.00 0.00 55.69 52.88 3i04 s MET 626 Cb 0.00 -0.66 0.01 0.00 2.01 0.00 0.00 34.83 36.19 3i04 s MET 626 CO 0.00 0.12 0.71 0.95 -0.01 0.00 0.00 175.02 176.79 3i04 s THR 627 N -2.09 3.37 0.20 2.05 -4.23 -1.26 -2.03 115.64 111.64 3i04 s THR 627 Ca 0.04 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.76 3i04 s THR 627 Cb -0.05 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.70 3i04 s THR 627 CO 0.01 -0.17 1.58 0.15 -0.54 0.00 0.00 174.62 175.65 3i04 h PHE 628 N 0.27 -0.90 -0.64 3.99 3.57 -1.79 0.74 116.94 122.17 3i04 h PHE 628 Ca -0.44 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 3i04 h PHE 628 Cb 1.27 0.50 -0.03 0.00 2.79 0.00 0.00 35.95 40.48 3i04 h PHE 628 CO 0.41 -0.38 0.39 0.77 -2.23 0.00 0.00 178.31 177.28 3i04 h SER 629 N -0.12 0.76 0.38 0.41 0.02 -1.93 0.38 113.55 113.44 3i04 h SER 629 Ca 0.26 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3i04 h SER 629 Cb 0.56 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3i04 h SER 629 CO -0.74 0.59 -0.18 0.74 -1.14 0.00 0.00 176.83 176.10 3i04 h THR 630 N 0.87 0.62 -0.78 -2.27 2.02 -1.70 -0.24 112.91 111.43 3i04 h THR 630 Ca 0.23 -0.36 0.18 0.00 0.77 0.00 0.00 66.41 67.22 3i04 h THR 630 Cb -0.04 0.80 -0.14 0.00 -1.74 0.00 0.00 68.15 67.04 3i04 h THR 630 CO -0.04 0.07 0.01 -0.07 0.37 0.00 0.00 175.52 175.85 3i04 h LEU 631 N -0.72 -0.36 -1.40 2.58 4.07 -0.62 0.75 115.31 119.61 3i04 h LEU 631 Ca -0.05 0.20 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 3i04 h LEU 631 Cb 0.50 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 3i04 h LEU 631 CO 0.08 -0.19 0.14 0.00 -1.08 0.00 0.00 178.44 177.40 3i04 h ALA 632 N 1.73 1.53 -0.49 1.53 0.00 -0.06 -1.63 119.26 121.87 3i04 h ALA 632 Ca 0.43 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3i04 h ALA 632 Cb 0.76 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3i04 h ALA 632 CO -0.69 0.37 0.21 0.78 0.00 0.00 0.00 179.25 179.92 3i04 h GLY 633 N 0.72 0.66 1.35 0.00 0.00 0.10 -2.48 103.07 103.42 3i04 h GLY 633 Ca 0.13 -0.13 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 3i04 h GLY 633 CO -0.01 0.06 -1.44 0.00 0.00 0.00 0.00 176.54 175.15 3i04 h MET 634 N 0.41 0.38 0.04 4.80 -0.00 -1.23 -3.38 114.93 115.95 3i04 h MET 634 Ca 0.22 -0.65 -0.23 0.00 -0.00 0.00 0.00 59.70 59.05 3i04 h MET 634 Cb 0.19 0.24 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 3i04 h MET 634 CO -0.19 1.29 -1.03 -0.84 -0.00 0.00 0.00 176.91 176.14 3i04 h ILE 635 N 0.10 1.54 -3.73 -0.10 3.07 -1.34 -3.46 117.51 113.60 3i04 h ILE 635 Ca -0.22 -2.94 -0.41 0.00 1.55 0.00 0.00 64.86 62.85 3i04 h ILE 635 Cb 2.07 2.71 0.17 0.00 -0.27 0.00 0.00 36.82 41.49 3i04 h ILE 635 CO 0.22 0.85 0.39 0.61 -1.05 0.00 0.00 178.15 179.18 3i04 n GLY 636 N 1.20 -1.50 2.48 0.16 0.00 -0.94 -4.13 105.19 102.47 3i04 n GLY 636 Ca -0.04 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 3i04 n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 637 N -3.20 0.04 2.40 -0.02 0.00 -0.13 -3.93 105.19 100.34 3i04 n GLY 637 Ca 0.16 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3i04 n GLY 637 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 638 N -1.18 0.37 3.78 -0.02 0.00 -0.94 -4.61 105.19 102.60 3i04 n GLY 638 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3i04 n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i04 s THR 639 N -2.74 5.13 -0.44 2.61 -4.23 -1.25 -4.99 115.64 109.72 3i04 s THR 639 Ca 0.00 0.82 -0.17 0.00 -1.18 0.00 0.00 61.69 61.16 3i04 s THR 639 Cb 0.00 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.15 3i04 s THR 639 CO 0.00 0.47 0.45 -1.58 -0.54 0.00 0.00 174.62 173.42 3i04 s GLN 640 N -0.32 3.07 -0.59 3.99 0.74 -1.26 -4.45 119.66 120.84 3i04 s GLN 640 Ca 0.23 -0.90 0.03 0.00 0.05 0.00 0.00 55.36 54.77 3i04 s GLN 640 Cb -0.16 -4.02 0.15 0.00 1.10 0.00 0.00 33.01 30.08 3i04 s GLN 640 CO 0.11 -0.93 0.35 0.95 -0.55 0.00 0.00 175.29 175.22 3i04 s THR 641 N 2.09 2.87 0.10 -0.34 -4.23 -1.26 -5.04 115.64 109.84 3i04 s THR 641 Ca 0.11 -3.50 -0.35 0.00 -1.18 0.00 0.00 61.69 56.76 3i04 s THR 641 Cb -0.19 -2.94 -0.18 0.00 1.34 0.00 0.00 72.50 70.53 3i04 s THR 641 CO 0.12 -0.86 1.03 -2.65 -0.54 0.00 0.00 174.62 171.71 3i04 n PRO 642 N 2.88 0.49 -0.36 3.99 -0.02 -1.26 -1.08 135.00 139.65 3i04 n PRO 642 Ca 0.09 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3i04 n PRO 642 Cb 0.34 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3i04 n PRO 642 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i04 n GLY 643 N 1.87 1.32 2.81 -1.23 0.00 0.46 -5.02 105.19 105.40 3i04 n GLY 643 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3i04 n GLY 643 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i04 s PHE 644 N -3.00 -0.01 -0.16 1.61 0.40 -0.24 -1.85 117.98 114.73 3i04 s PHE 644 Ca 0.00 0.19 -0.14 0.00 -0.60 0.00 0.00 56.93 56.37 3i04 s PHE 644 Cb 0.00 -0.18 0.04 0.00 0.51 0.00 0.00 43.02 43.39 3i04 s PHE 644 CO 0.00 -0.09 0.42 1.41 0.70 0.00 0.00 175.22 177.66 3i04 s MET 645 N 0.97 0.49 -0.22 0.44 1.75 -0.92 -4.46 119.30 117.34 3i04 s MET 645 Ca -0.08 0.59 -0.12 0.00 -1.25 0.00 0.00 55.69 54.83 3i04 s MET 645 Cb -0.11 0.23 -0.05 0.00 2.84 0.00 0.00 34.83 37.74 3i04 s MET 645 CO -0.03 -0.06 0.23 0.20 -0.65 0.00 0.00 175.02 174.71 3i04 s GLY 646 N 0.26 2.03 0.17 2.11 0.00 -1.26 0.40 107.32 111.02 3i04 s GLY 646 Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 3i04 s GLY 646 CO 0.00 0.50 0.15 -0.26 0.00 0.00 0.00 173.10 173.49 3i04 s ILE 647 N 1.05 0.06 0.87 0.90 -5.25 -0.49 -4.77 121.20 113.58 3i04 s ILE 647 Ca 0.11 -1.81 -0.10 0.00 -0.99 0.00 0.00 60.65 57.86 3i04 s ILE 647 Cb -0.14 -2.16 0.12 0.00 2.95 0.00 0.00 42.46 43.24 3i04 s ILE 647 CO 0.05 -0.26 1.14 -0.83 -1.79 0.00 0.00 174.94 173.24 3i04 s GLY 648 N -3.07 1.71 0.15 6.27 0.00 -1.02 -2.11 107.32 109.26 3i04 s GLY 648 Ca 0.27 0.53 0.07 0.00 0.00 0.00 0.00 44.72 45.59 3i04 s GLY 648 CO 0.05 0.93 1.35 3.21 0.00 0.00 0.00 173.10 178.63 3i04 h ARG 649 N -1.63 0.02 -0.05 2.90 3.08 -1.93 -3.23 114.38 113.54 3i04 h ARG 649 Ca -0.43 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.61 3i04 h ARG 649 Cb 1.26 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 3i04 h ARG 649 CO 0.44 0.93 0.06 1.15 -1.07 0.00 0.00 179.97 181.48 3i04 h THR 650 N 0.01 0.46 0.00 2.04 2.02 -1.98 -1.56 112.91 113.90 3i04 h THR 650 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3i04 h THR 650 Cb 1.63 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 3i04 h THR 650 CO 0.12 0.00 -0.34 0.22 0.37 0.00 0.00 175.52 175.89 3i04 h TYR 651 N 0.00 0.00 -0.41 3.16 3.20 -1.91 -2.75 116.97 118.27 3i04 h TYR 651 Ca 0.02 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3i04 h TYR 651 Cb 0.15 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3i04 h TYR 651 CO 0.00 0.34 -0.01 0.82 -1.64 0.00 0.00 178.16 177.67 3i04 h ILE 652 N 0.00 1.22 -0.59 1.81 2.04 -1.46 -2.42 117.51 118.11 3i04 h ILE 652 Ca -0.00 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3i04 h ILE 652 Cb 0.94 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3i04 h ILE 652 CO 0.04 0.32 0.00 1.33 0.00 0.00 0.00 178.15 179.84 3i04 n VAL 653 N -4.24 0.94 -2.54 1.67 0.24 -1.04 -4.81 118.33 108.54 3i04 n VAL 653 Ca 0.02 -0.84 -0.34 0.00 -2.04 0.00 0.00 64.34 61.15 3i04 n VAL 653 Cb 0.28 0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 32.95 3i04 n VAL 653 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i04 s SER 654 N -0.97 6.43 0.20 -1.34 0.15 -0.91 -4.96 113.70 112.30 3i04 s SER 654 Ca 0.41 1.84 -0.07 0.00 0.70 0.00 0.00 55.95 58.83 3i04 s SER 654 Cb 0.22 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 62.12 3i04 s SER 654 CO 0.26 -0.72 1.67 0.11 1.20 0.00 0.00 173.24 175.76 3i04 h LYS 655 N 1.47 1.00 -2.53 5.44 1.57 -1.87 -3.27 116.57 118.38 3i04 h LYS 655 Ca -0.49 -0.31 -0.70 0.00 -1.87 0.00 0.00 60.65 57.28 3i04 h LYS 655 Cb 1.21 -0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.29 3i04 h LYS 655 CO 0.59 0.98 2.12 1.63 -0.57 0.00 0.00 179.45 184.21 3i04 n LYS 656 N -4.18 4.27 -4.04 3.15 4.76 -1.26 -4.82 118.16 116.03 3i04 n LYS 656 Ca 0.03 -3.28 -0.32 0.00 -2.87 0.00 0.00 58.31 51.87 3i04 n LYS 656 Cb 0.34 -2.56 -0.15 0.00 -1.84 0.00 0.00 35.03 30.82 3i04 n LYS 656 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3i04 s PHE 657 N -1.21 3.35 -1.29 2.13 2.19 -1.24 -4.64 117.98 117.28 3i04 s PHE 657 Ca 0.55 -2.50 0.00 0.00 0.33 0.00 0.00 56.93 55.31 3i04 s PHE 657 Cb 0.21 -2.22 0.00 0.00 -1.31 0.00 0.00 43.02 39.71 3i04 s PHE 657 CO -0.11 -0.90 0.00 -0.89 1.83 0.00 0.00 175.22 175.15 3i04 n ILE 658 N 4.39 -0.01 0.23 3.12 5.41 -1.25 -3.62 119.36 127.63 3i04 n ILE 658 Ca -0.08 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.83 3i04 n ILE 658 Cb 0.42 -1.38 0.83 0.00 -0.71 0.00 0.00 39.64 38.80 3i04 n ILE 658 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3i04 h SER 659 N 0.00 0.00 0.43 4.38 4.64 -1.81 0.65 113.55 121.83 3i04 h SER 659 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3i04 h SER 659 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3i04 h SER 659 CO 0.37 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 176.06 3i04 n ALA 660 N -2.37 3.05 0.21 5.18 0.00 -1.15 -3.94 120.51 121.50 3i04 n ALA 660 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.16 3i04 n ALA 660 Cb 0.24 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 3i04 n ALA 660 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i04 n ASP 661 N -1.07 1.56 0.00 0.00 8.00 0.20 -5.01 116.55 120.23 3i04 n ASP 661 Ca 0.10 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.21 3i04 n ASP 661 Cb 0.32 1.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.58 3i04 n ASP 661 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i04 n GLY 662 N 1.55 0.20 7.00 0.44 0.00 0.04 -4.95 105.19 109.47 3i04 n GLY 662 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i04 n GLY 662 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 663 N 0.00 0.94 0.42 -0.02 0.00 -0.44 -3.55 105.19 102.54 3i04 n GLY 663 Ca 0.00 -0.67 0.22 0.00 0.00 0.00 0.00 46.02 45.57 3i04 n GLY 663 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i04 h ILE 664 N 0.00 0.25 0.00 -0.61 -0.00 -1.88 0.25 117.51 115.53 3i04 h ILE 664 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3i04 h ILE 664 Cb 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 37.29 3i04 h ILE 664 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.15 178.15 3i04 n ALA 665 N -2.29 2.32 1.41 0.16 0.00 -1.23 -2.59 120.51 118.28 3i04 n ALA 665 Ca 0.11 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.60 3i04 n ALA 665 Cb 0.86 -1.46 0.73 0.00 0.00 0.00 0.00 19.45 19.58 3i04 n ALA 665 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i04 n ARG 666 N -1.46 0.44 -2.83 0.00 5.12 0.08 -4.41 116.66 113.60 3i04 n ARG 666 Ca 0.08 -0.03 -0.43 0.00 -1.93 0.00 0.00 57.85 55.54 3i04 n ARG 666 Cb 0.31 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.07 3i04 n ARG 666 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i04 s ILE 667 N -2.58 4.39 -0.47 0.55 1.01 -1.07 0.28 121.20 123.32 3i04 s ILE 667 Ca 0.28 0.32 0.12 0.00 0.00 0.00 0.00 60.65 61.37 3i04 s ILE 667 Cb 0.20 -4.54 -0.15 0.00 0.01 0.00 0.00 42.46 37.99 3i04 s ILE 667 CO 0.47 -1.10 0.47 1.33 0.00 0.00 0.00 174.94 176.11 3i04 n VAL 668 N 6.22 0.00 -3.80 2.92 0.24 -0.27 -4.74 118.33 118.90 3i04 n VAL 668 Ca 0.02 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 3i04 n VAL 668 Cb 0.48 0.83 -0.13 0.00 -1.47 0.00 0.00 33.84 33.55 3i04 n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3i04 s TRP 669 N -2.32 -0.21 -0.23 6.34 -0.00 -1.19 -2.52 118.94 118.82 3i04 s TRP 669 Ca 0.03 0.51 -0.24 0.00 -0.00 0.00 0.00 56.10 56.40 3i04 s TRP 669 Cb 0.09 0.05 0.07 0.00 -0.00 0.00 0.00 33.47 33.68 3i04 s TRP 669 CO 0.51 -0.12 0.68 1.41 -0.00 0.00 0.00 176.95 179.43 3i04 s MET 670 N 0.32 0.83 0.32 5.86 1.75 -0.95 -1.44 119.30 125.98 3i04 s MET 670 Ca -0.02 0.84 -0.29 0.00 -1.25 0.00 0.00 55.69 54.97 3i04 s MET 670 Cb -0.03 0.40 -0.11 0.00 2.84 0.00 0.00 34.83 37.93 3i04 s MET 670 CO -0.01 -0.13 1.51 -2.14 -0.65 0.00 0.00 175.02 173.60 3i04 s PRO 671 N 0.14 4.16 0.39 4.11 0.02 -1.26 -4.41 135.00 138.15 3i04 s PRO 671 Ca -0.02 2.51 0.17 0.00 0.02 0.00 0.00 61.00 63.68 3i04 s PRO 671 Cb -0.04 -3.02 1.05 0.00 0.02 0.00 0.00 34.50 32.51 3i04 s PRO 671 CO 0.02 -0.53 1.78 0.87 -0.33 0.00 0.00 177.00 178.81 3i04 h LYS 672 N 4.15 0.43 -0.16 5.54 1.57 -1.97 0.36 116.57 126.50 3i04 h LYS 672 Ca -0.48 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.32 3i04 h LYS 672 Cb 1.23 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3i04 h LYS 672 CO 0.73 0.28 0.12 0.66 -0.57 0.00 0.00 179.45 180.68 3i04 h SER 673 N 0.44 0.00 0.06 0.86 4.64 -1.99 -0.83 113.55 116.74 3i04 h SER 673 Ca 0.58 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.73 3i04 h SER 673 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3i04 h SER 673 CO -0.30 0.00 -0.87 0.25 -0.87 0.00 0.00 176.83 175.04 3i04 h LEU 674 N 0.00 0.20 -0.83 5.97 5.85 -0.68 -2.00 115.31 123.82 3i04 h LEU 674 Ca 0.08 -0.84 0.10 0.00 0.84 0.00 0.00 57.88 58.06 3i04 h LEU 674 Cb 0.32 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.16 3i04 h LEU 674 CO -0.00 1.37 -0.51 0.11 -0.34 0.00 0.00 178.44 179.07 3i04 h LYS 675 N -0.68 -0.10 -0.03 1.25 1.79 -1.18 -1.29 116.57 116.34 3i04 h LYS 675 Ca -0.20 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.21 3i04 h LYS 675 Cb 1.42 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.08 3i04 h LYS 675 CO -0.00 -0.06 -0.31 -0.44 -1.08 0.00 0.00 179.45 177.55 3i04 h ASP 676 N -0.10 0.06 -0.14 0.86 3.32 -1.25 0.26 116.42 119.42 3i04 h ASP 676 Ca 0.20 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 3i04 h ASP 676 Cb 0.51 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3i04 h ASP 676 CO -0.85 0.37 -0.48 0.15 -1.72 0.00 0.00 179.24 176.71 3i04 h PHE 677 N 0.05 0.87 -0.12 4.55 3.57 -0.58 -3.33 116.94 121.95 3i04 h PHE 677 Ca 0.01 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.22 3i04 h PHE 677 Cb 0.58 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3i04 h PHE 677 CO 0.00 1.05 0.00 1.28 -2.23 0.00 0.00 178.31 178.41 3i04 n LEU 678 N -4.01 2.31 -0.37 0.59 4.77 -0.56 -4.78 117.00 114.96 3i04 n LEU 678 Ca -0.03 -1.28 0.28 0.00 -0.03 0.00 0.00 56.01 54.95 3i04 n LEU 678 Cb 0.58 -0.07 0.55 0.00 -2.33 0.00 0.00 43.42 42.15 3i04 n LEU 678 CO 0.48 0.48 1.20 -0.74 -1.33 0.00 0.00 177.39 177.48 3i04 h HIS 679 N 2.37 0.68 0.30 -1.77 2.76 -1.05 0.20 115.15 118.63 3i04 h HIS 679 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3i04 h HIS 679 Cb 0.58 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.36 3i04 h HIS 679 CO 0.07 -0.09 -0.14 -0.44 -1.30 0.00 0.00 177.93 176.03 3i04 h ASP 680 N 0.27 -0.34 0.18 3.26 3.32 -1.87 -2.75 116.42 118.49 3i04 h ASP 680 Ca 0.71 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.77 3i04 h ASP 680 Cb 1.93 0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.56 3i04 h ASP 680 CO -0.41 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 176.53 3i04 n GLU 681 N -4.64 0.01 -0.07 3.56 4.71 -0.95 -3.05 120.64 120.22 3i04 n GLU 681 Ca -0.05 0.43 -0.06 0.00 -0.01 0.00 0.00 57.16 57.47 3i04 n GLU 681 Cb 0.16 -1.54 -0.12 0.00 -1.01 0.00 0.00 31.44 28.93 3i04 n GLU 681 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3i04 n PHE 682 N -1.56 0.00 -0.23 -0.32 7.35 0.66 -3.44 117.46 119.91 3i04 n PHE 682 Ca 0.01 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.63 3i04 n PHE 682 Cb 0.06 -0.70 0.06 0.00 0.35 0.00 0.00 39.48 39.25 3i04 n PHE 682 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3i04 h VAL 683 N 0.00 1.26 -0.77 -2.13 2.07 -1.48 -2.20 116.25 112.99 3i04 h VAL 683 Ca -0.37 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.17 3i04 h VAL 683 Cb 1.83 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 3i04 h VAL 683 CO 0.02 0.38 0.51 -0.09 0.02 0.00 0.00 177.57 178.41 3i04 h ARG 684 N 1.03 0.93 0.15 1.57 1.12 -1.69 -1.88 114.38 115.62 3i04 h ARG 684 Ca 0.21 -0.06 -0.30 0.00 -1.11 0.00 0.00 59.98 58.73 3i04 h ARG 684 Cb 0.41 -0.21 0.02 0.00 -0.01 0.00 0.00 29.97 30.19 3i04 h ARG 684 CO 0.01 0.62 -1.28 0.00 -3.11 0.00 0.00 179.97 176.21 3i04 h ARG 685 N 0.96 0.48 -0.63 0.20 2.47 -1.57 -2.83 114.38 113.46 3i04 h ARG 685 Ca 0.30 -0.72 0.08 0.00 -1.26 0.00 0.00 59.98 58.39 3i04 h ARG 685 Cb 0.02 0.25 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 3i04 h ARG 685 CO -0.08 1.32 0.29 0.77 0.56 0.00 0.00 179.97 182.83 3i04 h SER 686 N 0.18 0.37 -0.29 7.04 0.02 -0.97 0.47 113.55 120.38 3i04 h SER 686 Ca -0.18 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.71 3i04 h SER 686 Cb 1.97 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.49 3i04 h SER 686 CO 0.23 0.23 -0.21 1.62 -1.14 0.00 0.00 176.83 177.56 3i04 h VAL 687 N 0.52 1.27 -0.22 2.27 3.04 -1.45 0.73 116.25 122.41 3i04 h VAL 687 Ca 0.31 -1.31 -0.08 0.00 -1.01 0.00 0.00 66.70 64.61 3i04 h VAL 687 Cb 0.31 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 3i04 h VAL 687 CO -0.25 0.44 -0.19 -0.08 -1.01 0.00 0.00 177.57 176.48 3i04 h GLU 688 N 0.67 0.39 -0.20 4.17 4.81 -0.92 0.18 114.58 123.68 3i04 h GLU 688 Ca 0.10 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3i04 h GLU 688 Cb 0.72 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3i04 h GLU 688 CO 0.05 0.57 0.00 0.39 -0.73 0.00 0.00 179.01 179.30 3i04 n GLU 689 N -4.18 1.51 -0.44 1.92 4.71 0.15 -4.92 120.64 119.39 3i04 n GLU 689 Ca -0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 57.16 56.36 3i04 n GLU 689 Cb 0.35 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 3i04 n GLU 689 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i04 n GLY 690 N 0.90 0.88 0.16 0.62 0.00 0.65 -4.85 105.19 103.54 3i04 n GLY 690 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3i04 n GLY 690 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i04 h LEU 691 N 0.00 0.00 0.00 0.99 3.38 0.25 -3.46 115.31 116.47 3i04 h LEU 691 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i04 h LEU 691 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i04 h LEU 691 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3i04 n GLY 692 N -0.60 2.35 0.00 0.83 0.00 -1.11 -4.41 105.19 102.25 3i04 n GLY 692 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3i04 n GLY 692 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i04 n GLU 693 N 1.62 0.07 -0.80 1.61 1.02 -1.26 -2.05 120.64 120.85 3i04 n GLU 693 Ca 0.00 0.08 -0.03 0.00 -0.02 0.00 0.00 57.16 57.19 3i04 n GLU 693 Cb 0.00 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.15 3i04 n GLU 693 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i04 n ASP 694 N -1.09 3.44 0.02 1.62 5.75 -1.26 -4.73 116.55 120.30 3i04 n ASP 694 Ca 0.02 -3.45 -0.21 0.00 -0.01 0.00 0.00 54.79 51.14 3i04 n ASP 694 Cb 0.01 -0.66 -0.14 0.00 -1.03 0.00 0.00 41.12 39.31 3i04 n ASP 694 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3i04 h PHE 695 N 1.51 0.46 -0.64 2.11 3.57 -1.62 -3.33 116.94 119.00 3i04 h PHE 695 Ca 0.22 -0.34 0.19 0.00 3.53 0.00 0.00 57.97 61.57 3i04 h PHE 695 Cb 1.87 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.57 3i04 h PHE 695 CO 1.00 1.47 0.47 0.97 -2.23 0.00 0.00 178.31 179.98 3i04 h ILE 696 N -0.35 0.67 0.00 1.41 2.10 -1.85 0.31 117.51 119.79 3i04 h ILE 696 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.69 3i04 h ILE 696 Cb 1.71 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 3i04 h ILE 696 CO 0.08 0.00 0.00 -0.67 -1.08 0.00 0.00 178.15 176.48 3i04 n ASP 697 N -4.32 0.16 0.11 2.19 -0.08 -1.25 -3.39 116.55 109.97 3i04 n ASP 697 Ca 0.12 0.53 0.09 0.00 -1.51 0.00 0.00 54.79 54.03 3i04 n ASP 697 Cb 0.72 -0.57 0.01 0.00 2.34 0.00 0.00 41.12 43.62 3i04 n ASP 697 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3i04 h LYS 698 N 0.00 0.00 -6.28 -0.67 1.57 -0.51 -3.47 116.57 107.22 3i04 h LYS 698 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3i04 h LYS 698 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3i04 h LYS 698 CO 0.00 0.06 0.58 0.42 -0.57 0.00 0.00 179.45 179.94 3i04 s ILE 699 N -3.27 4.68 0.54 1.86 1.01 -1.22 -4.96 121.20 119.84 3i04 s ILE 699 Ca 0.00 1.95 -0.20 0.00 0.00 0.00 0.00 60.65 62.40 3i04 s ILE 699 Cb 0.09 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3i04 s ILE 699 CO 0.78 0.01 1.17 0.00 0.00 0.00 0.00 174.94 176.90 3i04 s ALA 700 N 2.00 2.73 0.20 9.38 0.00 -1.05 -4.85 121.76 130.17 3i04 s ALA 700 Ca 0.50 0.93 -0.00 0.00 0.00 0.00 0.00 51.96 53.39 3i04 s ALA 700 Cb -0.20 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3i04 s ALA 700 CO 0.19 -0.88 0.27 -0.40 0.00 0.00 0.00 175.76 174.94 3i04 n ASP 701 N -1.16 -0.74 -0.16 0.00 5.68 -1.26 -2.23 116.55 116.68 3i04 n ASP 701 Ca 0.11 -2.11 0.23 0.00 -0.50 0.00 0.00 54.79 52.52 3i04 n ASP 701 Cb 0.49 1.40 0.63 0.00 -1.14 0.00 0.00 41.12 42.51 3i04 n ASP 701 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i04 h GLU 702 N 0.00 0.15 0.00 0.11 9.09 -1.78 0.40 114.58 122.55 3i04 h GLU 702 Ca -0.15 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.25 3i04 h GLU 702 Cb 0.68 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 3i04 h GLU 702 CO 0.21 0.10 0.00 1.79 0.05 0.00 0.00 179.01 181.16 3i04 h THR 703 N 0.16 0.00 0.02 -1.06 1.35 -1.96 -3.28 112.91 108.14 3i04 h THR 703 Ca 0.40 -0.48 -0.35 0.00 -0.55 0.00 0.00 66.41 65.43 3i04 h THR 703 Cb 1.35 1.39 -0.05 0.00 -1.73 0.00 0.00 68.15 69.11 3i04 h THR 703 CO -0.07 0.00 -1.97 -0.38 -0.25 0.00 0.00 175.52 172.85 3i04 n ILE 704 N -2.66 1.57 0.00 6.82 -0.00 0.12 -5.10 119.36 120.11 3i04 n ILE 704 Ca 0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.46 3i04 n ILE 704 Cb 0.33 -1.86 0.00 0.00 -0.00 0.00 0.00 39.64 38.11 3i04 n ILE 704 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i04 n GLY 705 N 1.57 0.98 0.00 7.39 0.00 0.02 -4.81 105.19 110.34 3i04 n GLY 705 Ca -0.42 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 44.71 3i04 n GLY 705 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i04 n THR 706 N -0.37 0.00 -4.31 2.61 -2.24 -1.26 -3.92 114.28 104.79 3i04 n THR 706 Ca 0.00 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 3i04 n THR 706 Cb 0.00 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3i04 n THR 706 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i04 s THR 707 N -1.49 2.98 0.23 4.28 -4.23 -1.26 -0.75 115.64 115.40 3i04 s THR 707 Ca 0.01 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 3i04 s THR 707 Cb 0.03 -2.77 0.18 0.00 1.34 0.00 0.00 72.50 71.28 3i04 s THR 707 CO 0.16 -0.30 1.79 0.58 -0.54 0.00 0.00 174.62 176.32 3i04 h VAL 708 N 1.87 0.89 0.00 2.29 2.07 -1.92 -2.71 116.25 118.74 3i04 h VAL 708 Ca -0.43 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3i04 h VAL 708 Cb 1.25 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3i04 h VAL 708 CO 0.63 0.12 0.00 0.47 0.02 0.00 0.00 177.57 178.81 3i04 n ASP 709 N -4.81 0.65 -0.01 0.57 9.92 -1.26 -1.76 116.55 119.85 3i04 n ASP 709 Ca 0.11 0.70 0.09 0.00 -0.53 0.00 0.00 54.79 55.16 3i04 n ASP 709 Cb 0.25 -0.82 -0.13 0.00 -0.64 0.00 0.00 41.12 39.79 3i04 n ASP 709 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3i04 n GLU 710 N -2.26 0.76 -0.12 -1.24 1.02 -1.04 -4.55 120.64 113.21 3i04 n GLU 710 Ca 0.01 -0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 3i04 n GLU 710 Cb 0.17 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 3i04 n GLU 710 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3i04 n ILE 711 N -1.92 1.30 0.11 -3.67 -5.35 -1.07 -4.32 119.36 104.45 3i04 n ILE 711 Ca -0.01 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 61.92 3i04 n ILE 711 Cb 0.41 -1.56 -0.06 0.00 -1.74 0.00 0.00 39.64 36.69 3i04 n ILE 711 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3i04 h LEU 712 N -0.43 -0.81 -1.41 7.28 5.85 -1.63 0.11 115.31 124.28 3i04 h LEU 712 Ca -0.56 0.10 0.34 0.00 0.84 0.00 0.00 57.88 58.60 3i04 h LEU 712 Cb 1.66 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 42.89 3i04 h LEU 712 CO -0.22 -0.37 0.75 -0.65 -0.34 0.00 0.00 178.44 177.61 3i04 h PRO 713 N -0.49 0.24 0.00 5.25 0.11 -1.80 0.47 132.00 135.78 3i04 h PRO 713 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3i04 h PRO 713 Cb 0.53 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3i04 h PRO 713 CO -0.17 0.16 0.00 0.98 -0.21 0.00 0.00 178.00 178.76 3i04 n TYR 714 N -4.63 0.44 1.17 0.65 9.36 -0.19 -3.47 117.16 120.49 3i04 n TYR 714 Ca 0.30 0.13 0.13 0.00 3.32 0.00 0.00 57.90 61.78 3i04 n TYR 714 Cb 1.12 -0.72 0.28 0.00 -0.63 0.00 0.00 39.34 39.39 3i04 n TYR 714 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i04 n LEU 715 N -1.87 2.40 -0.00 2.98 4.77 0.16 -2.59 117.00 122.86 3i04 n LEU 715 Ca 0.06 -0.82 0.06 0.00 -0.03 0.00 0.00 56.01 55.28 3i04 n LEU 715 Cb 0.36 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 3i04 n LEU 715 CO 0.27 0.41 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.86 3i04 n GLU 716 N 0.87 1.95 0.01 3.23 1.02 -1.06 -1.03 120.64 125.63 3i04 n GLU 716 Ca 0.16 -0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.25 3i04 n GLU 716 Cb 0.50 -1.17 -0.10 0.00 -0.02 0.00 0.00 31.44 30.64 3i04 n GLU 716 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3i04 n GLU 717 N -1.54 0.63 0.02 3.49 2.13 -1.24 -3.94 120.64 120.20 3i04 n GLU 717 Ca 0.01 0.15 0.11 0.00 0.66 0.00 0.00 57.16 58.09 3i04 n GLU 717 Cb 0.25 -1.74 0.08 0.00 0.27 0.00 0.00 31.44 30.30 3i04 n GLU 717 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3i04 n LYS 718 N -2.82 0.19 -2.97 5.31 3.00 -1.07 -5.04 118.16 114.77 3i04 n LYS 718 Ca -0.13 0.01 -0.08 0.00 -0.00 0.00 0.00 58.31 58.11 3i04 n LYS 718 Cb 0.87 -1.57 0.01 0.00 0.00 0.00 0.00 35.03 34.33 3i04 n LYS 718 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i04 n GLY 719 N 1.41 -1.21 3.65 3.14 0.00 -1.17 -4.94 105.19 106.06 3i04 n GLY 719 Ca 0.03 1.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.67 3i04 n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i04 s HIS 720 N -2.65 3.31 -1.13 1.61 2.46 -0.20 -4.96 115.29 113.74 3i04 s HIS 720 Ca 0.19 1.19 -0.23 0.00 0.47 0.00 0.00 55.06 56.68 3i04 s HIS 720 Cb -0.05 -3.09 -0.12 0.00 -0.13 0.00 0.00 32.58 29.19 3i04 s HIS 720 CO 0.77 -0.42 1.96 -2.30 -2.47 0.00 0.00 174.74 172.29 3i04 n PRO 721 N 6.07 1.33 0.00 2.88 -0.02 -1.26 -1.55 135.00 142.44 3i04 n PRO 721 Ca 0.07 -2.29 0.00 0.00 -2.02 0.00 0.00 63.50 59.26 3i04 n PRO 721 Cb 0.47 -3.70 0.00 0.00 -0.02 0.00 0.00 33.50 30.25 3i04 n PRO 721 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i04 n ALA 722 N 14.83 0.00 -0.14 3.55 0.00 -1.26 -4.52 120.51 132.97 3i04 n ALA 722 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 3i04 n ALA 722 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 3i04 n ALA 722 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i04 h LEU 723 N 0.00 0.99 -5.12 0.00 5.85 -1.49 -2.74 115.31 112.79 3i04 h LEU 723 Ca 0.00 -0.42 -0.72 0.00 0.84 0.00 0.00 57.88 57.58 3i04 h LEU 723 Cb 0.00 -0.27 -0.32 0.00 0.37 0.00 0.00 40.66 40.44 3i04 h LEU 723 CO 0.00 1.19 0.52 0.35 -0.34 0.00 0.00 178.44 180.16 3i04 n THR 724 N -4.12 3.70 -4.08 1.05 -2.24 -1.26 -4.92 114.28 102.40 3i04 n THR 724 Ca -0.01 -4.83 -0.32 0.00 -2.27 0.00 0.00 64.05 56.62 3i04 n THR 724 Cb 0.48 -1.31 -0.15 0.00 -2.10 0.00 0.00 70.33 67.25 3i04 n THR 724 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3i04 s MET 725 N -3.95 2.51 -0.04 -0.78 -1.94 -1.04 -5.03 119.30 109.03 3i04 s MET 725 Ca 0.49 -1.12 -0.01 0.00 -1.71 0.00 0.00 55.69 53.34 3i04 s MET 725 Cb 0.38 -2.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.47 3i04 s MET 725 CO -0.30 -0.42 0.10 -0.40 -0.01 0.00 0.00 175.02 173.99 3i04 n ASP 726 N 4.52 0.01 0.00 3.03 5.75 -1.26 -4.37 116.55 124.23 3i04 n ASP 726 Ca -0.17 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 3i04 n ASP 726 Cb 0.45 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3i04 n ASP 726 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3i04 n PRO 727 N 0.32 0.00 -1.39 0.11 -0.02 -1.26 -2.60 135.00 130.16 3i04 n PRO 727 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3i04 n PRO 727 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i04 n PRO 727 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3i04 n ILE 728 N 0.00 0.00 0.00 4.25 0.13 -1.26 -5.23 119.36 117.25 3i04 n ILE 728 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3i04 n ILE 728 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3i04 n ILE 728 CO 0.00 0.00 0.00 0.80 2.80 0.00 0.00 176.55 180.15