#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 0.16 -0.88 3.42 3.58 -2.03 -2.86 116.42 117.82 3i04 h ASP 3 Ca 0.00 0.04 0.23 0.00 0.42 0.00 0.00 57.03 57.72 3i04 h ASP 3 Cb 0.00 0.02 -0.14 0.00 1.72 0.00 0.00 39.33 40.93 3i04 h ASP 3 CO 0.00 0.13 0.25 0.15 -2.88 0.00 0.00 179.24 176.89 3i04 h PHE 4 N 0.30 0.37 0.00 0.28 3.57 -2.02 -1.46 116.94 117.98 3i04 h PHE 4 Ca 0.17 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3i04 h PHE 4 Cb 0.14 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3i04 h PHE 4 CO -0.14 -0.20 0.00 -0.25 -2.23 0.00 0.00 178.31 175.50 3i04 n ASP 5 N -5.21 0.00 0.31 0.41 8.00 -1.08 -2.21 116.55 116.78 3i04 n ASP 5 Ca 0.21 0.43 0.19 0.00 0.71 0.00 0.00 54.79 56.33 3i04 n ASP 5 Cb 0.68 -0.44 1.02 0.00 -0.02 0.00 0.00 41.12 42.36 3i04 n ASP 5 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3i04 h LYS 6 N 0.00 0.00 0.00 -1.24 3.64 -1.41 -1.32 116.57 116.25 3i04 h LYS 6 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i04 h LYS 6 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3i04 h LYS 6 CO 0.00 0.02 0.00 -0.84 -2.27 0.00 0.00 179.45 176.36 3i04 h ILE 7 N 0.00 0.00 0.00 2.00 3.07 -1.68 -2.81 117.51 118.09 3i04 h ILE 7 Ca -0.00 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.13 3i04 h ILE 7 Cb 0.12 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 3i04 h ILE 7 CO 0.00 0.00 -1.25 0.49 -1.05 0.00 0.00 178.15 176.34 3i04 n PHE 8 N -2.38 0.15 -2.00 0.16 3.01 -0.50 -4.94 117.46 110.97 3i04 n PHE 8 Ca 0.02 0.04 -0.42 0.00 1.01 0.00 0.00 57.45 58.10 3i04 n PHE 8 Cb 0.25 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.33 3i04 n PHE 8 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i04 s GLU 9 N -3.23 4.24 0.00 -1.08 2.02 -1.06 -2.62 118.70 116.97 3i04 s GLU 9 Ca 0.02 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.29 3i04 s GLU 9 Cb 0.15 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3i04 s GLU 9 CO 0.84 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3i04 n GLY 10 N 3.66 0.65 0.23 -1.39 0.00 -1.26 -4.91 105.19 102.17 3i04 n GLY 10 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.49 -2.65 4.61 0.00 -1.84 -3.42 119.26 116.45 3i04 h ALA 11 Ca 0.00 -0.39 -0.67 0.00 0.00 0.00 0.00 54.91 53.84 3i04 h ALA 11 Cb 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 17.50 3i04 h ALA 11 CO 0.00 0.49 -0.40 0.42 0.00 0.00 0.00 179.25 179.77 3i04 s ILE 12 N -4.48 5.24 0.61 0.00 1.01 -1.26 -4.20 121.20 118.11 3i04 s ILE 12 Ca -0.12 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 3i04 s ILE 12 Cb 0.10 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3i04 s ILE 12 CO 0.84 -0.07 1.26 -2.84 0.00 0.00 0.00 174.94 174.13 3i04 s PRO 13 N 1.84 2.82 0.15 2.79 0.02 -1.26 -4.89 135.00 136.48 3i04 s PRO 13 Ca 0.08 1.98 -0.34 0.00 0.02 0.00 0.00 61.00 62.75 3i04 s PRO 13 Cb -0.17 -1.94 -0.16 0.00 0.02 0.00 0.00 34.50 32.25 3i04 s PRO 13 CO 0.11 -1.36 1.16 -1.91 -0.33 0.00 0.00 177.00 174.67 3i04 n GLU 14 N -1.64 1.04 -1.85 5.54 2.13 -1.26 -1.19 120.64 123.41 3i04 n GLU 14 Ca 0.14 0.37 -0.17 0.00 0.66 0.00 0.00 57.16 58.16 3i04 n GLU 14 Cb 0.48 -1.87 -0.05 0.00 0.27 0.00 0.00 31.44 30.27 3i04 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i04 n GLY 15 N 2.06 0.82 1.12 8.31 0.00 -1.26 -4.86 105.19 111.38 3i04 n GLY 15 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.44 2.23 -1.67 1.61 5.02 -0.34 -5.05 118.16 117.53 3i04 n LYS 16 Ca -0.18 -3.54 -0.43 0.00 -2.02 0.00 0.00 58.31 52.14 3i04 n LYS 16 Cb 0.60 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3i04 n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i04 n GLU 17 N -1.00 2.80 -1.76 1.97 -0.58 -1.26 -4.77 120.64 116.04 3i04 n GLU 17 Ca 0.29 1.02 -0.41 0.00 -0.42 0.00 0.00 57.16 57.64 3i04 n GLU 17 Cb 0.82 -2.96 -0.01 0.00 -0.57 0.00 0.00 31.44 28.72 3i04 n GLU 17 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i04 n PRO 18 N 7.08 3.52 -0.32 3.49 -0.04 -1.26 -4.76 135.00 142.72 3i04 n PRO 18 Ca 0.20 -2.79 0.09 0.00 -0.04 0.00 0.00 63.50 60.95 3i04 n PRO 18 Cb 0.39 -2.97 0.25 0.00 -0.04 0.00 0.00 33.50 31.13 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 3.44 0.76 -0.73 0.52 2.07 -1.90 -0.46 116.25 119.94 3i04 h VAL 19 Ca 0.65 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.87 3i04 h VAL 19 Cb 0.48 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3i04 h VAL 19 CO 1.75 0.13 0.24 0.00 0.02 0.00 0.00 177.57 179.71 3i04 h ALA 20 N 1.58 0.95 -0.13 1.67 0.00 -1.86 0.59 119.26 122.06 3i04 h ALA 20 Ca 0.50 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3i04 h ALA 20 Cb 0.69 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i04 h ALA 20 CO -0.35 0.62 0.02 1.25 0.00 0.00 0.00 179.25 180.80 3i04 h LEU 21 N 1.07 -0.00 -0.95 0.00 5.85 -0.99 -1.58 115.31 118.70 3i04 h LEU 21 Ca 0.24 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.07 3i04 h LEU 21 Cb 0.29 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3i04 h LEU 21 CO -0.01 0.02 0.59 -0.26 -0.34 0.00 0.00 178.44 178.44 3i04 h PHE 22 N 0.07 1.09 -0.37 1.25 0.04 -0.85 -0.91 116.94 117.26 3i04 h PHE 22 Ca 0.06 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 3i04 h PHE 22 Cb 0.05 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 3i04 h PHE 22 CO -0.12 0.48 0.13 -0.09 -0.60 0.00 0.00 178.31 178.10 3i04 h ARG 23 N 0.99 0.56 -0.39 1.51 2.43 -0.65 -0.02 114.38 118.81 3i04 h ARG 23 Ca 0.45 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 3i04 h ARG 23 Cb 0.36 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3i04 h ARG 23 CO -0.23 0.56 0.17 1.49 -1.51 0.00 0.00 179.97 180.44 3i04 h GLU 24 N 0.45 0.33 -0.31 0.20 4.81 -0.90 -0.30 114.58 118.86 3i04 h GLU 24 Ca 0.12 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3i04 h GLU 24 Cb 0.22 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3i04 h GLU 24 CO -0.01 0.22 0.07 0.28 -0.73 0.00 0.00 179.01 178.85 3i04 h VAL 25 N 0.34 0.87 -0.48 0.32 2.07 -0.95 0.78 116.25 119.20 3i04 h VAL 25 Ca 0.17 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.68 3i04 h VAL 25 Cb 0.12 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3i04 h VAL 25 CO -0.15 0.03 0.20 0.22 0.02 0.00 0.00 177.57 177.89 3i04 h TYR 26 N 0.19 0.36 -0.29 1.57 -0.00 -0.62 -0.08 116.97 118.10 3i04 h TYR 26 Ca 0.14 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.87 3i04 h TYR 26 Cb 0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 36.77 3i04 h TYR 26 CO -0.16 0.15 0.10 0.45 -0.00 0.00 0.00 178.16 178.69 3i04 h HIS 27 N 0.39 0.45 -0.93 -3.82 3.86 -0.69 -1.52 115.15 112.90 3i04 h HIS 27 Ca 0.22 -0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 3i04 h HIS 27 Cb 0.19 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.47 3i04 h HIS 27 CO -0.14 0.47 0.60 0.78 0.86 0.00 0.00 177.93 180.50 3i04 h GLY 28 N 0.31 1.38 1.39 2.45 0.00 -0.44 -1.53 103.07 106.62 3i04 h GLY 28 Ca 0.09 -0.45 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 3i04 h GLY 28 CO -0.00 0.35 -0.82 0.00 0.00 0.00 0.00 176.54 176.07 3i04 h ALA 29 N 1.40 0.40 -0.21 3.60 0.00 -0.91 -0.02 119.26 123.52 3i04 h ALA 29 Ca 0.39 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3i04 h ALA 29 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 29 CO -0.14 0.73 0.07 0.82 0.00 0.00 0.00 179.25 180.73 3i04 h ILE 30 N 0.38 0.94 -0.37 0.00 2.04 -1.20 -1.16 117.51 118.14 3i04 h ILE 30 Ca -0.06 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3i04 h ILE 30 Cb 1.44 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3i04 h ILE 30 CO 0.15 0.03 0.22 0.74 0.00 0.00 0.00 178.15 179.29 3i04 h THR 31 N 0.16 1.04 -0.21 -0.27 2.02 -1.14 -0.44 112.91 114.07 3i04 h THR 31 Ca 0.09 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3i04 h THR 31 Cb 0.06 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3i04 h THR 31 CO -0.10 0.08 -0.03 0.00 0.37 0.00 0.00 175.52 175.84 3i04 h ALA 32 N 1.17 0.29 -0.33 6.16 0.00 -0.94 -0.35 119.26 125.25 3i04 h ALA 32 Ca 0.15 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3i04 h ALA 32 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i04 h ALA 32 CO -0.07 0.05 -0.30 1.79 0.00 0.00 0.00 179.25 180.71 3i04 h THR 33 N 0.13 1.29 -0.64 0.00 1.35 -1.10 -1.56 112.91 112.38 3i04 h THR 33 Ca 0.06 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.42 3i04 h THR 33 Cb 0.47 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 68.35 3i04 h THR 33 CO 0.02 0.48 0.28 0.28 -0.25 0.00 0.00 175.52 176.33 3i04 h SER 34 N 0.55 0.86 0.00 5.36 0.02 -1.08 -1.75 113.55 117.51 3i04 h SER 34 Ca 0.05 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3i04 h SER 34 Cb 0.88 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3i04 h SER 34 CO 0.08 0.77 -0.03 0.22 -1.14 0.00 0.00 176.83 176.73 3i04 h TYR 35 N 0.89 -0.08 -0.79 3.45 3.20 -0.96 -1.87 116.97 120.81 3i04 h TYR 35 Ca 0.22 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.21 3i04 h TYR 35 Cb 0.16 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 3i04 h TYR 35 CO 0.01 -0.05 0.39 0.00 -1.64 0.00 0.00 178.16 176.87 3i04 h ALA 36 N 0.93 1.14 -0.60 1.82 0.00 -1.25 -1.76 119.26 119.54 3i04 h ALA 36 Ca 0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 36 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3i04 h ALA 36 CO -0.03 -0.07 0.36 1.49 0.00 0.00 0.00 179.25 180.99 3i04 h GLU 37 N 0.61 0.67 0.10 0.00 4.22 -0.97 0.71 114.58 119.93 3i04 h GLU 37 Ca 0.41 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.81 3i04 h GLU 37 Cb 0.53 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3i04 h GLU 37 CO -0.33 0.45 -0.05 0.82 -2.18 0.00 0.00 179.01 177.72 3i04 h ILE 38 N 0.69 1.08 -0.61 2.32 2.04 -0.85 -0.96 117.51 121.23 3i04 h ILE 38 Ca 0.25 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.48 3i04 h ILE 38 Cb 0.06 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3i04 h ILE 38 CO -0.12 0.17 0.29 -0.07 0.00 0.00 0.00 178.15 178.42 3i04 h LEU 39 N -0.45 0.39 0.10 1.44 3.38 -1.26 -1.60 115.31 117.32 3i04 h LEU 39 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i04 h LEU 39 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3i04 h LEU 39 CO 0.02 0.25 -0.05 0.25 0.09 0.00 0.00 178.44 179.00 3i04 h LEU 40 N 0.54 -0.12 -0.73 1.67 5.85 -0.69 -0.26 115.31 121.57 3i04 h LEU 40 Ca 0.28 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 3i04 h LEU 40 Cb 0.25 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3i04 h LEU 40 CO -0.22 0.06 -0.50 0.78 -0.34 0.00 0.00 178.44 178.22 3i04 h ASN 41 N -0.29 0.38 -0.48 1.25 2.35 -1.17 -0.20 115.58 117.43 3i04 h ASN 41 Ca -0.01 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.57 3i04 h ASN 41 Cb 0.24 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3i04 h ASN 41 CO 0.02 0.82 0.28 -0.61 -1.65 0.00 0.00 177.43 176.29 3i04 h GLN 42 N 0.28 0.55 -0.43 0.81 5.75 -1.25 -1.13 115.11 119.69 3i04 h GLN 42 Ca 0.01 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3i04 h GLN 42 Cb 0.98 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.35 3i04 h GLN 42 CO 0.08 0.37 0.15 0.00 -2.65 0.00 0.00 178.83 176.78 3i04 h ALA 43 N 1.21 0.51 -0.82 3.38 0.00 -0.43 -1.47 119.26 121.64 3i04 h ALA 43 Ca 0.19 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3i04 h ALA 43 Cb 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3i04 h ALA 43 CO -0.08 -0.24 0.51 0.82 0.00 0.00 0.00 179.25 180.25 3i04 h ILE 44 N 0.32 1.05 -0.43 0.00 2.04 -0.90 0.27 117.51 119.86 3i04 h ILE 44 Ca 0.20 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 3i04 h ILE 44 Cb 0.19 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 3i04 h ILE 44 CO -0.21 0.17 -0.03 0.03 0.00 0.00 0.00 178.15 178.11 3i04 h ARG 45 N 0.94 0.72 0.02 2.37 3.08 -0.53 0.35 114.38 121.32 3i04 h ARG 45 Ca 0.35 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 3i04 h ARG 45 Cb 0.13 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.10 3i04 h ARG 45 CO -0.16 0.75 -0.25 1.15 -1.07 0.00 0.00 179.97 180.39 3i04 h THR 46 N 0.67 1.61 0.00 2.04 2.02 -0.73 -3.39 112.91 115.12 3i04 h THR 46 Ca 0.13 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.20 3i04 h THR 46 Cb 0.46 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 3i04 h THR 46 CO 0.02 0.57 -1.56 -1.22 0.37 0.00 0.00 175.52 173.71 3i04 n TYR 47 N -4.49 0.00 0.00 3.16 4.01 0.89 -5.10 117.16 115.62 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 0.53 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 1.48 0.64 0.26 2.72 0.00 0.12 -4.33 105.19 106.09 3i04 n GLY 48 Ca -0.02 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.00 1.61 0.13 -1.92 -2.78 132.00 129.03 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 0.10 -0.13 -0.25 -0.23 0.00 0.00 178.00 177.49 3i04 n ASP 50 N -3.35 0.32 -4.75 1.44 8.00 -1.26 -0.06 116.55 116.89 3i04 n ASP 50 Ca -0.01 -0.24 -0.41 0.00 0.71 0.00 0.00 54.79 54.84 3i04 n ASP 50 Cb 0.29 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.68 2.85 0.65 1.24 2.46 -1.05 -4.78 115.29 113.98 3i04 s HIS 51 Ca 0.23 0.92 -0.18 0.00 0.47 0.00 0.00 55.06 56.50 3i04 s HIS 51 Cb 0.19 -3.96 -0.01 0.00 -0.13 0.00 0.00 32.58 28.67 3i04 s HIS 51 CO 0.52 -3.16 1.29 -2.14 -2.47 0.00 0.00 174.74 168.78 3i04 s PRO 52 N -0.61 2.53 -0.03 2.88 0.02 -1.26 -1.01 135.00 137.52 3i04 s PRO 52 Ca 0.61 2.06 -0.03 0.00 0.02 0.00 0.00 61.00 63.65 3i04 s PRO 52 Cb -0.45 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.23 3i04 s PRO 52 CO 0.47 -1.61 0.09 0.54 -0.33 0.00 0.00 177.00 176.16 3i04 s VAL 53 N -1.41 -0.00 -4.26 3.83 0.11 -0.12 -4.64 120.40 113.90 3i04 s VAL 53 Ca 0.82 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 3i04 s VAL 53 Cb -0.37 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3i04 s VAL 53 CO 0.40 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 3i04 n GLY 54 N 3.08 -1.51 3.60 6.54 0.00 -1.26 -4.40 105.19 111.24 3i04 n GLY 54 Ca -0.13 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.89 2.66 0.61 1.61 4.12 -1.26 -4.79 117.35 117.41 3i04 s TYR 55 Ca 0.00 -0.22 -0.14 0.00 0.02 0.00 0.00 57.07 56.73 3i04 s TYR 55 Cb 0.00 -1.25 -0.03 0.00 -1.52 0.00 0.00 41.96 39.16 3i04 s TYR 55 CO 0.00 0.56 1.05 -1.25 0.02 0.00 0.00 175.55 175.92 3i04 s PRO 56 N -3.15 3.32 -1.40 -1.71 0.04 -1.26 -4.34 135.00 126.49 3i04 s PRO 56 Ca 0.27 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 3i04 s PRO 56 Cb -0.08 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3i04 s PRO 56 CO 0.17 -0.80 0.84 -0.25 0.04 0.00 0.00 177.00 177.00 3i04 n ASP 57 N -2.34 -2.93 -3.93 6.66 8.00 -1.26 -4.71 116.55 116.04 3i04 n ASP 57 Ca 0.08 -0.79 -0.10 0.00 0.71 0.00 0.00 54.79 54.69 3i04 n ASP 57 Cb 0.53 -4.04 -0.11 0.00 -0.02 0.00 0.00 41.12 37.48 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 -3.50 0.08 -2.58 -3.53 -1.32 -1.26 -0.45 115.64 103.08 3i04 s THR 58 Ca 0.31 -0.70 0.26 0.00 -1.21 0.00 0.00 61.69 60.34 3i04 s THR 58 Cb -0.15 -0.27 0.31 0.00 -1.51 0.00 0.00 72.50 70.87 3i04 s THR 58 CO 0.82 -0.38 1.45 0.00 -2.21 0.00 0.00 174.62 174.29 3i04 n ALA 59 N 1.81 2.69 -1.20 11.08 0.00 -1.26 -4.59 120.51 129.05 3i04 n ALA 59 Ca -0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.62 3i04 n ALA 59 Cb 0.56 -0.97 0.24 0.00 0.00 0.00 0.00 19.45 19.28 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 0.56 1.62 0.00 0.00 4.02 -1.26 -5.00 117.16 117.10 3i04 n TYR 60 Ca 0.15 -1.32 0.00 0.00 -0.01 0.00 0.00 57.90 56.72 3i04 n TYR 60 Cb 0.47 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 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 -0.71 0.00 -3.03 -0.72 4.02 -1.26 -2.29 117.16 113.16 3i04 n TYR 61 Ca 0.35 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.80 3i04 n TYR 61 Cb 1.16 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.43 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 5.00 0.49 7.72 1.43 -1.26 -4.52 118.68 127.54 3i04 s LEU 62 Ca 0.00 -1.20 0.21 0.00 -1.03 0.00 0.00 54.13 52.11 3i04 s LEU 62 Cb 0.00 -2.37 1.25 0.00 0.03 0.00 0.00 46.19 45.10 3i04 s LEU 62 CO 0.00 -1.18 2.04 -0.65 0.23 0.00 0.00 176.35 176.79 3i04 h PRO 63 N 9.28 0.00 -0.76 1.29 0.11 -1.79 -0.17 132.00 139.95 3i04 h PRO 63 Ca -0.29 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.85 3i04 h PRO 63 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3i04 h PRO 63 CO 1.11 0.15 0.48 0.28 -0.21 0.00 0.00 178.00 179.80 3i04 h VAL 64 N 0.00 1.10 -0.01 3.15 2.07 -1.86 0.46 116.25 121.17 3i04 h VAL 64 Ca -0.00 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 3i04 h VAL 64 Cb 0.31 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3i04 h VAL 64 CO 0.02 0.17 -0.34 0.40 0.02 0.00 0.00 177.57 177.84 3i04 h ILE 65 N 0.93 1.51 -0.87 4.57 2.04 -1.69 -2.57 117.51 121.43 3i04 h ILE 65 Ca 0.31 -1.96 0.09 0.00 1.00 0.00 0.00 64.86 64.30 3i04 h ILE 65 Cb 0.03 2.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.73 3i04 h ILE 65 CO -0.12 0.55 0.52 -0.09 0.00 0.00 0.00 178.15 179.01 3i04 h ARG 66 N -0.38 0.86 0.43 2.37 9.65 -0.95 -0.57 114.38 125.79 3i04 h ARG 66 Ca -0.04 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3i04 h ARG 66 Cb 1.08 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 3i04 h ARG 66 CO 0.07 0.57 -0.21 0.00 2.80 0.00 0.00 179.97 183.20 3i04 h PHE 68 N -1.08 0.00 0.00 0.00 0.04 -1.41 0.46 116.94 114.95 3i04 h PHE 68 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3i04 h PHE 68 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3i04 h PHE 68 CO 0.02 0.86 0.00 -1.13 -0.60 0.00 0.00 178.31 177.46 3i04 n SER 69 N -3.43 0.27 0.00 2.17 3.41 -0.32 -4.26 113.62 111.46 3i04 n SER 69 Ca -0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 3i04 n SER 69 Cb 0.85 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 0.39 1.40 3.76 5.00 0.00 -0.59 -4.60 105.19 110.55 3i04 n GLY 70 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i04 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 71 N -0.46 4.45 -1.19 1.61 8.01 -1.25 -4.83 118.70 125.04 3i04 s GLU 71 Ca 0.00 2.06 -0.13 0.00 0.01 0.00 0.00 54.97 56.91 3i04 s GLU 71 Cb 0.00 -3.13 0.18 0.00 -4.31 0.00 0.00 34.13 26.87 3i04 s GLU 71 CO 0.00 -0.07 1.39 -1.21 0.01 0.00 0.00 175.26 175.38 3i04 s GLU 72 N -1.41 4.10 -0.06 1.61 2.02 -1.26 -3.91 118.70 119.79 3i04 s GLU 72 Ca 0.49 -2.65 -0.30 0.00 0.02 0.00 0.00 54.97 52.53 3i04 s GLU 72 Cb -0.37 -5.00 -0.03 0.00 0.10 0.00 0.00 34.13 28.83 3i04 s GLU 72 CO 0.47 -1.70 1.23 0.08 0.02 0.00 0.00 175.26 175.35 3i04 s VAL 73 N 1.25 4.20 0.00 2.63 1.01 -1.26 -4.83 120.40 123.40 3i04 s VAL 73 Ca 0.41 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.92 3i04 s VAL 73 Cb -0.04 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3i04 s VAL 73 CO -0.01 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.36 3i04 n LYS 74 N 5.36 2.18 -4.05 2.72 5.02 -1.26 -4.39 118.16 123.74 3i04 n LYS 74 Ca 0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.32 3i04 n LYS 74 Cb 0.46 -0.85 -0.11 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.53 0.51 0.27 1.97 -2.85 -1.26 -0.94 119.74 115.91 3i04 s LYS 75 Ca 0.00 -0.96 0.01 0.00 -1.00 0.00 0.00 55.97 54.02 3i04 s LYS 75 Cb 0.00 0.09 0.63 0.00 -2.06 0.00 0.00 37.83 36.49 3i04 s LYS 75 CO 0.00 -0.06 1.70 -0.07 0.10 0.00 0.00 175.35 177.02 3i04 h LEU 76 N 3.82 0.27 0.00 2.77 3.38 -0.96 -0.51 115.31 124.08 3i04 h LEU 76 Ca -0.34 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i04 h LEU 76 Cb 1.17 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3i04 h LEU 76 CO 0.54 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.70 3i04 n GLY 77 N -1.34 -0.84 0.17 0.83 0.00 0.92 -1.53 105.19 103.39 3i04 n GLY 77 Ca 0.19 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 0.22 1.61 3.45 -1.33 -3.39 116.42 116.99 3i04 h ASP 78 Ca 0.00 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.16 3i04 h ASP 78 Cb 0.17 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.97 3i04 h ASP 78 CO 0.00 0.40 -1.32 -0.07 -1.57 0.00 0.00 179.24 176.68 3i04 h LEU 79 N 0.00 0.73 -0.77 1.55 3.38 -1.41 -3.39 115.31 115.41 3i04 h LEU 79 Ca -0.00 -0.93 0.18 0.00 0.09 0.00 0.00 57.88 57.21 3i04 h LEU 79 Cb 1.15 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.54 3i04 h LEU 79 CO 0.05 1.63 0.15 -0.65 0.09 0.00 0.00 178.44 179.71 3i04 h PRO 80 N -0.01 0.21 -0.55 1.13 0.11 -1.75 -0.76 132.00 130.39 3i04 h PRO 80 Ca -0.23 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 3i04 h PRO 80 Cb 2.02 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 33.06 3i04 h PRO 80 CO 0.23 0.14 0.27 -1.35 -0.21 0.00 0.00 178.00 177.08 3i04 h PRO 81 N 0.22 0.77 -0.10 1.05 0.11 -1.87 -0.87 132.00 131.30 3i04 h PRO 81 Ca 0.44 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 3i04 h PRO 81 Cb 0.79 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 3i04 h PRO 81 CO -0.57 0.59 -0.13 0.82 -0.21 0.00 0.00 178.00 178.50 3i04 h ILE 82 N 0.77 1.37 -0.72 4.15 2.04 -1.45 -2.34 117.51 121.33 3i04 h ILE 82 Ca 0.19 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 3i04 h ILE 82 Cb 0.08 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3i04 h ILE 82 CO -0.03 0.38 0.39 0.25 0.00 0.00 0.00 178.15 179.14 3i04 h LEU 83 N -0.15 0.91 -1.00 1.44 5.85 -1.02 -2.82 115.31 118.53 3i04 h LEU 83 Ca 0.01 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3i04 h LEU 83 Cb 0.67 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 3i04 h LEU 83 CO 0.03 0.75 0.64 0.78 -0.34 0.00 0.00 178.44 180.31 3i04 h ASN 84 N 1.00 1.01 -0.73 1.25 2.35 -1.07 0.25 115.58 119.64 3i04 h ASN 84 Ca 0.25 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.06 3i04 h ASN 84 Cb 0.05 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 3i04 h ASN 84 CO -0.04 0.62 0.48 0.03 -1.65 0.00 0.00 177.43 176.87 3i04 h ARG 85 N 1.14 0.84 0.17 0.81 3.08 -1.16 -1.77 114.38 117.48 3i04 h ARG 85 Ca 0.45 -0.05 -0.32 0.00 0.07 0.00 0.00 59.98 60.13 3i04 h ARG 85 Cb 0.24 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3i04 h ARG 85 CO -0.19 0.55 -1.53 0.87 -1.07 0.00 0.00 179.97 178.60 3i04 h LYS 86 N 0.86 0.36 -0.79 0.04 1.79 -1.21 -2.98 116.57 114.64 3i04 h LYS 86 Ca 0.30 -0.62 0.13 0.00 -2.18 0.00 0.00 60.65 58.28 3i04 h LYS 86 Cb 0.10 0.23 -0.09 0.00 -1.58 0.00 0.00 32.23 30.89 3i04 h LYS 86 CO -0.09 1.26 0.39 -0.09 -1.08 0.00 0.00 179.45 179.84 3i04 h ARG 87 N 0.10 0.58 0.00 3.15 2.43 -0.14 -2.39 114.38 118.11 3i04 h ARG 87 Ca -0.25 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 3i04 h ARG 87 Cb 2.07 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3i04 h ARG 87 CO 0.20 0.38 -0.10 0.00 -1.51 0.00 0.00 179.97 178.94 3i04 h ALA 88 N 1.51 0.98 -0.01 2.80 0.00 -1.38 -3.11 119.26 120.05 3i04 h ALA 88 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i04 h ALA 88 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i04 h ALA 88 CO -0.33 0.13 -0.26 0.00 0.00 0.00 0.00 179.25 178.78 3i04 n GLN 89 N -3.19 0.84 -2.66 0.00 10.64 -0.91 -4.70 117.38 117.41 3i04 n GLN 89 Ca 0.01 -0.50 -0.43 0.00 -1.83 0.00 0.00 57.00 54.26 3i04 n GLN 89 Cb 0.43 -1.49 -0.02 0.00 -0.86 0.00 0.00 30.24 28.29 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 -2.50 4.36 -0.06 -0.39 1.01 -1.16 -4.58 120.40 117.07 3i04 s VAL 90 Ca 0.24 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.56 3i04 s VAL 90 Cb 0.19 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3i04 s VAL 90 CO 0.52 -0.80 -0.13 -0.55 0.00 0.00 0.00 175.10 174.15 3i04 s SER 91 N 2.16 4.16 0.06 3.32 0.15 -1.26 -5.01 113.70 117.28 3i04 s SER 91 Ca 0.45 -0.17 0.21 0.00 0.70 0.00 0.00 55.95 57.14 3i04 s SER 91 Cb -0.09 -0.99 0.86 0.00 -1.71 0.00 0.00 66.02 64.09 3i04 s SER 91 CO 0.25 0.33 1.65 -0.81 1.20 0.00 0.00 173.24 175.87 3i04 n PRO 92 N 2.40 0.05 -2.32 5.44 -0.04 -1.26 -4.66 135.00 134.61 3i04 n PRO 92 Ca -0.17 0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 3i04 n PRO 92 Cb 0.52 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 -3.06 3.90 -0.30 0.52 1.01 -1.26 -4.97 120.40 116.25 3i04 s VAL 93 Ca 0.09 0.95 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 3i04 s VAL 93 Cb 0.12 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3i04 s VAL 93 CO 0.38 -0.64 0.41 -0.76 0.00 0.00 0.00 175.10 174.49 3i04 s LEU 94 N 5.31 4.16 0.18 3.92 1.43 -1.26 -4.79 118.68 127.63 3i04 s LEU 94 Ca 0.62 0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 53.65 3i04 s LEU 94 Cb -0.16 -2.47 0.06 0.00 0.03 0.00 0.00 46.19 43.65 3i04 s LEU 94 CO 0.31 -0.28 0.93 0.54 0.23 0.00 0.00 176.35 178.08 3i04 s ASN 95 N 1.67 -0.17 0.12 2.29 2.20 -1.26 -5.03 114.94 114.75 3i04 s ASN 95 Ca 0.16 -0.47 -0.15 0.00 -0.94 0.00 0.00 52.86 51.45 3i04 s ASN 95 Cb -0.16 0.53 -0.03 0.00 -2.00 0.00 0.00 41.25 39.60 3i04 s ASN 95 CO 0.11 -0.99 1.58 0.15 -2.94 0.00 0.00 177.10 175.00 3i04 h PHE 96 N 2.00 0.71 -0.11 1.54 -0.00 -1.99 0.13 116.94 119.22 3i04 h PHE 96 Ca -0.24 -0.11 0.00 0.00 -0.00 0.00 0.00 57.97 57.62 3i04 h PHE 96 Cb 1.23 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 36.99 3i04 h PHE 96 CO 0.47 0.73 0.07 1.49 -0.00 0.00 0.00 178.31 181.06 3i04 h GLU 97 N 0.48 0.13 -0.15 1.11 4.81 -1.98 -0.63 114.58 118.36 3i04 h GLU 97 Ca 0.11 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3i04 h GLU 97 Cb 0.43 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3i04 h GLU 97 CO 0.01 0.09 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.31 3i04 h ASN 98 N 0.14 0.23 -0.60 1.04 2.35 -1.82 -1.52 115.58 115.39 3i04 h ASN 98 Ca 0.04 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3i04 h ASN 98 Cb -0.01 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3i04 h ASN 98 CO -0.01 0.41 0.05 0.00 -1.65 0.00 0.00 177.43 176.23 3i04 h ALA 99 N 1.62 0.81 -0.58 -0.83 0.00 -0.54 -0.87 119.26 118.87 3i04 h ALA 99 Ca 0.04 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3i04 h ALA 99 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i04 h ALA 99 CO 0.03 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.95 3i04 h ARG 100 N 0.93 0.97 -0.51 0.00 3.08 -0.80 -1.32 114.38 116.74 3i04 h ARG 100 Ca 0.18 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3i04 h ARG 100 Cb 0.49 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3i04 h ARG 100 CO 0.02 0.94 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.79 3i04 h LEU 101 N 0.87 0.82 -1.09 3.04 3.38 -1.15 -1.36 115.31 119.81 3i04 h LEU 101 Ca 0.17 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3i04 h LEU 101 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i04 h LEU 101 CO 0.02 0.89 -0.08 0.00 0.09 0.00 0.00 178.44 179.35 3i04 h ALA 102 N 1.20 1.25 -0.03 1.53 0.00 -1.05 -1.70 119.26 120.46 3i04 h ALA 102 Ca 0.15 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i04 h ALA 102 Cb 0.48 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3i04 h ALA 102 CO 0.02 0.50 -0.13 0.78 0.00 0.00 0.00 179.25 180.42 3i04 h GLY 103 N 0.91 -0.13 0.70 0.00 0.00 -0.70 -0.20 103.07 103.65 3i04 h GLY 103 Ca 0.10 0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.63 3i04 h GLY 103 CO 0.02 -0.13 0.25 -2.09 0.00 0.00 0.00 176.54 174.59 3i04 h GLU 104 N -0.20 0.47 -0.81 4.80 4.81 -1.08 -1.13 114.58 121.43 3i04 h GLU 104 Ca 0.06 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3i04 h GLU 104 Cb 0.28 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3i04 h GLU 104 CO -0.15 0.31 0.53 0.00 -0.73 0.00 0.00 179.01 178.97 3i04 h ALA 105 N 1.28 1.05 -0.66 2.92 0.00 -1.14 -1.71 119.26 121.01 3i04 h ALA 105 Ca 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 105 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3i04 h ALA 105 CO -0.17 0.39 0.29 1.15 0.00 0.00 0.00 179.25 180.91 3i04 h THR 106 N 1.06 1.22 -0.23 0.00 2.02 -0.73 -0.21 112.91 116.04 3i04 h THR 106 Ca 0.31 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3i04 h THR 106 Cb -0.06 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3i04 h THR 106 CO -0.09 0.27 0.05 -0.50 0.37 0.00 0.00 175.52 175.62 3i04 h TRP 107 N 0.94 0.39 -0.57 3.16 4.06 -0.72 -0.94 115.95 122.27 3i04 h TRP 107 Ca 0.23 -0.05 0.07 0.00 2.06 0.00 0.00 58.89 61.19 3i04 h TRP 107 Cb 0.14 -0.11 -0.06 0.00 -1.00 0.00 0.00 29.16 28.13 3i04 h TRP 107 CO 0.01 0.48 0.26 1.88 -3.56 0.00 0.00 178.44 177.52 3i04 h TYR 108 N 0.19 0.47 -0.08 0.49 0.99 -1.11 -1.39 116.97 116.54 3i04 h TYR 108 Ca 0.07 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 3i04 h TYR 108 Cb 0.29 -0.13 -0.00 0.00 1.00 0.00 0.00 36.73 37.89 3i04 h TYR 108 CO 0.01 0.19 0.05 0.00 -0.00 0.00 0.00 178.16 178.41 3i04 h ALA 109 N 1.34 0.10 -0.94 3.88 0.00 -0.93 -1.80 119.26 120.92 3i04 h ALA 109 Ca 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3i04 h ALA 109 Cb 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 109 CO -0.22 -0.37 0.62 0.00 0.00 0.00 0.00 179.25 179.29 3i04 h ALA 110 N 0.96 1.33 -0.43 0.00 0.00 -1.03 -0.01 119.26 120.07 3i04 h ALA 110 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3i04 h ALA 110 Cb 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3i04 h ALA 110 CO -0.00 0.62 0.15 1.49 0.00 0.00 0.00 179.25 181.51 3i04 h GLU 111 N 1.27 0.66 -0.22 0.00 4.57 -1.10 0.85 114.58 120.61 3i04 h GLU 111 Ca 0.35 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 3i04 h GLU 111 Cb -0.15 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 3i04 h GLU 111 CO -0.08 0.63 0.04 0.82 -1.18 0.00 0.00 179.01 179.24 3i04 h ILE 112 N 0.56 1.23 -0.35 2.32 2.04 -1.01 0.05 117.51 122.34 3i04 h ILE 112 Ca 0.14 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.31 3i04 h ILE 112 Cb 0.24 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3i04 h ILE 112 CO -0.01 0.23 0.05 0.40 0.00 0.00 0.00 178.15 178.83 3i04 h ILE 113 N 0.17 0.80 -0.57 -0.67 2.04 -0.81 -1.07 117.51 117.40 3i04 h ILE 113 Ca 0.07 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3i04 h ILE 113 Cb 0.32 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3i04 h ILE 113 CO 0.00 0.03 0.35 -0.33 0.00 0.00 0.00 178.15 178.20 3i04 h GLU 114 N 0.16 0.78 -0.85 2.37 4.39 -0.75 -0.90 114.58 119.78 3i04 h GLU 114 Ca 0.17 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.86 3i04 h GLU 114 Cb 0.21 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.63 3i04 h GLU 114 CO -0.24 0.56 0.52 0.00 -1.16 0.00 0.00 179.01 178.69 3i04 h ALA 115 N 1.17 1.16 -0.36 3.43 0.00 -0.59 -1.38 119.26 122.70 3i04 h ALA 115 Ca 0.21 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 115 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3i04 h ALA 115 CO -0.04 0.27 -0.29 -0.07 0.00 0.00 0.00 179.25 179.12 3i04 h LEU 116 N 0.96 0.79 -1.51 0.00 3.38 -0.88 -1.60 115.31 116.45 3i04 h LEU 116 Ca 0.37 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3i04 h LEU 116 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3i04 h LEU 116 CO -0.17 1.03 0.14 -0.09 0.09 0.00 0.00 178.44 179.44 3i04 h ARG 117 N 0.65 0.47 0.00 1.13 2.43 -0.53 -1.48 114.38 117.05 3i04 h ARG 117 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i04 h ARG 117 Cb 0.81 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3i04 h ARG 117 CO 0.07 0.39 0.00 0.66 -1.51 0.00 0.00 179.97 179.58 3i04 n TYR 118 N -4.41 0.00 0.30 2.20 4.01 -0.58 -1.88 117.16 116.80 3i04 n TYR 118 Ca 0.02 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.93 3i04 n TYR 118 Cb 0.13 -0.22 0.92 0.00 -0.31 0.00 0.00 39.34 39.86 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 -1.59 7.72 3.38 -1.12 -1.95 115.31 121.75 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 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i04 h LEU 119 CO 0.00 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.86 3i04 n LYS 120 N -3.49 2.09 -2.42 1.13 4.76 -0.79 -4.95 118.16 114.48 3i04 n LYS 120 Ca -0.02 -1.58 -0.40 0.00 -2.87 0.00 0.00 58.31 53.43 3i04 n LYS 120 Cb 0.15 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.96 3.50 0.03 2.13 5.04 -0.73 -4.93 117.35 120.43 3i04 s TYR 121 Ca 0.32 1.64 0.03 0.00 -2.44 0.00 0.00 57.07 56.62 3i04 s TYR 121 Cb 0.20 -3.35 -0.02 0.00 0.35 0.00 0.00 41.96 39.15 3i04 s TYR 121 CO 0.31 -0.77 -0.09 0.15 -1.34 0.00 0.00 175.55 173.82 3i04 s LYS 122 N -1.35 0.59 0.27 4.97 1.02 -1.10 -5.02 119.74 119.11 3i04 s LYS 122 Ca 0.46 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3i04 s LYS 122 Cb -0.33 -0.47 0.59 0.00 -0.52 0.00 0.00 37.83 37.09 3i04 s LYS 122 CO 0.42 0.11 1.73 -1.35 -0.92 0.00 0.00 175.35 175.34 3i04 h PRO 123 N 5.01 0.50 0.00 -1.68 0.11 -2.01 0.24 132.00 134.17 3i04 h PRO 123 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i04 h PRO 123 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i04 h PRO 123 CO 0.44 0.33 0.00 0.38 -0.21 0.00 0.00 178.00 178.94 3i04 h ASP 124 N 0.51 0.00 -2.12 -2.05 3.04 -2.02 -3.40 116.42 110.38 3i04 h ASP 124 Ca 0.49 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.71 3i04 h ASP 124 Cb 0.79 0.00 -0.38 0.00 -1.04 0.00 0.00 39.33 38.70 3i04 h ASP 124 CO -0.43 0.00 -1.03 1.21 -2.04 0.00 0.00 179.24 176.95 3i04 n GLU 125 N -2.52 0.46 -1.35 4.15 2.13 0.84 -5.12 120.64 119.22 3i04 n GLU 125 Ca 0.01 -3.15 -0.31 0.00 0.66 0.00 0.00 57.16 54.37 3i04 n GLU 125 Cb 0.24 -1.44 0.09 0.00 0.27 0.00 0.00 31.44 30.61 3i04 n GLU 125 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3i04 s PRO 126 N -0.53 2.29 0.28 5.31 0.04 -1.22 -2.70 135.00 138.47 3i04 s PRO 126 Ca 0.34 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.48 3i04 s PRO 126 Cb 0.11 -1.91 0.39 0.00 0.04 0.00 0.00 34.50 33.13 3i04 s PRO 126 CO -0.15 -1.58 1.65 -0.07 0.04 0.00 0.00 177.00 176.88 3i04 h LEU 127 N -1.08 0.18 -8.28 -3.56 3.38 -1.91 -3.44 115.31 100.61 3i04 h LEU 127 Ca -0.45 -0.09 -0.40 0.00 0.09 0.00 0.00 57.88 57.04 3i04 h LEU 127 Cb 1.23 -0.05 -0.24 0.00 0.09 0.00 0.00 40.66 41.70 3i04 h LEU 127 CO 0.54 0.66 -0.78 -0.76 0.09 0.00 0.00 178.44 178.19 3i04 s LEU 128 N -8.01 2.19 0.75 1.67 1.43 -1.26 -5.16 118.68 110.29 3i04 s LEU 128 Ca -0.03 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 3i04 s LEU 128 Cb 0.13 -0.48 0.07 0.00 0.03 0.00 0.00 46.19 45.93 3i04 s LEU 128 CO 0.77 -0.02 1.08 -2.16 0.23 0.00 0.00 176.35 176.25 3i04 s PRO 129 N -1.23 2.12 0.45 1.29 0.04 -1.26 -4.85 135.00 131.56 3i04 s PRO 129 Ca -0.01 -0.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.70 3i04 s PRO 129 Cb -0.08 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3i04 s PRO 129 CO 0.01 -1.37 1.08 -2.30 0.04 0.00 0.00 177.00 174.46 3i04 n PRO 130 N -3.08 1.45 -0.02 0.56 -0.02 -1.26 -1.44 135.00 131.20 3i04 n PRO 130 Ca 0.08 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3i04 n PRO 130 Cb 0.61 -2.17 0.56 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.07 1.53 -1.62 0.52 -0.04 -1.26 -5.11 135.00 128.95 3i04 n PRO 131 Ca 0.09 -0.77 -0.39 0.00 -0.04 0.00 0.00 63.50 62.38 3i04 n PRO 131 Cb 0.40 -1.45 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 0.91 -0.04 0.00 0.00 175.50 176.37 3i04 n TRP 132 N -0.05 1.04 -0.10 0.54 8.01 -0.52 -4.39 117.44 121.97 3i04 n TRP 132 Ca 0.19 0.48 -0.11 0.00 -1.31 0.00 0.00 57.50 56.75 3i04 n TRP 132 Cb 0.29 -2.19 -0.13 0.00 -2.01 0.00 0.00 31.31 27.27 3i04 n TRP 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3i04 n THR 133 N -1.14 1.27 -3.78 -0.99 -2.24 0.38 -4.77 114.28 103.01 3i04 n THR 133 Ca 0.11 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3i04 n THR 133 Cb 0.44 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 2.03 2.36 3.72 3.38 0.00 -1.14 -4.58 105.19 110.96 3i04 n GLY 134 Ca -0.33 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 12.07 2.58 -3.68 1.61 7.35 -1.26 -4.87 117.46 131.27 3i04 n PHE 135 Ca 0.00 0.32 -0.38 0.00 -0.76 0.00 0.00 57.45 56.63 3i04 n PHE 135 Cb 0.00 -2.54 -0.12 0.00 0.35 0.00 0.00 39.48 37.17 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 -0.01 4.47 0.58 -2.13 1.01 -1.26 -5.03 121.20 118.83 3i04 s ILE 136 Ca 0.66 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.67 3i04 s ILE 136 Cb -0.55 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 3i04 s ILE 136 CO 0.49 0.09 1.03 0.61 0.00 0.00 0.00 174.94 177.16 3i04 n GLY 137 N 4.96 -0.15 0.32 6.18 0.00 -1.26 -4.84 105.19 110.40 3i04 n GLY 137 Ca -0.14 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 45.96 3i04 n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i04 h ASP 138 N 0.67 0.34 -0.20 1.61 3.45 -1.06 -1.90 116.42 119.33 3i04 h ASP 138 Ca -0.48 0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.21 3i04 h ASP 138 Cb 1.35 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 40.28 3i04 h ASP 138 CO 0.52 -0.09 0.19 -0.65 -1.57 0.00 0.00 179.24 177.64 3i04 h PRO 139 N 0.33 0.00 0.10 3.56 0.11 -1.88 -1.24 132.00 132.98 3i04 h PRO 139 Ca 0.64 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.58 3i04 h PRO 139 Cb 1.33 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.46 3i04 h PRO 139 CO -0.59 0.00 -0.71 0.28 -0.21 0.00 0.00 178.00 176.76 3i04 h VAL 140 N 0.00 1.52 -0.63 3.15 2.07 -1.70 -2.10 116.25 118.56 3i04 h VAL 140 Ca 0.09 -2.43 0.13 0.00 0.82 0.00 0.00 66.70 65.31 3i04 h VAL 140 Cb 0.47 3.10 -0.10 0.00 -1.52 0.00 0.00 31.29 33.23 3i04 h VAL 140 CO -0.00 0.69 0.07 0.58 0.02 0.00 0.00 177.57 178.92 3i04 h VAL 141 N -0.36 0.53 -0.02 2.57 2.07 -1.31 -2.67 116.25 117.06 3i04 h VAL 141 Ca -0.12 -0.06 -0.19 0.00 0.82 0.00 0.00 66.70 67.15 3i04 h VAL 141 Cb 1.53 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3i04 h VAL 141 CO 0.14 0.03 -0.80 0.03 0.02 0.00 0.00 177.57 176.98 3i04 h ARG 142 N 0.18 0.24 -0.57 1.57 3.08 -1.28 -2.91 114.38 114.69 3i04 h ARG 142 Ca 0.34 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 60.22 3i04 h ARG 142 Cb 0.54 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 3i04 h ARG 142 CO -0.49 0.92 0.27 -0.09 -1.07 0.00 0.00 179.97 179.52 3i04 h ARG 143 N 0.15 0.50 -0.17 0.04 2.43 -1.04 -2.04 114.38 114.26 3i04 h ARG 143 Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3i04 h ARG 143 Cb 1.40 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3i04 h ARG 143 CO 0.13 0.33 0.00 1.19 -1.51 0.00 0.00 179.97 180.11 3i04 n PHE 144 N -4.89 0.20 -0.28 2.20 3.72 -1.09 -4.43 117.46 112.89 3i04 n PHE 144 Ca 0.07 -0.10 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 3i04 n PHE 144 Cb 0.18 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.81 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 4.87 1.10 2.00 1.37 0.00 -1.16 -2.28 103.07 108.98 3i04 h GLY 145 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3i04 h GLY 145 CO 0.00 0.32 -0.10 1.19 0.00 0.00 0.00 176.54 177.95 3i04 h ILE 146 N 0.96 0.57 0.00 2.60 6.09 -1.78 -0.75 117.51 125.20 3i04 h ILE 146 Ca 0.30 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3i04 h ILE 146 Cb -0.00 1.30 0.00 0.00 0.47 0.00 0.00 36.82 38.59 3i04 h ILE 146 CO -0.11 0.10 -0.41 0.11 -3.07 0.00 0.00 178.15 174.78 3i04 h LYS 147 N 0.00 0.00 0.03 2.19 1.57 -1.72 -3.33 116.57 115.31 3i04 h LYS 147 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3i04 h LYS 147 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.62 3i04 h LYS 147 CO 0.01 0.00 -0.91 0.52 -0.57 0.00 0.00 179.45 178.50 3i04 h MET 148 N 0.00 0.57 0.00 3.15 2.86 -0.87 0.24 114.93 120.88 3i04 h MET 148 Ca 0.00 -0.65 -0.04 0.00 -2.06 0.00 0.00 59.70 56.95 3i04 h MET 148 Cb 0.94 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3i04 h MET 148 CO 0.00 1.26 -0.19 -0.39 1.06 0.00 0.00 176.91 178.64 3i04 h VAL 149 N 0.16 1.11 -0.48 -2.22 -1.51 -1.53 -1.12 116.25 110.66 3i04 h VAL 149 Ca -0.12 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3i04 h VAL 149 Cb 1.60 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 3i04 h VAL 149 CO 0.18 0.19 0.00 -0.90 -1.23 0.00 0.00 177.57 175.81 3i04 n ASP 150 N -4.27 4.37 -1.74 4.19 3.85 -1.26 -4.72 116.55 116.98 3i04 n ASP 150 Ca -0.02 -2.61 -0.21 0.00 -0.71 0.00 0.00 54.79 51.23 3i04 n ASP 150 Cb 0.25 -0.53 -0.08 0.00 -1.35 0.00 0.00 41.12 39.42 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 0.47 -0.18 0.25 2.11 7.02 -0.42 -4.86 117.44 121.83 3i04 n TRP 151 Ca 0.22 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.78 3i04 n TRP 151 Cb 0.86 -3.56 0.60 0.00 -2.42 0.00 0.00 31.31 26.80 3i04 n TRP 151 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i04 h THR 152 N 0.00 0.99 -3.49 -0.99 1.03 -1.43 -3.04 112.91 105.98 3i04 h THR 152 Ca -0.44 -0.35 -0.70 0.00 -0.01 0.00 0.00 66.41 64.91 3i04 h THR 152 Cb 1.36 1.19 -0.19 0.00 -1.07 0.00 0.00 68.15 69.44 3i04 h THR 152 CO 0.62 0.10 -0.24 -0.63 -0.01 0.00 0.00 175.52 175.36 3i04 s ILE 153 N -4.75 5.11 -0.71 0.00 1.01 -0.07 -4.51 121.20 117.29 3i04 s ILE 153 Ca -0.04 -0.47 0.26 0.00 0.00 0.00 0.00 60.65 60.39 3i04 s ILE 153 Cb 0.16 -4.05 0.28 0.00 0.01 0.00 0.00 42.46 38.86 3i04 s ILE 153 CO 0.67 -0.44 1.74 1.55 0.00 0.00 0.00 174.94 178.45 3i04 h PRO 154 N 8.73 0.00 0.00 2.79 0.13 -1.69 -3.43 132.00 138.53 3i04 h PRO 154 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3i04 h PRO 154 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i04 h PRO 154 CO 0.80 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 3i04 n GLY 155 N 1.30 -1.38 2.90 1.56 0.00 -1.26 -4.73 105.19 103.57 3i04 n GLY 155 Ca 0.05 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.04 0.45 -0.20 1.61 8.01 -0.34 -1.98 118.70 125.21 3i04 s GLU 156 Ca 0.00 -0.09 -0.02 0.00 0.01 0.00 0.00 54.97 54.86 3i04 s GLU 156 Cb 0.00 -0.49 -0.00 0.00 -4.31 0.00 0.00 34.13 29.33 3i04 s GLU 156 CO 0.00 0.01 -0.09 0.00 0.01 0.00 0.00 175.26 175.19 3i04 s ALA 157 N 0.38 2.68 -0.40 5.21 0.00 0.06 -2.35 121.76 127.34 3i04 s ALA 157 Ca -0.04 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 3i04 s ALA 157 Cb -0.07 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.56 3i04 s ALA 157 CO -0.00 -0.35 0.26 0.42 0.00 0.00 0.00 175.76 176.08 3i04 s ILE 158 N 1.33 4.70 -0.30 0.00 1.01 -0.68 -1.45 121.20 125.82 3i04 s ILE 158 Ca 0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 3i04 s ILE 158 Cb -0.14 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3i04 s ILE 158 CO -0.05 -0.35 0.13 -0.63 0.00 0.00 0.00 174.94 174.04 3i04 s ILE 159 N 1.56 4.47 -0.10 2.92 1.01 0.57 -0.39 121.20 131.23 3i04 s ILE 159 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3i04 s ILE 159 Cb -0.21 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.04 3i04 s ILE 159 CO 0.06 0.12 -0.09 -0.22 0.00 0.00 0.00 174.94 174.82 3i04 s LEU 160 N 1.60 1.28 0.00 2.97 2.96 -0.01 -0.55 118.68 126.93 3i04 s LEU 160 Ca 0.05 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3i04 s LEU 160 Cb -0.17 -0.84 0.00 0.00 0.50 0.00 0.00 46.19 45.68 3i04 s LEU 160 CO 0.05 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 3i04 n GLY 161 N 4.72 0.34 2.86 7.98 0.00 -0.75 0.04 105.19 120.38 3i04 n GLY 161 Ca -0.15 -1.77 -0.19 0.00 0.00 0.00 0.00 46.02 43.91 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 0.62 0.72 1.61 3.52 -0.08 -1.68 118.95 123.66 3i04 s ARG 162 Ca 0.00 -0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.44 3i04 s ARG 162 Cb 0.00 -0.70 0.03 0.00 -1.56 0.00 0.00 34.95 32.71 3i04 s ARG 162 CO 0.00 -0.10 1.09 0.00 -0.81 0.00 0.00 175.30 175.47 3i04 s ALA 163 N 0.96 2.43 0.38 6.12 0.00 -1.26 -2.59 121.76 127.79 3i04 s ALA 163 Ca -0.11 0.31 0.11 0.00 0.00 0.00 0.00 51.96 52.28 3i04 s ALA 163 Cb -0.14 -3.26 0.90 0.00 0.00 0.00 0.00 23.12 20.62 3i04 s ALA 163 CO -0.01 -1.47 1.87 1.57 0.00 0.00 0.00 175.76 177.73 3i04 h LYS 164 N -0.64 0.58 -3.26 0.00 2.10 -1.99 -3.42 116.57 109.94 3i04 h LYS 164 Ca -0.45 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.15 3i04 h LYS 164 Cb 1.23 -0.13 -0.11 0.00 -0.90 0.00 0.00 32.23 32.32 3i04 h LYS 164 CO 0.53 0.38 0.05 0.16 -2.00 0.00 0.00 179.45 178.57 3i04 s ASP 165 N -5.78 -0.30 0.18 7.07 1.47 -1.26 -5.07 116.67 112.97 3i04 s ASP 165 Ca -0.09 -0.38 -0.14 0.00 1.18 0.00 0.00 52.55 53.12 3i04 s ASP 165 Cb 0.22 0.57 0.09 0.00 -0.34 0.00 0.00 42.92 43.46 3i04 s ASP 165 CO 0.78 -1.02 1.82 0.28 0.68 0.00 0.00 175.17 177.72 3i04 h SER 166 N 2.19 0.53 -0.60 2.11 0.02 -1.91 -2.65 113.55 113.25 3i04 h SER 166 Ca -0.30 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 3i04 h SER 166 Cb 1.27 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3i04 h SER 166 CO 0.39 0.38 0.16 0.11 -1.14 0.00 0.00 176.83 176.72 3i04 h LYS 167 N 0.64 0.94 -0.40 3.45 1.79 -1.98 -1.35 116.57 119.66 3i04 h LYS 167 Ca 0.21 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3i04 h LYS 167 Cb -0.00 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 3i04 h LYS 167 CO -0.08 0.86 0.22 0.00 -1.08 0.00 0.00 179.45 179.36 3i04 h ALA 168 N 1.04 0.52 -0.26 3.86 0.00 -1.95 -1.44 119.26 121.03 3i04 h ALA 168 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i04 h ALA 168 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i04 h ALA 168 CO -0.00 0.05 0.15 1.25 0.00 0.00 0.00 179.25 180.70 3i04 h LEU 169 N 0.52 0.31 -1.17 0.00 5.85 -1.33 -2.63 115.31 116.86 3i04 h LEU 169 Ca 0.14 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3i04 h LEU 169 Cb 0.07 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3i04 h LEU 169 CO -0.02 0.28 0.57 0.00 -0.34 0.00 0.00 178.44 178.93 3i04 h ALA 170 N 1.05 1.52 -0.34 1.25 0.00 -1.03 -0.69 119.26 121.01 3i04 h ALA 170 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 170 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3i04 h ALA 170 CO -0.02 0.36 0.17 -0.22 0.00 0.00 0.00 179.25 179.55 3i04 h LYS 171 N 1.02 0.48 -0.60 0.00 3.64 -1.17 -0.00 116.57 119.94 3i04 h LYS 171 Ca 0.37 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3i04 h LYS 171 Cb 0.16 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3i04 h LYS 171 CO -0.13 0.43 0.15 0.82 -2.27 0.00 0.00 179.45 178.44 3i04 h ILE 172 N 0.42 1.24 -0.06 2.00 2.04 -1.02 -2.68 117.51 119.44 3i04 h ILE 172 Ca 0.12 -0.87 -0.22 0.00 1.00 0.00 0.00 64.86 64.89 3i04 h ILE 172 Cb 0.09 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3i04 h ILE 172 CO -0.02 0.33 -0.85 0.58 0.00 0.00 0.00 178.15 178.19 3i04 h VAL 173 N 0.90 1.34 -0.63 1.67 2.07 -1.02 -0.79 116.25 119.79 3i04 h VAL 173 Ca 0.19 -2.20 0.05 0.00 0.82 0.00 0.00 66.70 65.57 3i04 h VAL 173 Cb 0.32 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3i04 h VAL 173 CO -0.00 0.67 0.35 0.50 0.02 0.00 0.00 177.57 179.11 3i04 h LYS 174 N 0.35 0.63 -0.08 1.57 3.64 -0.98 0.69 116.57 122.40 3i04 h LYS 174 Ca -0.07 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3i04 h LYS 174 Cb 1.47 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3i04 h LYS 174 CO 0.16 0.42 0.02 1.49 -2.27 0.00 0.00 179.45 179.27 3i04 h GLU 175 N 0.65 0.13 -0.88 1.90 4.81 -1.35 -1.54 114.58 118.30 3i04 h GLU 175 Ca 0.28 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 3i04 h GLU 175 Cb 0.17 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 3i04 h GLU 175 CO -0.17 0.29 0.53 -0.07 -0.73 0.00 0.00 179.01 178.86 3i04 h LEU 176 N -0.06 0.78 -0.48 1.64 3.38 -0.99 -2.12 115.31 117.46 3i04 h LEU 176 Ca 0.03 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 3i04 h LEU 176 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3i04 h LEU 176 CO -0.00 0.46 -0.35 0.24 0.09 0.00 0.00 178.44 178.87 3i04 h MET 177 N 0.90 0.87 0.00 1.13 2.86 -0.66 -1.87 114.93 118.16 3i04 h MET 177 Ca 0.42 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i04 h MET 177 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3i04 h MET 177 CO -0.23 1.08 0.00 0.78 1.06 0.00 0.00 176.91 179.60 3i04 h GLY 178 N 0.86 0.00 -0.99 8.32 0.00 -0.95 -1.99 103.07 108.31 3i04 h GLY 178 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3i04 h GLY 178 CO 0.09 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.66 3i04 n MET 179 N -3.01 1.88 -0.88 4.80 2.81 -0.74 -4.78 117.12 117.19 3i04 n MET 179 Ca -0.01 -1.30 0.00 0.00 -1.81 0.00 0.00 57.70 54.58 3i04 n MET 179 Cb 0.17 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3i04 n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i04 n GLY 180 N 1.23 0.55 3.76 3.03 0.00 -0.75 -4.45 105.19 108.55 3i04 n GLY 180 Ca 0.17 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3i04 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i04 s PHE 181 N -2.00 2.80 0.12 1.61 0.40 -0.95 -4.18 117.98 115.78 3i04 s PHE 181 Ca 0.00 0.97 -0.30 0.00 -0.60 0.00 0.00 56.93 56.99 3i04 s PHE 181 Cb 0.00 -3.98 -0.06 0.00 0.51 0.00 0.00 43.02 39.49 3i04 s PHE 181 CO 0.00 -3.13 1.02 1.41 0.70 0.00 0.00 175.22 175.21 3i04 s MET 182 N -0.91 4.65 0.03 0.44 -2.45 -0.84 -4.76 119.30 115.45 3i04 s MET 182 Ca 0.59 1.54 0.08 0.00 -1.25 0.00 0.00 55.69 56.65 3i04 s MET 182 Cb -0.46 -3.35 -0.03 0.00 1.25 0.00 0.00 34.83 32.24 3i04 s MET 182 CO 0.51 0.13 -0.23 -0.51 1.05 0.00 0.00 175.02 175.97 3i04 s LEU 183 N 0.02 2.35 -0.12 4.11 1.43 -0.55 -0.76 118.68 125.16 3i04 s LEU 183 Ca 0.49 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3i04 s LEU 183 Cb -0.25 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3i04 s LEU 183 CO 0.31 0.27 -0.13 -0.36 0.23 0.00 0.00 176.35 176.68 3i04 s PHE 184 N -0.81 1.88 -0.07 0.29 0.40 -0.53 -0.43 117.98 118.71 3i04 s PHE 184 Ca 0.12 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.54 3i04 s PHE 184 Cb -0.10 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 42.01 3i04 s PHE 184 CO 0.03 -0.54 -0.21 0.42 0.70 0.00 0.00 175.22 175.61 3i04 s ILE 185 N 1.34 1.80 -0.01 0.64 1.01 0.21 -0.32 121.20 125.86 3i04 s ILE 185 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3i04 s ILE 185 Cb -0.14 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.80 3i04 s ILE 185 CO -0.06 0.50 -0.01 0.00 0.00 0.00 0.00 174.94 175.37 3i04 n ASP 187 N 3.44 0.00 0.26 0.00 8.00 0.00 -1.80 116.55 126.45 3i04 n ASP 187 Ca -0.18 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.50 3i04 n ASP 187 Cb 0.56 0.00 0.79 0.00 -0.02 0.00 0.00 41.12 42.45 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 -0.88 -1.24 3.07 -1.83 0.10 114.58 113.81 3i04 h GLU 188 Ca 0.00 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.10 3i04 h GLU 188 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3i04 h GLU 188 CO 0.00 0.00 0.61 0.00 -1.40 0.00 0.00 179.01 178.22 3i04 h ALA 189 N 2.04 2.61 0.68 3.43 0.00 -1.52 0.61 119.26 127.11 3i04 h ALA 189 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 189 Cb 0.32 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i04 h ALA 189 CO 0.00 -0.87 -0.33 0.28 0.00 0.00 0.00 179.25 178.33 3i04 h VAL 190 N 0.14 0.30 -0.19 0.00 2.07 -1.06 -1.71 116.25 115.80 3i04 h VAL 190 Ca 0.43 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.80 3i04 h VAL 190 Cb 1.49 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3i04 h VAL 190 CO -0.07 0.01 -0.17 -0.33 0.02 0.00 0.00 177.57 177.04 3i04 h GLU 191 N -0.98 0.32 -0.38 1.57 3.07 -1.51 -1.02 114.58 115.66 3i04 h GLU 191 Ca -0.09 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 58.70 3i04 h GLU 191 Cb 0.72 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 3i04 h GLU 191 CO 0.15 0.49 0.21 1.96 -1.40 0.00 0.00 179.01 180.42 3i04 h GLN 192 N 0.30 0.41 -0.42 2.33 4.20 -0.84 -0.07 115.11 121.01 3i04 h GLN 192 Ca 0.06 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3i04 h GLN 192 Cb 0.48 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3i04 h GLN 192 CO 0.03 0.27 0.09 -0.07 -0.67 0.00 0.00 178.83 178.48 3i04 h LEU 193 N 0.42 0.65 -0.73 1.46 3.38 -0.72 -2.61 115.31 117.16 3i04 h LEU 193 Ca 0.15 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3i04 h LEU 193 Cb 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3i04 h LEU 193 CO -0.09 0.73 0.25 -0.07 0.09 0.00 0.00 178.44 179.36 3i04 h LEU 194 N 0.55 1.05 -1.49 1.67 3.38 -1.05 -1.79 115.31 117.63 3i04 h LEU 194 Ca 0.13 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3i04 h LEU 194 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3i04 h LEU 194 CO 0.00 0.96 -0.21 -0.08 0.09 0.00 0.00 178.44 179.21 3i04 h GLU 195 N 1.08 0.06 -0.41 1.13 4.81 -0.92 -1.70 114.58 118.63 3i04 h GLU 195 Ca 0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3i04 h GLU 195 Cb 0.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3i04 h GLU 195 CO -0.01 0.28 0.00 0.39 -0.73 0.00 0.00 179.01 178.94 3i04 n GLU 196 N -4.26 1.53 -2.68 1.92 -0.58 -0.76 -4.90 120.64 110.91 3i04 n GLU 196 Ca -0.02 -0.61 -0.19 0.00 -0.42 0.00 0.00 57.16 55.93 3i04 n GLU 196 Cb 0.29 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.02 -5.00 -4.73 1.62 3.02 -0.64 -4.98 115.26 104.57 3i04 n ASN 197 Ca 0.06 -0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3i04 n ASN 197 Cb 0.24 -4.15 -0.05 0.00 -0.61 0.00 0.00 39.78 35.22 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 -2.91 4.54 -0.03 2.41 -7.23 -0.75 -4.99 120.40 111.44 3i04 s VAL 198 Ca 0.12 1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 61.95 3i04 s VAL 198 Cb -0.06 -4.27 -0.04 0.00 0.56 0.00 0.00 36.38 32.56 3i04 s VAL 198 CO 0.15 0.33 1.31 -0.54 -0.31 0.00 0.00 175.10 176.04 3i04 s LYS 199 N -0.06 4.31 0.16 4.82 -0.14 -1.26 -4.59 119.74 122.98 3i04 s LYS 199 Ca 0.45 1.83 0.05 0.00 -1.36 0.00 0.00 55.97 56.94 3i04 s LYS 199 Cb -0.23 -3.57 -0.05 0.00 -1.68 0.00 0.00 37.83 32.31 3i04 s LYS 199 CO 0.28 -0.52 -0.10 -0.51 -0.76 0.00 0.00 175.35 173.74 3i04 s LEU 200 N 2.32 2.52 0.00 3.17 1.43 -1.26 -4.94 118.68 121.91 3i04 s LEU 200 Ca 0.60 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3i04 s LEU 200 Cb -0.28 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.55 3i04 s LEU 200 CO 0.24 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3i04 n GLY 201 N -0.24 3.44 0.28 -3.19 0.00 0.56 -4.83 105.19 101.21 3i04 n GLY 201 Ca -0.10 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.23 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 0.79 0.71 0.00 -0.61 2.04 -1.82 -1.47 117.51 117.15 3i04 h ILE 202 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3i04 h ILE 202 Cb 0.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 3i04 h ILE 202 CO 0.00 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.72 3i04 n ASP 203 N -4.94 0.23 -0.60 1.72 8.00 -1.26 -2.06 116.55 117.64 3i04 n ASP 203 Ca 0.15 0.56 0.05 0.00 0.71 0.00 0.00 54.79 56.26 3i04 n ASP 203 Cb 0.40 -0.61 0.14 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.76 0.42 -2.81 1.24 4.01 -0.58 -3.46 117.16 114.22 3i04 n TYR 204 Ca 0.02 -0.47 -0.18 0.00 -0.16 0.00 0.00 57.90 57.11 3i04 n TYR 204 Cb 0.16 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.48 -1.01 -3.57 -0.72 5.41 -0.88 -4.51 119.36 114.57 3i04 n ILE 205 Ca 0.11 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.57 3i04 n ILE 205 Cb 0.41 -2.22 -0.14 0.00 -0.71 0.00 0.00 39.64 36.98 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 -2.85 0.95 -0.36 -1.39 0.00 -1.04 -1.48 121.76 115.58 3i04 s ALA 206 Ca 0.17 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.54 3i04 s ALA 206 Cb -0.09 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.53 3i04 s ALA 206 CO 0.21 -1.79 0.22 0.71 0.00 0.00 0.00 175.76 175.11 3i04 s TYR 207 N 1.66 3.23 -0.44 0.00 2.02 0.42 -0.33 117.35 123.90 3i04 s TYR 207 Ca 0.12 -0.67 -0.27 0.00 -0.37 0.00 0.00 57.07 55.88 3i04 s TYR 207 Cb -0.18 -2.46 0.03 0.00 -0.40 0.00 0.00 41.96 38.94 3i04 s TYR 207 CO -0.23 -0.55 1.03 -1.25 -1.57 0.00 0.00 175.55 172.98 3i04 s PRO 208 N 1.62 3.70 0.06 -1.71 0.05 -1.26 -0.62 135.00 136.84 3i04 s PRO 208 Ca 0.04 0.46 -0.04 0.00 0.05 0.00 0.00 61.00 61.51 3i04 s PRO 208 Cb -0.18 -3.89 -0.28 0.00 0.05 0.00 0.00 34.50 30.20 3i04 s PRO 208 CO 0.08 -1.23 1.08 -0.07 0.05 0.00 0.00 177.00 176.91 3i04 h LEU 209 N 10.74 0.42 0.00 -3.56 3.38 -0.93 0.11 115.31 125.47 3i04 h LEU 209 Ca -0.23 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3i04 h LEU 209 Cb 1.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3i04 h LEU 209 CO 1.06 1.38 0.00 0.61 0.09 0.00 0.00 178.44 181.58 3i04 n GLY 210 N 1.56 0.35 3.22 0.83 0.00 -1.25 -2.89 105.19 107.01 3i04 n GLY 210 Ca -0.10 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 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 1.08 1.79 1.61 0.02 -1.26 -0.82 114.94 113.36 3i04 s ASN 211 Ca 0.00 -1.16 0.00 0.00 -1.02 0.00 0.00 52.86 50.68 3i04 s ASN 211 Cb 0.00 0.14 0.00 0.00 0.02 0.00 0.00 41.25 41.41 3i04 s ASN 211 CO 0.00 -0.58 0.00 0.33 0.02 0.00 0.00 177.10 176.87 3i04 n PHE 212 N -0.20 0.00 0.34 2.20 7.35 -1.26 -1.41 117.46 124.48 3i04 n PHE 212 Ca -0.07 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.67 3i04 n PHE 212 Cb 0.63 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.69 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 1.29 0.31 -2.13 -2.24 -1.26 -2.14 114.28 108.11 3i04 n THR 213 Ca 0.00 0.33 0.20 0.00 -2.27 0.00 0.00 64.05 62.32 3i04 n THR 213 Cb 0.00 -1.17 1.02 0.00 -2.10 0.00 0.00 70.33 68.08 3i04 n THR 213 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3i04 h GLN 214 N 0.00 0.00 -1.33 -0.78 7.50 -1.58 -2.00 115.11 116.91 3i04 h GLN 214 Ca 0.00 0.00 0.45 0.00 0.50 0.00 0.00 58.65 59.60 3i04 h GLN 214 Cb 0.18 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.57 3i04 h GLN 214 CO 0.00 0.01 0.85 0.97 -1.50 0.00 0.00 178.83 179.16 3i04 h ILE 215 N 0.00 0.08 0.00 2.54 6.09 -1.63 0.55 117.51 125.15 3i04 h ILE 215 Ca -0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3i04 h ILE 215 Cb 0.18 0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.49 3i04 h ILE 215 CO 0.00 0.01 0.00 0.55 -3.07 0.00 0.00 178.15 175.64 3i04 n VAL 216 N -4.72 1.08 1.24 2.19 3.14 -0.75 -1.34 118.33 119.16 3i04 n VAL 216 Ca 0.38 0.44 0.14 0.00 -2.96 0.00 0.00 64.34 62.35 3i04 n VAL 216 Cb 1.47 -1.38 0.70 0.00 -1.06 0.00 0.00 33.84 33.57 3i04 n VAL 216 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3i04 n HIS 217 N -2.05 0.00 0.03 1.45 8.25 0.18 -1.10 115.22 121.98 3i04 n HIS 217 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 3i04 n HIS 217 Cb 0.12 -0.38 -0.12 0.00 1.12 0.00 0.00 29.99 30.74 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 3.24 0.02 0.02 -1.41 0.00 -1.39 -3.28 119.26 116.46 3i04 h ALA 218 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3i04 h ALA 218 Cb 0.38 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i04 h ALA 218 CO 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.65 3i04 h ALA 219 N 0.25 -0.02 0.00 0.00 0.00 -1.49 -1.71 119.26 116.28 3i04 h ALA 219 Ca -0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3i04 h ALA 219 Cb 1.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3i04 h ALA 219 CO 0.15 -0.50 -0.13 -2.95 0.00 0.00 0.00 179.25 175.82 3i04 h ASN 220 N -0.06 0.00 0.45 0.00 7.08 -1.30 -0.89 115.58 120.85 3i04 h ASN 220 Ca -0.00 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.20 3i04 h ASN 220 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 3i04 h ASN 220 CO 0.00 0.13 -0.22 0.22 -2.08 0.00 0.00 177.43 175.49 3i04 h TYR 221 N 0.00 -0.56 -0.40 4.14 5.03 -1.60 -2.76 116.97 120.82 3i04 h TYR 221 Ca -0.00 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.37 3i04 h TYR 221 Cb 0.78 0.18 -0.07 0.00 1.55 0.00 0.00 36.73 39.18 3i04 h TYR 221 CO 0.00 -0.25 -0.03 0.00 -1.32 0.00 0.00 178.16 176.56 3i04 h ALA 222 N -0.83 0.34 -0.13 1.82 0.00 -1.14 -2.05 119.26 117.27 3i04 h ALA 222 Ca -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 222 Cb 0.55 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i04 h ALA 222 CO 0.10 -0.41 0.02 -0.07 0.00 0.00 0.00 179.25 178.89 3i04 h LEU 223 N 0.07 0.16 -1.13 0.00 3.38 -1.26 -2.01 115.31 114.53 3i04 h LEU 223 Ca 0.20 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3i04 h LEU 223 Cb 0.29 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3i04 h LEU 223 CO -0.35 0.18 0.23 0.03 0.09 0.00 0.00 178.44 178.62 3i04 h ARG 224 N 0.18 0.85 -0.97 1.13 3.08 -1.06 -3.05 114.38 114.54 3i04 h ARG 224 Ca 0.05 -0.13 0.22 0.00 0.07 0.00 0.00 59.98 60.18 3i04 h ARG 224 Cb 0.10 -0.15 -0.12 0.00 0.08 0.00 0.00 29.97 29.88 3i04 h ARG 224 CO -0.00 0.70 0.55 0.00 -1.07 0.00 0.00 179.97 180.15 3i04 h ALA 225 N 1.42 1.65 0.02 0.04 0.00 -1.33 0.25 119.26 121.30 3i04 h ALA 225 Ca 0.20 0.11 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 3i04 h ALA 225 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 225 CO -0.02 -0.20 -0.94 0.78 0.00 0.00 0.00 179.25 178.87 3i04 h GLY 226 N 0.61 0.20 1.99 0.00 0.00 -1.66 -2.06 103.07 102.14 3i04 h GLY 226 Ca 0.60 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 3i04 h GLY 226 CO -0.45 0.34 -0.88 -0.33 0.00 0.00 0.00 176.54 175.22 3i04 h MET 227 N 0.09 0.01 0.00 4.80 2.07 -1.07 -0.53 114.93 120.30 3i04 h MET 227 Ca -0.05 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 3i04 h MET 227 Cb 1.60 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.33 3i04 h MET 227 CO 0.14 0.88 0.00 -1.33 1.07 0.00 0.00 176.91 177.68 3i04 n MET 228 N -3.50 0.00 -0.20 1.72 2.81 0.70 -3.77 117.12 114.88 3i04 n MET 228 Ca -0.01 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 3i04 n MET 228 Cb 0.84 -0.06 0.02 0.00 -0.71 0.00 0.00 33.22 33.31 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 0.86 0.00 2.03 0.04 -1.59 -2.30 116.94 115.98 3i04 h PHE 229 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3i04 h PHE 229 Cb 0.00 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.89 3i04 h PHE 229 CO 0.00 0.69 0.00 0.78 -0.60 0.00 0.00 178.31 179.18 3i04 h GLY 230 N 0.79 0.00 -0.65 -1.45 0.00 -1.30 -3.33 103.07 97.12 3i04 h GLY 230 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.24 3i04 h GLY 230 CO -0.02 0.00 -0.25 0.61 0.00 0.00 0.00 176.54 176.88 3i04 n GLY 231 N 0.17 1.39 3.69 4.60 0.00 -0.87 -4.77 105.19 109.39 3i04 n GLY 231 Ca 0.01 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.37 3.88 -0.06 1.61 1.01 -0.25 -4.90 120.40 119.32 3i04 s VAL 232 Ca 0.00 1.24 -0.37 0.00 0.00 0.00 0.00 61.98 62.86 3i04 s VAL 232 Cb 0.00 -3.80 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 3i04 s VAL 232 CO 0.00 -0.00 1.65 0.41 0.00 0.00 0.00 175.10 177.16 3i04 n THR 233 N 4.66 0.25 -1.67 3.92 -1.04 -1.26 -4.46 114.28 114.68 3i04 n THR 233 Ca 0.12 -0.04 -0.49 0.00 -2.04 0.00 0.00 64.05 61.60 3i04 n THR 233 Cb 0.44 -1.36 -0.05 0.00 -1.82 0.00 0.00 70.33 67.55 3i04 n THR 233 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3i04 n PRO 234 N 4.66 1.96 0.00 -2.82 -0.02 -1.26 -1.98 135.00 135.54 3i04 n PRO 234 Ca 0.22 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3i04 n PRO 234 Cb 0.22 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 3.75 2.29 3.27 -1.23 0.00 0.16 -4.35 105.19 109.08 3i04 n GLY 235 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.88 4.29 -0.20 4.61 0.00 -0.84 -4.60 120.51 121.90 3i04 n ALA 236 Ca 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 53.44 49.51 3i04 n ALA 236 Cb 0.00 -3.53 0.08 0.00 0.00 0.00 0.00 19.45 15.99 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 6.96 0.57 -0.23 0.00 2.43 -1.80 -1.40 114.38 120.91 3i04 h ARG 237 Ca 0.48 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 3i04 h ARG 237 Cb 0.79 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3i04 h ARG 237 CO 1.59 0.38 0.04 0.93 -1.51 0.00 0.00 179.97 181.40 3i04 h GLU 238 N 0.59 0.37 -0.91 0.20 4.39 -1.93 -1.76 114.58 115.53 3i04 h GLU 238 Ca 0.26 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.90 3i04 h GLU 238 Cb 0.17 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 3i04 h GLU 238 CO -0.18 0.50 0.60 0.93 -1.16 0.00 0.00 179.01 179.71 3i04 h GLU 239 N 0.18 1.11 0.33 2.33 5.08 -1.90 0.33 114.58 122.05 3i04 h GLU 239 Ca 0.07 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3i04 h GLU 239 Cb 0.31 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3i04 h GLU 239 CO 0.00 0.74 -0.16 1.96 -1.00 0.00 0.00 179.01 180.55 3i04 h GLN 240 N 1.15 -0.42 -0.69 2.33 1.08 -1.08 -1.36 115.11 116.11 3i04 h GLN 240 Ca 0.36 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.62 3i04 h GLN 240 Cb 0.02 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 3i04 h GLN 240 CO -0.11 -0.26 0.44 0.00 -0.95 0.00 0.00 178.83 177.95 3i04 h ARG 241 N -0.47 0.84 -0.64 1.46 3.08 -1.19 -1.48 114.38 115.98 3i04 h ARG 241 Ca -0.04 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3i04 h ARG 241 Cb 0.35 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 3i04 h ARG 241 CO 0.07 0.56 0.41 0.22 -1.07 0.00 0.00 179.97 180.16 3i04 h ASP 242 N 0.87 0.69 -0.57 7.04 3.58 -0.75 -1.41 116.42 125.87 3i04 h ASP 242 Ca 0.27 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.74 3i04 h ASP 242 Cb -0.01 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 3i04 h ASP 242 CO -0.10 0.49 0.35 0.22 -2.88 0.00 0.00 179.24 177.32 3i04 h TYR 243 N 0.82 0.65 0.09 0.28 5.03 -0.80 -1.09 116.97 121.96 3i04 h TYR 243 Ca 0.25 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.59 3i04 h TYR 243 Cb -0.04 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 3i04 h TYR 243 CO -0.04 0.38 -0.16 1.96 -1.32 0.00 0.00 178.16 178.98 3i04 h GLN 244 N 0.69 -0.31 -0.55 1.82 1.08 -0.92 0.31 115.11 117.24 3i04 h GLN 244 Ca 0.22 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.49 3i04 h GLN 244 Cb 0.00 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 3i04 h GLN 244 CO -0.09 -0.20 0.29 -0.09 -0.95 0.00 0.00 178.83 177.78 3i04 h ARG 245 N -0.32 0.54 -0.07 1.46 9.65 -1.09 0.23 114.38 124.78 3i04 h ARG 245 Ca 0.02 -0.03 -0.24 0.00 -1.10 0.00 0.00 59.98 58.63 3i04 h ARG 245 Cb 0.34 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3i04 h ARG 245 CO -0.09 0.35 -0.89 0.00 2.80 0.00 0.00 179.97 182.14 3i04 h ARG 246 N 0.55 0.69 0.00 0.20 3.08 -1.05 -3.40 114.38 114.45 3i04 h ARG 246 Ca 0.24 -0.65 -0.14 0.00 0.07 0.00 0.00 59.98 59.50 3i04 h ARG 246 Cb 0.13 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3i04 h ARG 246 CO -0.16 1.25 -1.59 0.54 -1.07 0.00 0.00 179.97 178.94 3i04 n ARG 247 N -3.88 2.32 -3.30 0.04 5.12 0.08 -4.87 116.66 112.17 3i04 n ARG 247 Ca -0.08 -0.01 -0.46 0.00 -1.93 0.00 0.00 57.85 55.36 3i04 n ARG 247 Cb 0.81 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.84 3i04 n ARG 247 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i04 s ILE 248 N -2.26 5.37 -1.44 0.55 -1.09 0.78 -4.95 121.20 118.17 3i04 s ILE 248 Ca -0.04 -1.94 -0.10 0.00 -2.23 0.00 0.00 60.65 56.34 3i04 s ILE 248 Cb 0.03 -4.42 0.05 0.00 -1.58 0.00 0.00 42.46 36.54 3i04 s ILE 248 CO 0.37 -0.97 2.41 0.54 -1.23 0.00 0.00 174.94 176.05 3i04 n ARG 249 N 4.72 3.71 -4.12 2.79 3.00 -1.26 -4.64 116.66 120.86 3i04 n ARG 249 Ca 0.00 -2.90 -0.31 0.00 -0.01 0.00 0.00 57.85 54.64 3i04 n ARG 249 Cb 0.44 -2.90 -0.07 0.00 0.00 0.00 0.00 32.46 29.92 3i04 n ARG 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i04 s ALA 250 N 1.19 3.41 0.06 7.54 0.00 -1.26 -1.20 121.76 131.51 3i04 s ALA 250 Ca 0.54 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 3i04 s ALA 250 Cb 0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 3i04 s ALA 250 CO -0.06 0.71 0.00 -0.59 0.00 0.00 0.00 175.76 175.82 3i04 s PHE 251 N -1.30 0.53 -0.16 0.00 -0.12 -0.99 -4.20 117.98 111.75 3i04 s PHE 251 Ca 0.26 -1.05 -0.03 0.00 -0.05 0.00 0.00 56.93 56.06 3i04 s PHE 251 Cb -0.12 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.88 3i04 s PHE 251 CO 0.18 -0.41 -0.04 0.08 -0.05 0.00 0.00 175.22 174.97 3i04 s VAL 252 N -3.93 3.80 -0.49 -2.49 1.01 -0.64 -1.69 120.40 115.96 3i04 s VAL 252 Ca 0.09 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 3i04 s VAL 252 Cb 0.08 -2.66 0.09 0.00 0.00 0.00 0.00 36.38 33.88 3i04 s VAL 252 CO -0.09 0.49 0.42 -0.76 0.00 0.00 0.00 175.10 175.17 3i04 s LEU 253 N 0.45 5.77 -0.53 3.92 1.43 0.47 -0.73 118.68 129.46 3i04 s LEU 253 Ca -0.04 -1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 51.44 3i04 s LEU 253 Cb -0.14 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 43.97 3i04 s LEU 253 CO 0.03 -0.70 0.58 -0.47 0.23 0.00 0.00 176.35 176.01 3i04 s TYR 254 N 1.64 3.11 -0.12 0.29 6.14 -0.27 -0.83 117.35 127.30 3i04 s TYR 254 Ca 0.04 -0.88 -0.03 0.00 0.64 0.00 0.00 57.07 56.84 3i04 s TYR 254 Cb -0.26 -3.64 -0.03 0.00 0.42 0.00 0.00 41.96 38.45 3i04 s TYR 254 CO 0.06 -1.06 -0.00 -0.51 0.64 0.00 0.00 175.55 174.68 3i04 s LEU 255 N 2.25 3.50 0.00 6.97 1.43 0.11 -2.67 118.68 130.26 3i04 s LEU 255 Ca 0.09 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3i04 s LEU 255 Cb -0.24 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3i04 s LEU 255 CO 0.07 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.54 3i04 n GLY 256 N 2.84 -2.38 3.65 -3.19 0.00 -1.07 -0.90 105.19 104.14 3i04 n GLY 256 Ca -0.18 -1.68 -0.46 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.27 1.89 -2.67 1.61 2.13 -1.26 -4.80 120.64 117.26 3i04 n GLU 257 Ca 0.00 0.67 -0.32 0.00 0.66 0.00 0.00 57.16 58.18 3i04 n GLU 257 Cb 0.00 -2.33 -0.04 0.00 0.27 0.00 0.00 31.44 29.34 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 0.10 3.42 0.08 4.31 3.76 -1.26 -4.96 115.29 120.74 3i04 s HIS 258 Ca 0.71 1.37 0.02 0.00 -0.15 0.00 0.00 55.06 57.01 3i04 s HIS 258 Cb -0.70 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 3i04 s HIS 258 CO 0.48 -0.20 -0.07 0.16 -0.85 0.00 0.00 174.74 174.25 3i04 s ASP 259 N -2.82 1.09 0.40 1.40 -4.77 -1.26 -5.06 116.67 105.65 3i04 s ASP 259 Ca 0.57 -0.85 0.08 0.00 -3.30 0.00 0.00 52.55 49.06 3i04 s ASP 259 Cb -0.10 0.07 0.81 0.00 -1.09 0.00 0.00 42.92 42.61 3i04 s ASP 259 CO 0.26 -0.36 1.97 0.00 0.70 0.00 0.00 175.17 177.74 3i04 h MET 260 N 3.50 0.36 -0.10 2.11 -0.00 -1.98 -0.55 114.93 118.27 3i04 h MET 260 Ca -0.36 -0.06 -0.09 0.00 -0.00 0.00 0.00 59.70 59.19 3i04 h MET 260 Cb 1.18 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 3i04 h MET 260 CO 0.56 0.37 -0.30 0.28 -0.00 0.00 0.00 176.91 177.82 3i04 h VAL 261 N 0.36 1.39 -0.96 -0.10 2.07 -1.88 -0.87 116.25 116.27 3i04 h VAL 261 Ca 0.08 -1.63 0.11 0.00 0.82 0.00 0.00 66.70 66.08 3i04 h VAL 261 Cb 0.20 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 3i04 h VAL 261 CO 0.00 0.48 0.59 0.11 0.02 0.00 0.00 177.57 178.77 3i04 h LYS 262 N -0.05 0.94 -0.27 1.57 1.57 -1.88 -0.76 116.57 117.69 3i04 h LYS 262 Ca -0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3i04 h LYS 262 Cb 0.92 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3i04 h LYS 262 CO 0.06 0.62 -0.05 1.15 -0.57 0.00 0.00 179.45 180.67 3i04 h THR 263 N 0.97 1.28 -0.71 -0.16 2.02 -1.06 -0.31 112.91 114.94 3i04 h THR 263 Ca 0.46 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.62 3i04 h THR 263 Cb 0.42 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3i04 h THR 263 CO -0.25 0.33 0.45 0.00 0.37 0.00 0.00 175.52 176.42 3i04 h ALA 264 N 0.79 0.91 -0.78 6.16 0.00 -0.86 -1.64 119.26 123.84 3i04 h ALA 264 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 264 Cb 0.51 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3i04 h ALA 264 CO 0.02 0.25 0.46 0.00 0.00 0.00 0.00 179.25 179.99 3i04 h ALA 265 N 1.29 1.00 -0.94 0.00 0.00 -1.01 -2.29 119.26 117.29 3i04 h ALA 265 Ca 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3i04 h ALA 265 Cb -0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 3i04 h ALA 265 CO -0.09 0.47 0.63 0.00 0.00 0.00 0.00 179.25 180.26 3i04 h ALA 266 N 1.25 1.34 0.00 0.00 0.00 -0.76 -1.22 119.26 119.86 3i04 h ALA 266 Ca 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3i04 h ALA 266 Cb -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3i04 h ALA 266 CO -0.05 0.60 -0.03 0.74 0.00 0.00 0.00 179.25 180.51 3i04 h PHE 267 N 1.26 0.00 -0.47 0.00 0.04 -0.77 -1.52 116.94 115.48 3i04 h PHE 267 Ca 0.35 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.04 3i04 h PHE 267 Cb -0.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3i04 h PHE 267 CO -0.00 0.03 -0.03 0.78 -0.60 0.00 0.00 178.31 178.49 3i04 h GLY 268 N 0.17 0.85 0.90 -1.45 0.00 -0.71 -0.81 103.07 102.03 3i04 h GLY 268 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 3i04 h GLY 268 CO 0.00 0.55 0.03 0.00 0.00 0.00 0.00 176.54 177.13 3i04 h ALA 269 N 1.23 0.44 -0.27 3.60 0.00 -1.10 -2.91 119.26 120.25 3i04 h ALA 269 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3i04 h ALA 269 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3i04 h ALA 269 CO 0.03 0.16 0.11 0.82 0.00 0.00 0.00 179.25 180.37 3i04 h ILE 270 N 0.38 0.97 -1.33 0.00 2.04 -1.29 -0.59 117.51 117.68 3i04 h ILE 270 Ca 0.10 -0.09 0.43 0.00 1.00 0.00 0.00 64.86 66.31 3i04 h ILE 270 Cb 0.39 0.69 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 3i04 h ILE 270 CO 0.01 0.05 0.87 0.15 0.00 0.00 0.00 178.15 179.22 3i04 h PHE 271 N 0.25 0.50 -0.01 1.37 3.57 -1.06 0.06 116.94 121.62 3i04 h PHE 271 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3i04 h PHE 271 Cb 0.06 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.67 3i04 h PHE 271 CO -0.11 -0.19 -0.38 2.41 -2.23 0.00 0.00 178.31 177.81 3i04 n THR 272 N -4.66 0.00 0.00 4.41 -1.04 -0.69 -4.95 114.28 107.35 3i04 n THR 272 Ca 0.37 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3i04 n THR 272 Cb 1.44 1.00 0.00 0.00 -1.82 0.00 0.00 70.33 70.94 3i04 n THR 272 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i04 n GLY 273 N 1.39 1.19 3.63 3.41 0.00 0.01 -3.88 105.19 110.94 3i04 n GLY 273 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 3.26 0.50 1.61 0.08 -0.32 -4.85 117.98 116.27 3i04 s PHE 274 Ca 0.00 0.08 -0.18 0.00 0.12 0.00 0.00 56.93 56.96 3i04 s PHE 274 Cb 0.00 -2.13 -0.08 0.00 -0.57 0.00 0.00 43.02 40.24 3i04 s PHE 274 CO 0.00 0.12 0.99 -1.25 -0.10 0.00 0.00 175.22 174.97 3i04 s PRO 275 N 0.57 3.93 -0.19 0.24 0.04 -1.26 -2.92 135.00 135.41 3i04 s PRO 275 Ca 0.04 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 3i04 s PRO 275 Cb -0.13 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 3i04 s PRO 275 CO 0.01 -0.29 -0.11 0.08 0.04 0.00 0.00 177.00 176.73 3i04 s VAL 276 N -2.44 2.88 -0.20 -0.36 1.01 0.01 -1.63 120.40 119.68 3i04 s VAL 276 Ca 0.61 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3i04 s VAL 276 Cb -0.11 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3i04 s VAL 276 CO 0.26 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 175.15 3i04 s ILE 277 N 1.18 3.33 0.05 2.22 1.09 0.09 -2.15 121.20 127.01 3i04 s ILE 277 Ca 0.02 -0.52 0.03 0.00 -1.10 0.00 0.00 60.65 59.08 3i04 s ILE 277 Cb -0.14 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 3i04 s ILE 277 CO -0.04 0.45 -0.01 0.28 -0.10 0.00 0.00 174.94 175.52 3i04 s THR 278 N 1.14 4.03 -1.81 2.92 -1.32 -0.39 -1.12 115.64 119.09 3i04 s THR 278 Ca 0.02 -0.82 0.28 0.00 -1.21 0.00 0.00 61.69 59.96 3i04 s THR 278 Cb -0.14 -2.86 0.71 0.00 -1.51 0.00 0.00 72.50 68.70 3i04 s THR 278 CO -0.01 0.24 2.02 -0.90 -2.21 0.00 0.00 174.62 173.77 3i04 n ASP 279 N 0.97 0.00 -4.79 8.08 5.75 -1.09 -0.59 116.55 124.89 3i04 n ASP 279 Ca -0.13 -0.64 -0.39 0.00 -0.01 0.00 0.00 54.79 53.62 3i04 n ASP 279 Cb 0.52 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.46 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 -2.19 4.44 0.28 0.11 -1.52 -1.26 -4.40 119.66 115.12 3i04 s GLN 280 Ca 0.38 1.01 -0.29 0.00 -1.95 0.00 0.00 55.36 54.51 3i04 s GLN 280 Cb 0.19 -3.26 -0.10 0.00 -0.22 0.00 0.00 33.01 29.63 3i04 s GLN 280 CO 0.36 0.59 1.31 -1.25 -0.25 0.00 0.00 175.29 176.06 3i04 s PRO 281 N -1.12 4.37 -0.08 2.91 0.04 -1.26 -4.58 135.00 135.28 3i04 s PRO 281 Ca 0.33 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.57 3i04 s PRO 281 Cb -0.22 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 3i04 s PRO 281 CO 0.24 -0.21 -0.22 -0.51 0.04 0.00 0.00 177.00 176.34 3i04 s LEU 282 N -1.10 2.01 0.98 -3.56 1.43 -1.26 -5.08 118.68 112.11 3i04 s LEU 282 Ca 0.52 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 3i04 s LEU 282 Cb -0.39 -1.30 0.12 0.00 0.03 0.00 0.00 46.19 44.66 3i04 s LEU 282 CO 0.46 0.16 0.76 -2.65 0.23 0.00 0.00 176.35 175.31 3i04 n PRO 283 N 3.44 -0.77 -0.31 1.29 -0.01 -1.26 -4.88 135.00 132.50 3i04 n PRO 283 Ca -0.19 -0.18 0.05 0.00 -0.01 0.00 0.00 63.50 63.17 3i04 n PRO 283 Cb 0.53 -2.10 0.25 0.00 -0.01 0.00 0.00 33.50 32.16 3i04 n PRO 283 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3i04 h GLU 284 N -1.91 0.98 -0.65 -0.52 5.08 -2.00 -1.60 114.58 113.96 3i04 h GLU 284 Ca -0.47 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3i04 h GLU 284 Cb 1.29 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3i04 h GLU 284 CO 0.39 0.65 0.00 -0.40 -1.00 0.00 0.00 179.01 178.65 3i04 n ASP 285 N -4.51 2.63 -0.35 1.42 3.85 -1.26 -3.71 116.55 114.62 3i04 n ASP 285 Ca 0.15 -2.27 0.07 0.00 -0.71 0.00 0.00 54.79 52.02 3i04 n ASP 285 Cb 0.23 -0.46 0.11 0.00 -1.35 0.00 0.00 41.12 39.66 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 0.34 0.98 -4.01 0.11 4.76 -0.60 -2.93 118.16 116.79 3i04 n LYS 286 Ca 0.12 -2.34 -0.08 0.00 -2.87 0.00 0.00 58.31 53.14 3i04 n LYS 286 Cb 0.53 -1.21 -0.10 0.00 -1.84 0.00 0.00 35.03 32.42 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 -2.14 0.49 -0.16 1.97 1.03 -1.24 -4.85 119.66 114.76 3i04 s GLN 287 Ca 0.26 -0.89 -0.01 0.00 0.04 0.00 0.00 55.36 54.76 3i04 s GLN 287 Cb 0.24 0.18 0.05 0.00 0.03 0.00 0.00 33.01 33.51 3i04 s GLN 287 CO -0.01 -0.10 -0.01 0.42 -2.54 0.00 0.00 175.29 173.06 3i04 s ILE 288 N -2.70 0.77 0.46 3.63 1.01 0.79 -4.64 121.20 120.52 3i04 s ILE 288 Ca -0.04 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.91 3i04 s ILE 288 Cb -0.01 -1.06 -0.09 0.00 0.01 0.00 0.00 42.46 41.31 3i04 s ILE 288 CO -0.05 0.03 0.99 -2.65 0.00 0.00 0.00 174.94 173.26 3i04 n PRO 289 N 4.98 1.25 0.00 2.79 -0.02 -1.26 -0.73 135.00 142.02 3i04 n PRO 289 Ca -0.10 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3i04 n PRO 289 Cb 0.48 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.26 0.00 0.00 2.55 8.00 -1.26 -4.62 116.55 121.48 3i04 n ASP 290 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3i04 n ASP 290 Cb 0.41 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.50 0.00 -3.25 1.24 7.02 -0.73 -4.70 117.44 115.52 3i04 n TRP 291 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 3i04 n TRP 291 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 -1.98 -1.35 0.22 -5.99 2.19 0.10 -0.81 117.98 110.37 3i04 s PHE 292 Ca 0.00 0.07 -0.09 0.00 0.33 0.00 0.00 56.93 57.24 3i04 s PHE 292 Cb 0.00 0.11 -0.01 0.00 -1.31 0.00 0.00 43.02 41.81 3i04 s PHE 292 CO 0.00 -1.11 0.36 -0.59 1.83 0.00 0.00 175.22 175.71 3i04 s PHE 293 N 1.87 0.59 -0.18 10.12 -0.12 -0.91 -0.15 117.98 129.20 3i04 s PHE 293 Ca 0.15 -0.91 -0.10 0.00 -0.05 0.00 0.00 56.93 56.02 3i04 s PHE 293 Cb -0.08 -0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 3i04 s PHE 293 CO -0.09 -0.86 0.15 0.45 -0.05 0.00 0.00 175.22 174.81 3i04 s SER 294 N -3.05 6.27 -0.25 1.98 0.15 -1.26 -1.27 113.70 116.27 3i04 s SER 294 Ca 0.26 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 3i04 s SER 294 Cb 0.02 -2.09 0.08 0.00 -1.71 0.00 0.00 66.02 62.31 3i04 s SER 294 CO 0.09 0.22 0.04 -0.69 1.20 0.00 0.00 173.24 174.11 3i04 s VAL 295 N 0.05 0.93 -0.22 4.45 1.01 0.24 -4.92 120.40 121.95 3i04 s VAL 295 Ca 0.10 -1.09 0.19 0.00 0.00 0.00 0.00 61.98 61.17 3i04 s VAL 295 Cb -0.11 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.81 3i04 s VAL 295 CO -0.00 -0.39 1.22 -0.33 0.00 0.00 0.00 175.10 175.60 3i04 h GLU 296 N 8.10 0.00 -6.19 2.72 5.08 -1.77 -3.33 114.58 119.18 3i04 h GLU 296 Ca -0.15 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.62 3i04 h GLU 296 Cb 1.06 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.21 3i04 h GLU 296 CO 0.41 0.24 0.74 0.34 -1.00 0.00 0.00 179.01 179.74 3i04 s ASP 297 N -5.99 6.40 0.59 1.42 -1.08 -1.26 -4.88 116.67 111.87 3i04 s ASP 297 Ca 0.02 -0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.22 3i04 s ASP 297 Cb 0.08 -2.49 1.63 0.00 -1.46 0.00 0.00 42.92 40.68 3i04 s ASP 297 CO 0.76 -1.32 2.08 1.88 0.52 0.00 0.00 175.17 179.09 3i04 h TYR 298 N 9.39 0.00 0.00 -5.34 -1.99 -1.99 0.16 116.97 117.20 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 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 3i04 h TYR 298 CO 0.96 0.00 0.00 -0.44 -0.00 0.00 0.00 178.16 178.68 3i04 h ASP 299 N 0.00 0.00 -0.00 3.88 3.45 -1.98 -3.21 116.42 118.56 3i04 h ASP 299 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3i04 h ASP 299 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3i04 h ASP 299 CO -0.00 0.00 -0.80 0.29 -1.57 0.00 0.00 179.24 177.16 3i04 n LYS 300 N -2.74 1.08 0.18 3.56 5.02 0.03 -4.75 118.16 120.54 3i04 n LYS 300 Ca 0.03 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.05 3i04 n LYS 300 Cb 0.40 -1.35 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.25 0.10 0.31 -0.18 2.04 -1.52 0.73 117.51 119.24 3i04 h ILE 301 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3i04 h ILE 301 Cb 0.45 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3i04 h ILE 301 CO 0.00 0.00 -0.18 0.58 0.00 0.00 0.00 178.15 178.55 3i04 h VAL 302 N -0.78 0.63 -0.63 1.67 2.07 -1.85 0.13 116.25 117.48 3i04 h VAL 302 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3i04 h VAL 302 Cb 0.75 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3i04 h VAL 302 CO -0.19 0.00 0.34 -0.61 0.02 0.00 0.00 177.57 177.14 3i04 h GLN 303 N -0.47 0.62 -0.39 1.57 4.15 -1.84 0.25 115.11 119.01 3i04 h GLN 303 Ca -0.03 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 3i04 h GLN 303 Cb 0.38 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3i04 h GLN 303 CO 0.04 0.41 -0.13 0.82 -1.93 0.00 0.00 178.83 178.04 3i04 h ILE 304 N 0.64 1.28 -0.10 2.39 2.04 -0.52 -0.48 117.51 122.76 3i04 h ILE 304 Ca 0.28 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.94 3i04 h ILE 304 Cb 0.17 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3i04 h ILE 304 CO -0.17 0.41 -0.20 0.00 0.00 0.00 0.00 178.15 178.19 3i04 h ALA 305 N 0.83 -0.17 -0.28 1.87 0.00 -0.19 0.40 119.26 121.72 3i04 h ALA 305 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 305 Cb 0.67 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3i04 h ALA 305 CO 0.05 -0.66 0.14 0.52 0.00 0.00 0.00 179.25 179.30 3i04 h MET 306 N -0.26 0.29 -0.16 0.00 2.86 -0.87 0.54 114.93 117.33 3i04 h MET 306 Ca 0.09 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3i04 h MET 306 Cb 0.39 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3i04 h MET 306 CO -0.25 0.19 -0.00 0.93 1.06 0.00 0.00 176.91 178.84 3i04 h GLU 307 N 0.30 0.05 -0.57 1.72 5.08 -0.83 0.19 114.58 120.52 3i04 h GLU 307 Ca 0.11 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3i04 h GLU 307 Cb 0.03 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3i04 h GLU 307 CO -0.08 0.03 0.30 1.15 -1.00 0.00 0.00 179.01 179.42 3i04 h THR 308 N 0.05 0.96 0.00 1.13 2.02 0.03 -2.85 112.91 114.25 3i04 h THR 308 Ca 0.07 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 3i04 h THR 308 Cb 0.09 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3i04 h THR 308 CO -0.12 0.10 -0.43 -0.09 0.37 0.00 0.00 175.52 175.35 3i04 h ARG 309 N 0.57 0.00 0.00 6.66 9.65 -0.56 -3.48 114.38 127.23 3i04 h ARG 309 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 3i04 h ARG 309 Cb 0.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 3i04 h ARG 309 CO -0.17 0.43 0.00 0.41 2.80 0.00 0.00 179.97 183.44 3i04 n GLY 310 N -0.00 1.43 3.64 2.80 0.00 0.44 -5.03 105.19 108.48 3i04 n GLY 310 Ca -0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 5.09 -0.03 -0.61 1.01 0.19 -5.01 121.20 119.84 3i04 s ILE 311 Ca 0.00 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.64 3i04 s ILE 311 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3i04 s ILE 311 CO 0.00 0.14 -0.23 -0.54 0.00 0.00 0.00 174.94 174.31 3i04 s LYS 312 N 1.90 2.04 0.15 2.79 -0.14 -1.26 -4.45 119.74 120.77 3i04 s LYS 312 Ca 0.23 -0.84 -0.13 0.00 -1.36 0.00 0.00 55.97 53.87 3i04 s LYS 312 Cb -0.15 -1.89 0.02 0.00 -1.68 0.00 0.00 37.83 34.12 3i04 s LYS 312 CO 0.09 0.45 0.37 -0.48 -0.76 0.00 0.00 175.35 175.03 3i04 s LEU 313 N -0.41 0.63 0.14 3.17 0.05 -1.26 -5.05 118.68 115.95 3i04 s LEU 313 Ca 0.05 -0.57 0.00 0.00 0.05 0.00 0.00 54.13 53.66 3i04 s LEU 313 Cb -0.10 1.61 0.00 0.00 -2.05 0.00 0.00 46.19 45.65 3i04 s LEU 313 CO 0.00 -0.90 0.00 0.41 -0.55 0.00 0.00 176.35 175.31 3i04 n THR 314 N -0.23 0.79 -1.37 5.48 -1.04 -1.26 -5.07 114.28 111.58 3i04 n THR 314 Ca -0.12 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3i04 n THR 314 Cb 0.63 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 3i04 n THR 314 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i04 n LYS 315 N -3.38 0.00 0.00 -2.82 4.01 -1.26 -3.65 118.16 111.06 3i04 n LYS 315 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i04 n LYS 315 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3i04 n LYS 315 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 3i04 n ILE 316 N -0.19 0.00 -1.65 -0.18 3.06 -1.26 -4.75 119.36 114.39 3i04 n ILE 316 Ca 0.00 0.00 -0.51 0.00 -2.50 0.00 0.00 62.75 59.74 3i04 n ILE 316 Cb 0.00 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.12 3i04 n ILE 316 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3i04 n LYS 317 N 0.00 1.59 -2.68 9.51 3.00 -1.24 -4.91 118.16 123.43 3i04 n LYS 317 Ca 0.00 0.58 -0.38 0.00 -0.00 0.00 0.00 58.31 58.51 3i04 n LYS 317 Cb 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 35.03 32.68 3i04 n LYS 317 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3i04 s LEU 318 N 1.96 4.41 -0.84 3.14 0.20 -1.26 -4.99 118.68 121.30 3i04 s LEU 318 Ca 0.88 1.98 -0.19 0.00 0.69 0.00 0.00 54.13 57.49 3i04 s LEU 318 Cb -0.86 -3.88 0.13 0.00 -0.43 0.00 0.00 46.19 41.14 3i04 s LEU 318 CO 0.50 -0.11 1.01 -0.62 -0.29 0.00 0.00 176.35 176.85 3i04 s ASP 319 N -1.38 6.52 0.16 3.68 2.15 -1.26 -4.99 116.67 121.55 3i04 s ASP 319 Ca 0.48 -1.87 0.05 0.00 0.43 0.00 0.00 52.55 51.65 3i04 s ASP 319 Cb -0.23 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 3i04 s ASP 319 CO 0.29 -1.08 -0.12 -0.76 -0.17 0.00 0.00 175.17 173.34 3i04 s LEU 320 N 2.65 2.52 0.14 -1.34 1.43 -1.26 -5.03 118.68 117.79 3i04 s LEU 320 Ca 0.27 -0.98 0.26 0.00 -1.03 0.00 0.00 54.13 52.65 3i04 s LEU 320 Cb -0.10 -0.45 0.94 0.00 0.03 0.00 0.00 46.19 46.61 3i04 s LEU 320 CO -0.05 -0.27 1.80 -0.81 0.23 0.00 0.00 176.35 177.26 3i04 n PRO 321 N -0.13 0.17 -4.15 1.29 -0.04 -1.26 -4.83 135.00 126.04 3i04 n PRO 321 Ca -0.10 0.18 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 3i04 n PRO 321 Cb 0.60 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 3i04 n PRO 321 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i04 s ILE 322 N -3.09 4.05 0.78 0.52 -4.36 -1.26 -4.76 121.20 113.07 3i04 s ILE 322 Ca 0.11 -1.25 -0.11 0.00 -0.26 0.00 0.00 60.65 59.14 3i04 s ILE 322 Cb 0.14 -3.04 0.06 0.00 1.25 0.00 0.00 42.46 40.87 3i04 s ILE 322 CO 0.54 -0.08 1.09 0.21 0.24 0.00 0.00 174.94 176.93 3i04 s ASN 323 N -2.94 4.45 -0.14 4.36 3.84 -1.26 -4.84 114.94 118.42 3i04 s ASN 323 Ca 0.29 1.75 -0.07 0.00 0.21 0.00 0.00 52.86 55.04 3i04 s ASN 323 Cb -0.10 -2.47 0.05 0.00 -0.55 0.00 0.00 41.25 38.19 3i04 s ASN 323 CO 0.20 -2.06 0.32 0.12 -2.79 0.00 0.00 177.10 172.90 3i04 s PHE 324 N -2.93 -0.46 0.00 0.43 5.36 -1.26 -0.27 117.98 118.86 3i04 s PHE 324 Ca 0.61 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 3i04 s PHE 324 Cb -0.17 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 3i04 s PHE 324 CO 0.56 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 174.44 3i04 n GLY 325 N 4.32 0.12 0.33 13.12 0.00 -0.01 -4.45 105.19 118.61 3i04 n GLY 325 Ca -0.23 -1.11 0.15 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.88 1.61 0.13 -1.86 -2.72 132.00 128.28 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 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 3i04 h PRO 326 CO 0.00 0.00 0.52 0.00 -0.23 0.00 0.00 178.00 178.29 3i04 h ALA 327 N 1.84 1.28 -0.00 -0.56 0.00 -1.82 -2.11 119.26 117.88 3i04 h ALA 327 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 327 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i04 h ALA 327 CO -0.00 0.15 -0.09 1.19 0.00 0.00 0.00 179.25 180.50 3i04 n PHE 328 N -4.70 0.00 -0.25 0.00 3.01 -1.02 -3.89 117.46 110.61 3i04 n PHE 328 Ca 0.15 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.55 3i04 n PHE 328 Cb 0.29 -0.18 0.05 0.00 -0.01 0.00 0.00 39.48 39.63 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 0.53 1.02 -0.05 -1.08 4.81 -1.35 -2.80 114.58 115.65 3i04 h GLU 329 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3i04 h GLU 329 Cb 0.34 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3i04 h GLU 329 CO 0.00 0.82 0.00 0.41 -0.73 0.00 0.00 179.01 179.51 3i04 n GLY 330 N -0.91 -0.35 3.69 1.92 0.00 -1.22 -4.84 105.19 103.48 3i04 n GLY 330 Ca 0.05 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3i04 n GLY 330 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i04 s GLU 331 N -1.94 1.39 0.05 1.61 2.12 -1.06 -4.88 118.70 116.00 3i04 s GLU 331 Ca 0.36 1.61 0.06 0.00 0.36 0.00 0.00 54.97 57.37 3i04 s GLU 331 Cb 0.18 -1.76 -0.03 0.00 0.26 0.00 0.00 34.13 32.78 3i04 s GLU 331 CO 0.29 -2.37 -0.18 0.45 -0.54 0.00 0.00 175.26 172.92 3i04 s SER 332 N -2.49 2.16 -0.33 -1.70 0.15 -1.26 -5.01 113.70 105.22 3i04 s SER 332 Ca 0.69 -0.54 -0.00 0.00 0.70 0.00 0.00 55.95 56.80 3i04 s SER 332 Cb -0.25 -0.15 0.08 0.00 -1.71 0.00 0.00 66.02 63.99 3i04 s SER 332 CO 0.54 0.08 0.05 -0.63 1.20 0.00 0.00 173.24 174.48 3i04 s ILE 333 N -0.92 2.80 0.68 6.45 1.01 -1.26 -5.08 121.20 124.88 3i04 s ILE 333 Ca 0.05 -1.80 -0.15 0.00 0.00 0.00 0.00 60.65 58.74 3i04 s ILE 333 Cb -0.09 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.61 3i04 s ILE 333 CO 0.02 -0.35 1.16 -0.13 0.00 0.00 0.00 174.94 175.64 3i04 s ARG 334 N 1.13 2.52 0.30 2.79 0.52 -1.26 -4.81 118.95 120.14 3i04 s ARG 334 Ca 0.01 1.61 0.06 0.00 -0.52 0.00 0.00 55.73 56.89 3i04 s ARG 334 Cb -0.20 -1.90 0.81 0.00 0.52 0.00 0.00 34.95 34.18 3i04 s ARG 334 CO -0.04 -1.51 1.68 0.87 0.02 0.00 0.00 175.30 176.32 3i04 h LYS 335 N -0.01 0.33 0.00 3.54 1.79 -1.99 -0.26 116.57 119.96 3i04 h LYS 335 Ca -0.48 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3i04 h LYS 335 Cb 1.27 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3i04 h LYS 335 CO 0.52 0.22 0.00 0.78 -1.08 0.00 0.00 179.45 179.89 3i04 h GLY 336 N 0.34 0.00 0.24 3.86 0.00 -2.03 -2.80 103.07 102.67 3i04 h GLY 336 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3i04 h GLY 336 CO -0.58 0.00 -1.64 1.22 0.00 0.00 0.00 176.54 175.53 3i04 n ASP 337 N -2.65 0.29 -4.68 0.19 9.92 -0.23 -4.97 116.55 114.42 3i04 n ASP 337 Ca 0.03 -0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 53.83 3i04 n ASP 337 Cb 0.37 1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 42.34 3i04 n ASP 337 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3i04 s MET 338 N -3.42 4.24 0.02 -1.24 -2.45 -0.48 -0.41 119.30 115.56 3i04 s MET 338 Ca -0.04 2.09 -0.11 0.00 -1.25 0.00 0.00 55.69 56.38 3i04 s MET 338 Cb 0.13 -3.64 -0.32 0.00 1.25 0.00 0.00 34.83 32.25 3i04 s MET 338 CO 0.87 -0.66 0.93 -0.92 1.05 0.00 0.00 175.02 176.30 3i04 h TYR 339 N 8.23 0.77 -2.64 4.11 3.20 -0.88 -3.33 116.97 126.41 3i04 h TYR 339 Ca -0.39 -0.56 -0.09 0.00 3.14 0.00 0.00 58.73 60.83 3i04 h TYR 339 Cb 1.18 -0.03 -0.19 0.00 1.54 0.00 0.00 36.73 39.23 3i04 h TYR 339 CO 0.78 1.51 -0.07 0.54 -1.64 0.00 0.00 178.16 179.29 3i04 s VAL 340 N -2.61 0.03 -0.02 1.81 0.11 -1.13 -0.47 120.40 118.13 3i04 s VAL 340 Ca -0.10 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 3i04 s VAL 340 Cb 0.05 -0.82 -0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3i04 s VAL 340 CO 0.90 -0.16 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.71 3i04 s GLU 341 N -1.49 0.94 0.06 1.54 2.12 -0.91 -1.48 118.70 119.48 3i04 s GLU 341 Ca -0.11 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 54.90 3i04 s GLU 341 Cb -0.03 -0.90 -0.03 0.00 0.26 0.00 0.00 34.13 33.44 3i04 s GLU 341 CO 0.05 0.20 -0.14 -1.64 -0.54 0.00 0.00 175.26 173.19 3i04 s MET 342 N -0.11 0.87 2.59 4.30 -1.94 -0.16 -1.51 119.30 123.34 3i04 s MET 342 Ca 0.02 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 3i04 s MET 342 Cb -0.06 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.89 3i04 s MET 342 CO -0.00 0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.63 3i04 n GLY 343 N 1.53 -0.84 2.39 -0.03 0.00 -1.17 -0.21 105.19 106.86 3i04 n GLY 343 Ca -0.20 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 1.68 2.92 -0.02 0.00 0.05 -0.79 105.19 109.02 3i04 n GLY 344 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.03 -2.15 -0.05 1.61 5.03 -1.26 -4.84 115.26 112.57 3i04 n ASN 345 Ca -0.18 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.13 3i04 n ASN 345 Cb 0.59 -1.42 -0.07 0.00 -1.02 0.00 0.00 39.78 37.86 3i04 n ASN 345 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 3i04 h ARG 346 N 1.15 0.53 -4.00 3.52 -0.00 -1.33 -3.47 114.38 110.78 3i04 h ARG 346 Ca 0.00 -0.37 -0.11 0.00 -0.50 0.00 0.00 59.98 59.01 3i04 h ARG 346 Cb 0.21 0.06 -0.14 0.00 0.00 0.00 0.00 29.97 30.10 3i04 h ARG 346 CO 0.00 0.99 -0.48 0.95 0.00 0.00 0.00 179.97 181.42 3i04 s THR 347 N -3.92 0.15 0.33 2.04 -4.23 -1.11 -4.93 115.64 103.98 3i04 s THR 347 Ca -0.13 -1.45 -0.28 0.00 -1.18 0.00 0.00 61.69 58.64 3i04 s THR 347 Cb 0.06 -1.51 -0.10 0.00 1.34 0.00 0.00 72.50 72.30 3i04 s THR 347 CO 0.81 -0.70 1.26 -2.84 -0.54 0.00 0.00 174.62 172.61 3i04 s PRO 348 N -3.91 4.36 -0.10 3.99 0.02 -1.26 -3.02 135.00 135.09 3i04 s PRO 348 Ca 0.08 2.12 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 3i04 s PRO 348 Cb 0.06 -3.05 0.06 0.00 0.02 0.00 0.00 34.50 31.58 3i04 s PRO 348 CO -0.08 -0.14 0.57 0.00 -0.33 0.00 0.00 177.00 177.01 3i04 s ALA 349 N -1.17 -1.44 0.13 -1.55 0.00 -1.26 -1.90 121.76 114.57 3i04 s ALA 349 Ca 0.49 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 3i04 s ALA 349 Cb -0.38 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.45 3i04 s ALA 349 CO 0.50 -0.32 0.30 -0.59 0.00 0.00 0.00 175.76 175.65 3i04 s PHE 350 N -0.73 0.10 0.06 0.00 -0.12 0.62 -4.30 117.98 113.61 3i04 s PHE 350 Ca -0.08 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.35 3i04 s PHE 350 Cb -0.03 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 3i04 s PHE 350 CO 0.06 -0.67 -0.10 -1.83 -0.05 0.00 0.00 175.22 172.63 3i04 s GLU 351 N -3.88 0.66 -0.30 1.99 -1.05 -0.80 -0.56 118.70 114.78 3i04 s GLU 351 Ca 0.08 -0.90 -0.12 0.00 -0.15 0.00 0.00 54.97 53.89 3i04 s GLU 351 Cb 0.03 -0.46 0.14 0.00 -0.44 0.00 0.00 34.13 33.40 3i04 s GLU 351 CO -0.08 0.09 0.74 -1.17 0.95 0.00 0.00 175.26 175.79 3i04 s LEU 352 N -1.82 -0.99 -0.14 1.83 2.96 0.10 -4.54 118.68 116.08 3i04 s LEU 352 Ca -0.05 1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 55.10 3i04 s LEU 352 Cb -0.08 2.14 -0.05 0.00 0.50 0.00 0.00 46.19 48.70 3i04 s LEU 352 CO 0.01 -0.19 0.27 -0.69 -1.32 0.00 0.00 176.35 174.42 3i04 s VAL 353 N 2.72 5.31 0.00 1.68 1.01 -1.26 -0.26 120.40 129.61 3i04 s VAL 353 Ca -0.05 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.43 3i04 s VAL 353 Cb -0.10 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3i04 s VAL 353 CO -0.19 0.45 -0.05 0.00 0.00 0.00 0.00 175.10 175.31 3i04 s ARG 354 N 0.09 0.41 0.13 2.72 1.70 -0.27 -4.85 118.95 118.88 3i04 s ARG 354 Ca 0.16 -0.25 -0.30 0.00 -0.47 0.00 0.00 55.73 54.87 3i04 s ARG 354 Cb -0.13 -0.37 -0.06 0.00 -0.57 0.00 0.00 34.95 33.82 3i04 s ARG 354 CO 0.04 0.10 1.07 0.99 -1.08 0.00 0.00 175.30 176.42 3i04 s THR 355 N -0.29 4.15 0.18 4.99 2.01 -1.26 -1.33 115.64 124.10 3i04 s THR 355 Ca 0.00 1.75 0.06 0.00 0.31 0.00 0.00 61.69 63.81 3i04 s THR 355 Cb -0.03 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 3i04 s THR 355 CO -0.00 0.25 -0.11 0.68 -0.69 0.00 0.00 174.62 174.75 3i04 s VAL 356 N 0.14 1.42 0.57 3.82 -7.23 -0.53 -4.89 120.40 113.71 3i04 s VAL 356 Ca 0.50 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 3i04 s VAL 356 Cb -0.27 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 3i04 s VAL 356 CO 0.32 -0.64 1.02 -0.94 -0.31 0.00 0.00 175.10 174.55 3i04 s SER 357 N -3.25 6.15 0.42 4.85 1.04 -1.26 -4.48 113.70 117.17 3i04 s SER 357 Ca 0.20 1.64 0.20 0.00 0.48 0.00 0.00 55.95 58.47 3i04 s SER 357 Cb 0.01 -2.51 1.14 0.00 0.10 0.00 0.00 66.02 64.76 3i04 s SER 357 CO 0.04 -0.92 1.81 -0.08 0.98 0.00 0.00 173.24 175.07 3i04 h GLU 358 N 0.42 0.35 0.00 4.02 4.81 -1.96 -0.34 114.58 121.88 3i04 h GLU 358 Ca -0.46 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 3i04 h GLU 358 Cb 1.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3i04 h GLU 358 CO 0.60 0.23 -0.40 0.66 -0.73 0.00 0.00 179.01 179.37 3i04 h SER 359 N 0.36 0.00 -0.30 1.04 4.64 -2.05 -3.19 113.55 114.05 3i04 h SER 359 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3i04 h SER 359 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3i04 h SER 359 CO -0.22 0.40 0.00 -0.62 -0.87 0.00 0.00 176.83 175.52 3i04 n GLU 360 N -3.78 1.93 -4.72 4.77 1.02 -0.14 -4.92 120.64 114.81 3i04 n GLU 360 Ca -0.01 -1.42 -0.24 0.00 -0.02 0.00 0.00 57.16 55.47 3i04 n GLU 360 Cb 0.47 -1.38 -0.15 0.00 -0.02 0.00 0.00 31.44 30.35 3i04 n GLU 360 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3i04 s ILE 361 N -1.61 1.23 -0.29 -3.67 2.07 -1.21 -4.89 121.20 112.84 3i04 s ILE 361 Ca 0.32 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.92 3i04 s ILE 361 Cb 0.17 -1.04 0.06 0.00 0.13 0.00 0.00 42.46 41.78 3i04 s ILE 361 CO 0.24 0.35 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.70 3i04 s THR 362 N -0.16 2.69 0.31 4.00 2.01 -1.26 -5.01 115.64 118.22 3i04 s THR 362 Ca 0.02 -1.50 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 3i04 s THR 362 Cb -0.08 -2.57 -0.11 0.00 0.01 0.00 0.00 72.50 69.75 3i04 s THR 362 CO 0.00 -0.10 1.54 -0.62 -0.69 0.00 0.00 174.62 174.76 3i04 s ASP 363 N 1.20 6.41 0.00 3.53 2.15 -1.26 -2.23 116.67 126.47 3i04 s ASP 363 Ca -0.06 2.94 0.00 0.00 0.43 0.00 0.00 52.55 55.86 3i04 s ASP 363 Cb -0.20 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 3i04 s ASP 363 CO -0.03 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.71 3i04 n GLY 364 N 1.72 1.69 3.68 2.66 0.00 0.81 -4.94 105.19 110.80 3i04 n GLY 364 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3i04 n GLY 364 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i04 s LYS 365 N -0.02 4.27 -0.08 1.61 2.20 -0.95 -4.94 119.74 121.84 3i04 s LYS 365 Ca 0.00 1.85 0.05 0.00 -0.36 0.00 0.00 55.97 57.51 3i04 s LYS 365 Cb 0.00 -3.67 -0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3i04 s LYS 365 CO 0.00 -0.62 -0.24 0.42 -0.36 0.00 0.00 175.35 174.55 3i04 s ILE 366 N 2.86 2.00 -0.06 5.43 1.01 -1.26 -0.86 121.20 130.34 3i04 s ILE 366 Ca 0.61 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3i04 s ILE 366 Cb -0.28 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.50 3i04 s ILE 366 CO 0.23 0.55 -0.00 -0.70 0.00 0.00 0.00 174.94 175.02 3i04 s GLU 367 N 0.13 0.54 -0.30 2.79 2.12 -0.29 -5.00 118.70 118.69 3i04 s GLU 367 Ca -0.12 0.08 -0.11 0.00 0.36 0.00 0.00 54.97 55.18 3i04 s GLU 367 Cb -0.16 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.38 3i04 s GLU 367 CO 0.06 -0.23 0.19 0.08 -0.54 0.00 0.00 175.26 174.82 3i04 s VAL 368 N 1.59 5.13 -0.63 3.70 1.01 -1.26 -0.74 120.40 129.20 3i04 s VAL 368 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3i04 s VAL 368 Cb -0.13 -3.51 0.16 0.00 0.00 0.00 0.00 36.38 32.90 3i04 s VAL 368 CO -0.03 0.16 0.46 -0.63 0.00 0.00 0.00 175.10 175.06 3i04 s ILE 369 N 1.72 3.85 -4.57 2.22 1.01 -0.20 -4.98 121.20 120.24 3i04 s ILE 369 Ca 0.06 -2.88 0.00 0.00 0.00 0.00 0.00 60.65 57.84 3i04 s ILE 369 Cb -0.16 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3i04 s ILE 369 CO 0.10 -0.88 0.00 0.61 0.00 0.00 0.00 174.94 174.76 3i04 n GLY 370 N 3.58 0.93 3.70 6.18 0.00 -1.26 -1.81 105.19 116.51 3i04 n GLY 370 Ca 0.08 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3i04 n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i04 s PRO 371 N -1.83 4.21 0.05 1.61 0.04 -1.26 -4.91 135.00 132.92 3i04 s PRO 371 Ca 0.00 2.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 3i04 s PRO 371 Cb 0.00 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 31.10 3i04 s PRO 371 CO 0.00 -0.68 0.07 -3.47 0.04 0.00 0.00 177.00 172.96 3i04 n ASP 372 N 5.05 -0.18 0.04 6.66 -0.08 -1.26 -4.82 116.55 121.95 3i04 n ASP 372 Ca 0.15 -0.94 -0.15 0.00 -1.51 0.00 0.00 54.79 52.34 3i04 n ASP 372 Cb 0.40 -0.05 -0.04 0.00 2.34 0.00 0.00 41.12 43.77 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 -1.13 1.34 -0.39 5.18 2.10 -1.95 -3.03 117.51 119.63 3i04 h ILE 373 Ca -0.02 -2.22 -0.24 0.00 1.08 0.00 0.00 64.86 63.45 3i04 h ILE 373 Cb 0.06 2.23 -0.12 0.00 -1.09 0.00 0.00 36.82 37.91 3i04 h ILE 373 CO 0.02 0.68 0.31 -0.90 -1.08 0.00 0.00 178.15 177.17 3i04 n ASP 374 N -3.83 5.10 0.00 2.19 5.68 -1.26 -3.36 116.55 121.07 3i04 n ASP 374 Ca -0.07 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.40 3i04 n ASP 374 Cb 0.79 -0.90 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3i04 n ASP 374 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i04 n GLN 375 N 0.29 0.00 -4.43 0.11 6.02 -1.14 -5.08 117.38 113.15 3i04 n GLN 375 Ca 0.24 -0.23 -0.25 0.00 -0.01 0.00 0.00 57.00 56.75 3i04 n GLN 375 Cb 0.72 -0.40 -0.11 0.00 1.02 0.00 0.00 30.24 31.46 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 0.00 2.31 0.67 5.09 -4.36 -1.21 -4.90 121.20 118.80 3i04 s ILE 376 Ca 0.00 -2.16 -0.14 0.00 -0.26 0.00 0.00 60.65 58.10 3i04 s ILE 376 Cb 0.00 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.56 3i04 s ILE 376 CO 0.00 -0.25 1.08 -2.16 0.24 0.00 0.00 174.94 173.84 3i04 s PRO 377 N -3.01 2.89 0.30 0.37 0.04 -1.26 -5.00 135.00 129.33 3i04 s PRO 377 Ca 0.23 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3i04 s PRO 377 Cb -0.06 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 3i04 s PRO 377 CO 0.11 -1.15 1.60 -2.00 0.04 0.00 0.00 177.00 175.59 3i04 s GLU 378 N -4.43 4.11 -0.22 4.56 2.12 -1.26 -3.20 118.70 120.39 3i04 s GLU 378 Ca 0.63 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.55 3i04 s GLU 378 Cb -0.17 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3i04 s GLU 378 CO 0.45 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 3i04 n GLY 379 N 2.07 0.51 3.98 -1.50 0.00 0.37 -5.04 105.19 105.59 3i04 n GLY 379 Ca 0.08 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 3i04 n GLY 379 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i04 s SER 380 N -2.97 5.04 0.09 1.61 1.04 -1.18 -4.90 113.70 112.43 3i04 s SER 380 Ca 0.00 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.30 3i04 s SER 380 Cb 0.00 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 3i04 s SER 380 CO 0.00 -1.33 -0.04 -0.54 0.98 0.00 0.00 173.24 172.31 3i04 s LYS 381 N -4.83 2.37 -0.00 4.02 1.02 -1.26 -2.15 119.74 118.91 3i04 s LYS 381 Ca 0.60 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.68 3i04 s LYS 381 Cb -0.09 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3i04 s LYS 381 CO 0.40 0.53 -0.01 -1.17 -0.92 0.00 0.00 175.35 174.17 3i04 s LEU 382 N -2.25 2.01 0.67 3.17 2.96 -0.57 -4.96 118.68 119.71 3i04 s LEU 382 Ca 0.24 -0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.99 3i04 s LEU 382 Cb -0.11 -0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.53 3i04 s LEU 382 CO 0.16 0.00 1.08 -2.16 -1.32 0.00 0.00 176.35 174.11 3i04 s PRO 383 N -0.06 2.87 -0.13 0.98 0.04 -1.26 -4.23 135.00 133.21 3i04 s PRO 383 Ca -0.00 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.15 3i04 s PRO 383 Cb -0.01 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.61 3i04 s PRO 383 CO -0.00 -1.17 0.32 -1.17 0.04 0.00 0.00 177.00 175.02 3i04 s LEU 384 N -5.15 0.30 -0.12 -3.56 2.96 -0.80 -4.24 118.68 108.07 3i04 s LEU 384 Ca 0.63 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 3i04 s LEU 384 Cb -0.17 1.02 0.02 0.00 0.50 0.00 0.00 46.19 47.56 3i04 s LEU 384 CO 0.46 -0.17 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.40 3i04 s GLY 385 N 1.11 0.90 -0.29 7.98 0.00 -0.14 -0.28 107.32 116.61 3i04 s GLY 385 Ca -0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 3i04 s GLY 385 CO -0.08 0.67 0.08 -0.42 0.00 0.00 0.00 173.10 173.35 3i04 s ILE 386 N 1.55 4.06 -0.21 0.90 1.01 0.28 -0.32 121.20 128.47 3i04 s ILE 386 Ca 0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3i04 s ILE 386 Cb -0.13 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.29 3i04 s ILE 386 CO -0.08 0.12 -0.12 -0.22 0.00 0.00 0.00 174.94 174.64 3i04 s LEU 387 N 1.53 2.59 -0.25 2.97 2.96 -0.27 0.02 118.68 128.23 3i04 s LEU 387 Ca 0.03 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 3i04 s LEU 387 Cb -0.17 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3i04 s LEU 387 CO 0.03 -0.03 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.28 3i04 s VAL 388 N 1.36 2.94 -0.21 1.68 1.01 0.64 -1.18 120.40 126.64 3i04 s VAL 388 Ca 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3i04 s VAL 388 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3i04 s VAL 388 CO -0.08 0.22 0.10 -1.81 0.00 0.00 0.00 175.10 173.53 3i04 s ASP 389 N 1.34 5.81 -0.06 3.32 -0.00 0.18 -1.11 116.67 126.15 3i04 s ASP 389 Ca 0.01 0.08 0.05 0.00 -0.00 0.00 0.00 52.55 52.69 3i04 s ASP 389 Cb -0.16 -2.02 -0.00 0.00 -0.00 0.00 0.00 42.92 40.73 3i04 s ASP 389 CO -0.04 0.12 -0.21 -0.63 -0.00 0.00 0.00 175.17 174.41 3i04 s ILE 390 N 0.71 1.76 -0.07 0.77 -1.09 -0.44 -1.02 121.20 121.83 3i04 s ILE 390 Ca 0.05 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 3i04 s ILE 390 Cb -0.13 -1.50 0.01 0.00 -1.58 0.00 0.00 42.46 39.26 3i04 s ILE 390 CO 0.02 0.49 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.62 3i04 s TYR 391 N 0.03 1.54 0.04 3.97 5.04 -0.70 -1.45 117.35 125.80 3i04 s TYR 391 Ca -0.06 -0.56 -0.27 0.00 -2.44 0.00 0.00 57.07 53.73 3i04 s TYR 391 Cb -0.14 -1.11 0.07 0.00 0.35 0.00 0.00 41.96 41.14 3i04 s TYR 391 CO 0.04 -0.27 0.67 0.20 -1.34 0.00 0.00 175.55 174.85 3i04 s GLY 392 N 0.59 -0.58 0.43 8.97 0.00 -1.24 -0.93 107.32 114.56 3i04 s GLY 392 Ca -0.14 0.99 0.19 0.00 0.00 0.00 0.00 44.72 45.76 3i04 s GLY 392 CO 0.04 0.59 1.84 3.21 0.00 0.00 0.00 173.10 178.78 3i04 h ARG 393 N 2.50 0.35 -0.36 2.90 3.08 -1.74 -2.31 114.38 118.81 3i04 h ARG 393 Ca -0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3i04 h ARG 393 Cb 1.22 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3i04 h ARG 393 CO 0.38 0.23 0.00 1.63 -1.07 0.00 0.00 179.97 181.14 3i04 n LYS 394 N -4.50 2.32 -2.36 0.04 5.02 0.00 -5.01 118.16 113.67 3i04 n LYS 394 Ca 0.20 -2.10 -0.37 0.00 -2.02 0.00 0.00 58.31 54.03 3i04 n LYS 394 Cb 0.76 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 3i04 n LYS 394 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3i04 s MET 395 N -1.20 3.88 0.05 1.97 1.75 -0.87 -4.77 119.30 120.11 3i04 s MET 395 Ca 0.32 1.67 -0.19 0.00 -1.25 0.00 0.00 55.69 56.23 3i04 s MET 395 Cb 0.18 -2.42 0.04 0.00 2.84 0.00 0.00 34.83 35.47 3i04 s MET 395 CO 0.25 -0.43 0.45 1.14 -0.65 0.00 0.00 175.02 175.78 3i04 s GLN 396 N -2.68 0.96 0.35 4.11 -2.07 -1.26 -4.95 119.66 114.13 3i04 s GLN 396 Ca 0.62 -0.34 0.16 0.00 -1.82 0.00 0.00 55.36 53.99 3i04 s GLN 396 Cb -0.26 0.43 1.14 0.00 -1.09 0.00 0.00 33.01 33.24 3i04 s GLN 396 CO 0.32 -0.34 1.65 0.00 -1.32 0.00 0.00 175.29 175.60 3i04 h ALA 397 N 2.91 2.02 0.00 2.60 0.00 -1.99 0.23 119.26 125.03 3i04 h ALA 397 Ca -0.31 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 397 Cb 1.21 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3i04 h ALA 397 CO 0.43 -0.66 -0.10 -0.44 0.00 0.00 0.00 179.25 178.48 3i04 h ASP 398 N 0.27 0.00 0.30 0.00 3.45 -2.01 -2.71 116.42 115.72 3i04 h ASP 398 Ca 0.76 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.22 3i04 h ASP 398 Cb 1.79 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.56 3i04 h ASP 398 CO -0.62 0.10 -0.17 0.49 -1.57 0.00 0.00 179.24 177.47 3i04 n PHE 399 N -3.44 0.00 -0.04 4.55 0.99 0.07 -4.20 117.46 115.39 3i04 n PHE 399 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.33 3i04 n PHE 399 Cb 0.26 -0.15 -0.05 0.00 -1.00 0.00 0.00 39.48 38.54 3i04 n PHE 399 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3i04 h GLU 400 N 0.89 0.25 -0.75 -1.08 5.08 -1.50 -1.39 114.58 116.07 3i04 h GLU 400 Ca 0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3i04 h GLU 400 Cb 0.43 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3i04 h GLU 400 CO 0.00 0.34 0.30 0.78 -1.00 0.00 0.00 179.01 179.43 3i04 h GLY 401 N 0.11 1.21 0.13 -3.84 0.00 -1.78 0.60 103.07 99.49 3i04 h GLY 401 Ca 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 47.33 46.79 3i04 h GLY 401 CO -0.00 0.62 -0.21 -2.08 0.00 0.00 0.00 176.54 174.87 3i04 h VAL 402 N 1.09 0.43 -0.13 4.60 2.07 -1.72 -0.93 116.25 121.66 3i04 h VAL 402 Ca 0.25 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.70 3i04 h VAL 402 Cb 0.22 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3i04 h VAL 402 CO -0.02 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.31 3i04 h LEU 403 N -0.18 0.40 -0.94 2.57 4.07 -1.03 -3.29 115.31 116.92 3i04 h LEU 403 Ca 0.16 -0.52 0.08 0.00 0.08 0.00 0.00 57.88 57.68 3i04 h LEU 403 Cb 0.43 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 41.98 3i04 h LEU 403 CO -0.41 0.85 0.59 -0.08 -1.08 0.00 0.00 178.44 178.30 3i04 h GLU 404 N -0.03 0.99 -0.94 1.13 4.81 -0.80 -1.01 114.58 118.73 3i04 h GLU 404 Ca 0.01 -0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.42 3i04 h GLU 404 Cb 0.76 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 3i04 h GLU 404 CO 0.05 0.66 0.63 -0.09 -0.73 0.00 0.00 179.01 179.52 3i04 h ARG 405 N 1.02 0.31 0.00 1.92 2.43 -1.23 -2.41 114.38 116.42 3i04 h ARG 405 Ca 0.43 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 3i04 h ARG 405 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3i04 h ARG 405 CO -0.20 0.21 0.00 0.54 -1.51 0.00 0.00 179.97 179.00 3i04 n ARG 406 N -4.48 0.21 -0.36 0.20 5.12 -0.38 -3.57 116.66 113.39 3i04 n ARG 406 Ca 0.21 0.20 0.03 0.00 -1.93 0.00 0.00 57.85 56.36 3i04 n ARG 406 Cb 0.80 -1.76 0.18 0.00 -1.16 0.00 0.00 32.46 30.52 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 0.00 1.06 -0.21 0.55 2.04 -1.45 -0.82 117.51 118.69 3i04 h ILE 407 Ca 0.00 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3i04 h ILE 407 Cb 0.65 -0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 3i04 h ILE 407 CO 0.00 0.21 -0.50 -0.74 0.00 0.00 0.00 178.15 177.12 3i04 h HIS 408 N 1.13 -1.47 -0.29 1.37 2.76 -1.76 -1.55 115.15 115.35 3i04 h HIS 408 Ca 0.43 0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.60 3i04 h HIS 408 Cb 0.21 0.67 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 3i04 h HIS 408 CO -0.01 -0.51 -0.07 -0.44 -1.30 0.00 0.00 177.93 175.60 3i04 h ASP 409 N -0.50 0.57 -0.84 3.26 3.32 -1.70 -2.12 116.42 118.41 3i04 h ASP 409 Ca 0.07 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.78 3i04 h ASP 409 Cb 0.65 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 3i04 h ASP 409 CO -0.47 0.81 0.55 -0.26 -1.72 0.00 0.00 179.24 178.15 3i04 h PHE 410 N 0.33 1.02 0.03 4.55 0.04 -1.07 -2.24 116.94 119.60 3i04 h PHE 410 Ca 0.07 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 3i04 h PHE 410 Cb 0.56 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.37 3i04 h PHE 410 CO 0.05 0.61 -0.24 0.82 -0.60 0.00 0.00 178.31 178.95 3i04 h ILE 411 N 1.07 1.65 -1.04 -0.55 2.04 -1.21 -3.32 117.51 116.15 3i04 h ILE 411 Ca 0.32 -2.21 0.27 0.00 1.00 0.00 0.00 64.86 64.24 3i04 h ILE 411 Cb -0.02 3.11 -0.09 0.00 -0.74 0.00 0.00 36.82 39.08 3i04 h ILE 411 CO -0.09 0.59 0.67 0.78 0.00 0.00 0.00 178.15 180.11 3i04 h ASN 412 N -0.69 0.41 -0.04 1.72 2.35 -1.29 -0.52 115.58 117.53 3i04 h ASN 412 Ca -0.04 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3i04 h ASN 412 Cb 1.11 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 3i04 h ASN 412 CO 0.05 0.09 0.14 1.88 -1.65 0.00 0.00 177.43 177.93 3i04 h TYR 413 N 0.37 0.00 -3.05 1.19 0.99 -1.50 -3.18 116.97 111.79 3i04 h TYR 413 Ca 0.58 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.79 3i04 h TYR 413 Cb 1.53 0.00 0.04 0.00 1.00 0.00 0.00 36.73 39.29 3i04 h TYR 413 CO -0.00 0.00 0.77 0.20 -0.00 0.00 0.00 178.16 179.13 3i04 s GLY 414 N -4.01 1.95 -0.39 3.88 0.00 -0.20 -0.83 107.32 107.71 3i04 s GLY 414 Ca -0.04 1.23 -0.28 0.00 0.00 0.00 0.00 44.72 45.63 3i04 s GLY 414 CO 0.41 2.40 1.84 1.85 0.00 0.00 0.00 173.10 179.60 3i04 s GLU 415 N 0.74 3.15 0.00 2.90 2.12 0.63 -2.27 118.70 125.97 3i04 s GLU 415 Ca 0.65 1.27 0.00 0.00 0.36 0.00 0.00 54.97 57.25 3i04 s GLU 415 Cb -0.40 -4.25 0.00 0.00 0.26 0.00 0.00 34.13 29.74 3i04 s GLU 415 CO 0.34 -2.08 0.00 0.41 -0.54 0.00 0.00 175.26 173.38 3i04 n GLY 416 N 5.50 0.79 3.51 -1.50 0.00 -1.26 -4.70 105.19 107.53 3i04 n GLY 416 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 3.04 0.03 0.99 1.43 -0.96 -0.90 118.68 122.31 3i04 s LEU 417 Ca 0.00 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3i04 s LEU 417 Cb 0.00 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3i04 s LEU 417 CO 0.00 0.28 -0.07 0.86 0.23 0.00 0.00 176.35 177.65 3i04 s TRP 418 N -0.30 0.57 -0.20 0.29 -0.00 -0.45 -4.39 118.94 114.46 3i04 s TRP 418 Ca 0.04 -0.41 -0.16 0.00 -0.00 0.00 0.00 56.10 55.56 3i04 s TRP 418 Cb -0.13 -0.35 0.06 0.00 -0.00 0.00 0.00 33.47 33.05 3i04 s TRP 418 CO 0.02 -0.08 0.52 -1.58 -0.00 0.00 0.00 176.95 175.84 3i04 s HIS 419 N -1.12 -0.64 0.17 5.86 5.65 -1.26 -1.41 115.29 122.54 3i04 s HIS 419 Ca -0.08 1.47 -0.06 0.00 0.25 0.00 0.00 55.06 56.63 3i04 s HIS 419 Cb -0.08 0.26 -0.02 0.00 -1.18 0.00 0.00 32.58 31.56 3i04 s HIS 419 CO 0.00 -0.32 0.22 -0.08 -0.65 0.00 0.00 174.74 173.92 3i04 s THR 420 N 0.66 0.06 0.00 0.89 -1.32 -0.14 -4.92 115.64 110.87 3i04 s THR 420 Ca -0.03 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 3i04 s THR 420 Cb -0.05 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.95 3i04 s THR 420 CO -0.04 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 3i04 n GLY 421 N -0.20 -1.30 3.57 6.08 0.00 -1.26 -1.61 105.19 110.47 3i04 n GLY 421 Ca -0.05 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 0.78 5.31 1.61 -2.07 -1.19 -4.89 119.66 119.20 3i04 s GLN 422 Ca 0.00 -0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 3i04 s GLN 422 Cb 0.00 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 3i04 s GLN 422 CO 0.00 -0.35 0.00 0.54 -1.32 0.00 0.00 175.29 174.16 3i04 n ARG 423 N -0.28 0.00 -0.40 9.60 1.74 -1.26 -0.55 116.66 125.51 3i04 n ARG 423 Ca -0.07 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.09 3i04 n ARG 423 Cb 0.61 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.29 3i04 n ARG 423 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i04 n ASN 424 N 6.30 3.77 -1.92 0.55 2.04 -1.26 -1.90 115.26 122.85 3i04 n ASN 424 Ca 0.00 -2.64 -0.23 0.00 -0.44 0.00 0.00 54.58 51.28 3i04 n ASN 424 Cb 0.00 -0.46 0.10 0.00 -2.53 0.00 0.00 39.78 36.89 3i04 n ASN 424 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3i04 n ILE 425 N 0.03 2.94 -1.96 1.53 -0.00 0.29 -4.74 119.36 117.45 3i04 n ILE 425 Ca 0.19 -3.28 -0.37 0.00 -0.00 0.00 0.00 62.75 59.29 3i04 n ILE 425 Cb 0.76 -0.89 0.04 0.00 -0.00 0.00 0.00 39.64 39.55 3i04 n ILE 425 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 3i04 s ASN 426 N -2.61 5.21 -0.23 4.38 3.04 -1.09 -3.20 114.94 120.45 3i04 s ASN 426 Ca 0.54 2.49 -0.10 0.00 0.04 0.00 0.00 52.86 55.83 3i04 s ASN 426 Cb 0.45 -2.61 0.09 0.00 -1.54 0.00 0.00 41.25 37.64 3i04 s ASN 426 CO 0.02 -1.59 0.52 0.86 -3.04 0.00 0.00 177.10 173.87 3i04 s TRP 427 N -1.50 -0.93 0.03 0.43 -0.00 -0.63 -0.77 118.94 115.57 3i04 s TRP 427 Ca 0.76 1.77 0.01 0.00 -0.00 0.00 0.00 56.10 58.64 3i04 s TRP 427 Cb -0.33 0.48 -0.02 0.00 -0.00 0.00 0.00 33.47 33.59 3i04 s TRP 427 CO 0.37 -0.50 -0.06 -0.51 -0.00 0.00 0.00 176.95 176.25 3i04 s LEU 428 N 2.16 2.24 0.01 5.86 1.02 0.70 -0.97 118.68 129.70 3i04 s LEU 428 Ca -0.06 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.57 3i04 s LEU 428 Cb -0.10 -0.06 -0.01 0.00 0.02 0.00 0.00 46.19 46.05 3i04 s LEU 428 CO -0.16 -0.23 -0.02 -0.13 0.02 0.00 0.00 176.35 175.83 3i04 s ARG 429 N -1.49 0.14 -0.04 1.70 0.52 -0.50 -0.99 118.95 118.29 3i04 s ARG 429 Ca -0.12 -0.19 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 3i04 s ARG 429 Cb -0.10 -0.04 -0.02 0.00 0.52 0.00 0.00 34.95 35.32 3i04 s ARG 429 CO -0.00 0.00 -0.25 0.08 0.02 0.00 0.00 175.30 175.16 3i04 s VAL 430 N -0.39 2.13 0.28 3.52 1.01 -0.55 -1.33 120.40 125.06 3i04 s VAL 430 Ca -0.04 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 3i04 s VAL 430 Cb -0.03 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 3i04 s VAL 430 CO -0.00 0.58 0.66 -0.94 0.00 0.00 0.00 175.10 175.39 3i04 s SER 431 N -0.46 6.73 0.29 3.32 1.04 -0.08 -0.28 113.70 124.27 3i04 s SER 431 Ca 0.05 1.14 0.05 0.00 0.48 0.00 0.00 55.95 57.67 3i04 s SER 431 Cb -0.11 -2.32 0.74 0.00 0.10 0.00 0.00 66.02 64.43 3i04 s SER 431 CO 0.01 -0.14 1.72 0.11 0.98 0.00 0.00 173.24 175.92 3i04 h LYS 432 N 2.44 0.50 -0.27 4.02 1.57 -1.01 -1.82 116.57 122.00 3i04 h LYS 432 Ca -0.47 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.14 3i04 h LYS 432 Cb 1.17 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3i04 h LYS 432 CO 0.67 0.33 -0.40 0.22 -0.57 0.00 0.00 179.45 179.70 3i04 h ASP 433 N 0.51 0.69 -0.50 0.86 -0.00 -1.95 0.37 116.42 116.41 3i04 h ASP 433 Ca 0.57 -0.31 0.01 0.00 -0.00 0.00 0.00 57.03 57.30 3i04 h ASP 433 Cb 1.03 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.33 40.14 3i04 h ASP 433 CO -0.48 1.01 0.33 0.00 -0.00 0.00 0.00 179.24 180.10 3i04 h ALA 434 N 1.02 0.63 -0.31 -0.78 0.00 -1.64 0.19 119.26 118.37 3i04 h ALA 434 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 434 Cb 0.92 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3i04 h ALA 434 CO 0.08 0.07 0.18 0.28 0.00 0.00 0.00 179.25 179.86 3i04 h VAL 435 N 0.67 1.02 -0.09 0.00 2.07 -1.08 -2.22 116.25 116.62 3i04 h VAL 435 Ca 0.18 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3i04 h VAL 435 Cb -0.07 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3i04 h VAL 435 CO -0.04 0.07 0.07 0.00 0.02 0.00 0.00 177.57 177.68 3i04 h ALA 436 N 1.14 2.03 0.00 1.67 0.00 -0.39 -0.13 119.26 123.59 3i04 h ALA 436 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 436 Cb 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i04 h ALA 436 CO -0.06 -0.12 -0.00 0.87 0.00 0.00 0.00 179.25 179.94 3i04 h LYS 437 N 0.00 0.00 0.00 0.00 1.57 -0.49 -3.47 116.57 114.17 3i04 h LYS 437 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3i04 h LYS 437 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3i04 h LYS 437 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3i04 n GLY 438 N 0.97 0.43 3.71 3.86 0.00 -0.06 -4.81 105.19 109.28 3i04 n GLY 438 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.36 2.85 0.24 1.61 5.36 -0.88 -4.90 117.98 120.90 3i04 s PHE 439 Ca 0.00 0.54 0.04 0.00 -0.96 0.00 0.00 56.93 56.55 3i04 s PHE 439 Cb 0.00 -3.92 -0.05 0.00 -0.34 0.00 0.00 43.02 38.70 3i04 s PHE 439 CO 0.00 -3.51 -0.02 1.03 -1.46 0.00 0.00 175.22 171.26 3i04 s ARG 440 N 1.67 1.39 0.53 10.12 3.00 -1.26 -4.60 118.95 129.80 3i04 s ARG 440 Ca 0.71 -1.70 0.27 0.00 0.00 0.00 0.00 55.73 55.00 3i04 s ARG 440 Cb -0.42 -0.76 1.47 0.00 0.00 0.00 0.00 34.95 35.25 3i04 s ARG 440 CO 0.31 -0.06 2.09 0.74 0.00 0.00 0.00 175.30 178.39 3i04 h PHE 441 N 2.42 0.00 -0.84 -0.53 0.05 -1.96 -0.76 116.94 115.31 3i04 h PHE 441 Ca -0.39 0.00 0.16 0.00 3.82 0.00 0.00 57.97 61.56 3i04 h PHE 441 Cb 1.22 0.00 -0.10 0.00 2.00 0.00 0.00 35.95 39.08 3i04 h PHE 441 CO 0.61 0.11 0.41 -0.22 -0.18 0.00 0.00 178.31 179.03 3i04 h LYS 442 N 0.00 0.54 -0.77 1.51 3.64 -1.97 -2.68 116.57 116.84 3i04 h LYS 442 Ca -0.00 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3i04 h LYS 442 Cb 0.28 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3i04 h LYS 442 CO 0.01 0.36 0.51 -0.91 -2.27 0.00 0.00 179.45 177.15 3i04 h ASN 443 N 0.56 0.78 -0.58 4.20 -0.26 -1.55 0.14 115.58 118.87 3i04 h ASN 443 Ca 0.47 -0.00 0.12 0.00 -0.56 0.00 0.00 56.30 56.33 3i04 h ASN 443 Cb 0.72 -0.17 -0.11 0.00 -1.06 0.00 0.00 38.32 37.70 3i04 h ASN 443 CO -0.40 0.52 -0.10 1.88 -1.06 0.00 0.00 177.43 178.27 3i04 h TYR 444 N 0.89 -0.22 -0.71 1.19 0.05 -1.60 -1.27 116.97 115.30 3i04 h TYR 444 Ca 0.32 0.05 -0.03 0.00 0.05 0.00 0.00 58.73 59.11 3i04 h TYR 444 Cb 0.14 0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 3i04 h TYR 444 CO -0.00 -0.22 0.31 0.78 -1.05 0.00 0.00 178.16 177.98 3i04 h GLY 445 N 0.03 1.12 1.02 3.88 0.00 -0.83 -2.05 103.07 106.24 3i04 h GLY 445 Ca 0.29 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 3i04 h GLY 445 CO -0.56 0.55 0.10 0.83 0.00 0.00 0.00 176.54 177.46 3i04 h GLU 446 N 1.01 0.93 0.26 4.80 5.08 -0.59 0.89 114.58 126.96 3i04 h GLU 446 Ca 0.24 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i04 h GLU 446 Cb 0.16 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3i04 h GLU 446 CO -0.03 0.89 -0.30 0.82 -1.00 0.00 0.00 179.01 179.39 3i04 h ILE 447 N 0.83 0.36 -0.88 3.13 2.04 -1.26 -1.90 117.51 119.83 3i04 h ILE 447 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 3i04 h ILE 447 Cb 0.40 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3i04 h ILE 447 CO 0.01 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.62 3i04 h LEU 448 N -0.61 1.05 0.71 1.44 4.07 -1.09 0.17 115.31 121.04 3i04 h LEU 448 Ca -0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 3i04 h LEU 448 Cb 0.58 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.05 3i04 h LEU 448 CO -0.09 0.81 -0.40 0.58 -1.08 0.00 0.00 178.44 178.26 3i04 h VAL 449 N 1.20 0.00 -0.58 1.22 2.07 -0.81 -1.48 116.25 117.87 3i04 h VAL 449 Ca 0.31 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.87 3i04 h VAL 449 Cb -0.05 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 3i04 h VAL 449 CO -0.06 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.87 3i04 h ALA 450 N -1.36 0.76 -0.05 1.67 0.00 -1.10 -2.64 119.26 116.53 3i04 h ALA 450 Ca -0.10 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 3i04 h ALA 450 Cb 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i04 h ALA 450 CO 0.12 0.05 -0.84 0.87 0.00 0.00 0.00 179.25 179.45 3i04 h LYS 451 N 0.66 0.47 -0.84 0.00 1.79 -0.71 0.31 116.57 118.25 3i04 h LYS 451 Ca 0.24 -0.43 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 3i04 h LYS 451 Cb 0.07 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 3i04 h LYS 451 CO -0.12 1.08 0.45 0.52 -1.08 0.00 0.00 179.45 180.30 3i04 h MET 452 N 0.30 1.18 -0.08 3.15 2.86 -1.22 -0.77 114.93 120.35 3i04 h MET 452 Ca -0.06 -0.14 -0.22 0.00 -2.06 0.00 0.00 59.70 57.22 3i04 h MET 452 Cb 1.45 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 32.89 3i04 h MET 452 CO 0.15 0.87 -0.81 0.87 1.06 0.00 0.00 176.91 179.05 3i04 h LYS 453 N 1.18 0.70 0.17 1.72 1.57 -1.29 -1.99 116.57 118.62 3i04 h LYS 453 Ca 0.30 -0.64 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3i04 h LYS 453 Cb 0.04 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3i04 h LYS 453 CO -0.05 1.24 -0.12 1.49 -0.57 0.00 0.00 179.45 181.44 3i04 h GLU 454 N 0.38 -0.28 0.00 3.15 4.81 -0.72 -3.14 114.58 118.77 3i04 h GLU 454 Ca -0.08 0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 3i04 h GLU 454 Cb 1.46 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.88 3i04 h GLU 454 CO 0.16 -0.19 -0.77 0.93 -0.73 0.00 0.00 179.01 178.42 3i04 h GLU 455 N -0.29 0.00 -1.74 1.92 4.39 -1.21 -3.37 114.58 114.28 3i04 h GLU 455 Ca -0.01 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.13 3i04 h GLU 455 Cb 0.26 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.49 3i04 h GLU 455 CO -0.00 0.77 -0.78 1.19 -1.16 0.00 0.00 179.01 179.03 3i04 n PHE 456 N -3.36 3.21 -1.97 4.33 3.01 -0.75 -5.06 117.46 116.86 3i04 n PHE 456 Ca 0.01 -3.40 -0.36 0.00 1.01 0.00 0.00 57.45 54.70 3i04 n PHE 456 Cb 0.82 -0.26 0.04 0.00 -0.01 0.00 0.00 39.48 40.06 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 -3.41 2.93 0.00 -1.08 0.04 -1.19 -0.48 135.00 131.80 3i04 s PRO 457 Ca 0.46 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3i04 s PRO 457 Cb 0.37 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.98 3i04 s PRO 457 CO -0.14 -1.23 0.00 0.00 0.04 0.00 0.00 177.00 175.67 3i04 n ALA 458 N -1.70 0.00 -0.16 8.56 0.00 -1.26 -4.52 120.51 121.43 3i04 n ALA 458 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 3i04 n ALA 458 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i04 n ALA 458 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i04 h ILE 459 N 0.00 1.27 -3.80 0.00 2.04 -1.80 0.11 117.51 115.34 3i04 h ILE 459 Ca 0.00 -1.34 -0.68 0.00 1.00 0.00 0.00 64.86 63.84 3i04 h ILE 459 Cb 0.00 1.11 -0.34 0.00 -0.74 0.00 0.00 36.82 36.84 3i04 h ILE 459 CO 0.00 0.46 -0.74 -0.69 0.00 0.00 0.00 178.15 177.18 3i04 s VAL 460 N -4.72 2.67 -0.15 1.67 1.01 0.37 -3.62 120.40 117.64 3i04 s VAL 460 Ca -0.12 -1.46 0.11 0.00 0.00 0.00 0.00 61.98 60.51 3i04 s VAL 460 Cb 0.12 -2.54 -0.17 0.00 0.00 0.00 0.00 36.38 33.80 3i04 s VAL 460 CO 0.86 -0.06 0.01 0.47 0.00 0.00 0.00 175.10 176.39 3i04 n ASP 461 N 4.55 1.69 -3.81 3.32 8.00 -0.33 -4.54 116.55 125.43 3i04 n ASP 461 Ca -0.14 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.22 3i04 n ASP 461 Cb 0.43 0.66 -0.11 0.00 -0.02 0.00 0.00 41.12 42.08 3i04 n ASP 461 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i04 s ARG 462 N -2.34 0.31 -0.01 -1.24 0.52 -0.11 -5.02 118.95 111.06 3i04 s ARG 462 Ca -0.10 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 3i04 s ARG 462 Cb 0.05 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.67 3i04 s ARG 462 CO 0.55 -0.05 0.01 0.08 0.02 0.00 0.00 175.30 175.91 3i04 s VAL 463 N -0.27 -0.01 -0.02 3.52 1.01 -1.26 -1.73 120.40 121.64 3i04 s VAL 463 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3i04 s VAL 463 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.31 3i04 s VAL 463 CO 0.01 0.03 -0.09 -1.58 0.00 0.00 0.00 175.10 173.47 3i04 s GLN 464 N 0.33 0.89 -0.05 2.72 0.74 -0.19 -0.14 119.66 123.98 3i04 s GLN 464 Ca -0.03 -0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.11 3i04 s GLN 464 Cb -0.04 -0.84 -0.00 0.00 1.10 0.00 0.00 33.01 33.23 3i04 s GLN 464 CO -0.01 0.14 -0.16 0.08 -0.55 0.00 0.00 175.29 174.79 3i04 s VAL 465 N 0.08 1.34 -0.09 1.34 1.01 -0.04 -0.65 120.40 123.39 3i04 s VAL 465 Ca -0.01 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3i04 s VAL 465 Cb -0.07 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3i04 s VAL 465 CO 0.00 0.39 -0.12 -0.89 0.00 0.00 0.00 175.10 174.48 3i04 s THR 466 N 0.14 1.20 -0.26 3.92 2.01 -0.32 -1.14 115.64 121.20 3i04 s THR 466 Ca -0.06 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 3i04 s THR 466 Cb -0.12 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 3i04 s THR 466 CO 0.02 0.38 0.06 -0.63 -0.69 0.00 0.00 174.62 173.76 3i04 s ILE 467 N 0.99 4.05 -0.32 1.82 1.09 0.08 -1.11 121.20 127.80 3i04 s ILE 467 Ca -0.08 -0.40 -0.11 0.00 -1.10 0.00 0.00 60.65 58.97 3i04 s ILE 467 Cb -0.15 -2.95 -0.01 0.00 -1.06 0.00 0.00 42.46 38.29 3i04 s ILE 467 CO -0.00 0.27 0.18 -0.36 -0.10 0.00 0.00 174.94 174.92 3i04 s PHE 468 N 1.56 3.19 -0.29 3.97 0.40 0.57 -1.03 117.98 126.34 3i04 s PHE 468 Ca 0.05 -0.45 0.10 0.00 -0.60 0.00 0.00 56.93 56.04 3i04 s PHE 468 Cb -0.16 -2.39 -0.13 0.00 0.51 0.00 0.00 43.02 40.85 3i04 s PHE 468 CO 0.02 -0.42 0.35 0.25 0.70 0.00 0.00 175.22 176.13 3i04 n THR 469 N 5.02 0.00 -2.06 0.64 -2.24 -0.75 -0.96 114.28 113.93 3i04 n THR 469 Ca -0.14 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3i04 n THR 469 Cb 0.49 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 3i04 n THR 469 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i04 s ASP 470 N -2.47 6.71 0.31 3.42 2.15 -0.97 -4.31 116.67 121.50 3i04 s ASP 470 Ca 0.01 2.29 0.01 0.00 0.43 0.00 0.00 52.55 55.29 3i04 s ASP 470 Cb 0.07 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.64 3i04 s ASP 470 CO 0.43 -0.83 1.86 -0.08 -0.17 0.00 0.00 175.17 176.37 3i04 h GLU 471 N 8.41 0.69 -0.06 4.34 4.81 -1.93 -2.55 114.58 128.31 3i04 h GLU 471 Ca -0.40 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3i04 h GLU 471 Cb 1.19 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3i04 h GLU 471 CO 0.93 0.65 0.01 0.00 -0.73 0.00 0.00 179.01 179.86 3i04 h ALA 472 N 1.43 0.07 -0.93 2.92 0.00 -1.99 -2.40 119.26 118.36 3i04 h ALA 472 Ca 0.15 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 472 Cb 0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3i04 h ALA 472 CO 0.00 -0.28 0.60 0.87 0.00 0.00 0.00 179.25 180.45 3i04 h LYS 473 N -0.16 1.05 -0.08 0.00 1.79 -1.93 -1.18 116.57 116.07 3i04 h LYS 473 Ca 0.02 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3i04 h LYS 473 Cb 0.29 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3i04 h LYS 473 CO 0.00 0.69 -0.05 0.28 -1.08 0.00 0.00 179.45 179.29 3i04 h VAL 474 N 1.08 1.34 -0.94 0.50 2.07 -1.46 -0.14 116.25 118.70 3i04 h VAL 474 Ca 0.40 -1.13 0.19 0.00 0.82 0.00 0.00 66.70 66.97 3i04 h VAL 474 Cb 0.17 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 3i04 h VAL 474 CO -0.15 0.32 0.60 0.50 0.02 0.00 0.00 177.57 178.86 3i04 h LYS 475 N -0.22 0.57 0.27 1.57 3.11 -1.20 -0.44 116.57 120.22 3i04 h LYS 475 Ca 0.02 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 3i04 h LYS 475 Cb 0.53 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 3i04 h LYS 475 CO 0.01 0.37 -0.13 1.49 -2.81 0.00 0.00 179.45 178.39 3i04 h GLU 476 N 0.58 -0.35 0.00 1.90 4.81 -0.88 -3.31 114.58 117.33 3i04 h GLU 476 Ca 0.51 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 3i04 h GLU 476 Cb 1.01 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3i04 h GLU 476 CO -0.25 -0.23 -0.04 1.88 -0.73 0.00 0.00 179.01 179.64 3i04 h TYR 477 N -0.73 0.00 -0.96 0.92 -1.99 -1.04 -2.04 116.97 111.13 3i04 h TYR 477 Ca -0.04 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.86 3i04 h TYR 477 Cb 0.28 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.92 3i04 h TYR 477 CO 0.04 0.04 0.61 1.98 -0.00 0.00 0.00 178.16 180.82 3i04 h MET 478 N 0.00 0.73 -0.24 4.88 1.85 -1.16 -0.34 114.93 120.65 3i04 h MET 478 Ca -0.00 -0.04 -0.16 0.00 -0.61 0.00 0.00 59.70 58.89 3i04 h MET 478 Cb 0.36 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.22 3i04 h MET 478 CO 0.01 0.48 -0.46 0.93 -0.40 0.00 0.00 176.91 177.47 3i04 h GLU 479 N 0.75 0.73 -0.47 0.39 4.39 -1.46 -0.80 114.58 118.11 3i04 h GLU 479 Ca 0.51 -0.47 0.10 0.00 0.34 0.00 0.00 59.36 59.84 3i04 h GLU 479 Cb 0.79 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.41 3i04 h GLU 479 CO -0.28 1.09 -0.14 0.28 -1.16 0.00 0.00 179.01 178.80 3i04 h VAL 480 N 0.46 0.48 -0.27 3.13 2.07 -1.48 -2.25 116.25 118.40 3i04 h VAL 480 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3i04 h VAL 480 Cb 1.06 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3i04 h VAL 480 CO 0.10 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.86 3i04 h ALA 481 N 1.40 0.34 -0.91 1.67 0.00 -1.03 -2.72 119.26 118.02 3i04 h ALA 481 Ca 0.23 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.22 3i04 h ALA 481 Cb 0.38 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3i04 h ALA 481 CO -0.50 -0.16 0.58 0.00 0.00 0.00 0.00 179.25 179.17 3i04 h ARG 482 N 0.34 0.78 -0.02 0.00 3.08 -0.83 -0.85 114.38 116.88 3i04 h ARG 482 Ca 0.10 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i04 h ARG 482 Cb 0.00 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3i04 h ARG 482 CO -0.02 0.51 0.01 1.49 -1.07 0.00 0.00 179.97 180.90 3i04 h GLU 483 N 0.80 0.03 -0.27 0.04 4.81 -1.12 -2.60 114.58 116.27 3i04 h GLU 483 Ca 0.44 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.72 3i04 h GLU 483 Cb 0.58 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 3i04 h GLU 483 CO -0.21 0.08 -0.03 0.87 -0.73 0.00 0.00 179.01 179.00 3i04 h LYS 484 N -0.03 0.04 -0.87 1.92 1.79 -1.05 -1.67 116.57 116.70 3i04 h LYS 484 Ca 0.01 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3i04 h LYS 484 Cb 0.06 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 3i04 h LYS 484 CO -0.00 0.03 0.57 1.88 -1.08 0.00 0.00 179.45 180.84 3i04 h TYR 485 N 0.04 1.10 -0.05 -1.35 0.99 -1.02 0.27 116.97 116.96 3i04 h TYR 485 Ca 0.13 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 3i04 h TYR 485 Cb 0.19 -0.37 -0.00 0.00 1.00 0.00 0.00 36.73 37.55 3i04 h TYR 485 CO -0.24 0.70 -0.00 0.87 -0.00 0.00 0.00 178.16 179.49 3i04 h LYS 486 N 1.18 0.09 -0.12 4.88 1.57 -1.34 0.13 116.57 122.96 3i04 h LYS 486 Ca 0.32 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 3i04 h LYS 486 Cb -0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 3i04 h LYS 486 CO -0.07 0.38 -0.35 0.93 -0.57 0.00 0.00 179.45 179.77 3i04 h GLU 487 N -0.22 -0.42 -0.31 3.15 5.08 -0.87 0.01 114.58 121.01 3i04 h GLU 487 Ca 0.01 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3i04 h GLU 487 Cb 0.34 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3i04 h GLU 487 CO 0.00 -0.28 -0.04 0.00 -1.00 0.00 0.00 179.01 177.70 3i04 h ARG 488 N -0.43 0.05 -0.96 2.33 3.08 -0.91 -1.86 114.38 115.67 3i04 h ARG 488 Ca 0.09 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.22 3i04 h ARG 488 Cb 0.57 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 3i04 h ARG 488 CO -0.36 0.03 0.61 -0.44 -1.07 0.00 0.00 179.97 178.74 3i04 h ASP 489 N 0.05 0.94 -0.04 7.04 3.32 -0.35 -0.18 116.42 127.20 3i04 h ASP 489 Ca 0.15 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3i04 h ASP 489 Cb 0.22 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3i04 h ASP 489 CO -0.28 0.57 0.00 0.44 -1.72 0.00 0.00 179.24 178.25 3i04 h ASP 490 N 1.06 0.06 -0.58 6.45 3.45 -0.62 -2.78 116.42 123.46 3i04 h ASP 490 Ca 0.44 -0.29 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 3i04 h ASP 490 Cb 0.27 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 3i04 h ASP 490 CO -0.20 0.34 0.24 0.03 -1.57 0.00 0.00 179.24 178.07 3i04 h ARG 491 N -0.22 0.86 -0.81 3.56 3.08 -0.99 -2.87 114.38 116.99 3i04 h ARG 491 Ca 0.01 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3i04 h ARG 491 Cb 0.30 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3i04 h ARG 491 CO 0.00 0.73 0.54 0.52 -1.07 0.00 0.00 179.97 180.69 3i04 h MET 492 N 0.80 1.01 0.00 0.04 2.86 -1.04 0.23 114.93 118.82 3i04 h MET 492 Ca 0.19 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3i04 h MET 492 Cb 0.18 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3i04 h MET 492 CO -0.02 0.67 0.00 -0.09 1.06 0.00 0.00 176.91 178.53 3i04 h ARG 493 N 1.04 0.00 -0.01 1.72 2.43 -1.27 -1.37 114.38 116.93 3i04 h ARG 493 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3i04 h ARG 493 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3i04 h ARG 493 CO -0.08 0.00 -0.55 0.41 -1.51 0.00 0.00 179.97 178.24 3i04 n GLY 494 N -0.42 -0.18 3.46 2.80 0.00 0.70 -4.75 105.19 106.80 3i04 n GLY 494 Ca 0.00 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 3i04 n GLY 494 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i04 s LEU 495 N -2.49 4.82 0.39 0.99 0.20 -0.52 -4.83 118.68 117.24 3i04 s LEU 495 Ca 0.15 -1.82 0.08 0.00 0.69 0.00 0.00 54.13 53.23 3i04 s LEU 495 Cb 0.16 -2.41 -0.07 0.00 -0.43 0.00 0.00 46.19 43.44 3i04 s LEU 495 CO 0.59 -1.16 0.03 0.42 -0.29 0.00 0.00 176.35 175.94 3i04 s THR 496 N 3.10 2.21 0.15 3.68 -4.23 -1.26 -4.67 115.64 114.62 3i04 s THR 496 Ca 0.32 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.71 3i04 s THR 496 Cb -0.07 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.88 3i04 s THR 496 CO -0.06 -0.06 1.81 0.44 -0.54 0.00 0.00 174.62 176.20 3i04 h ASP 497 N 1.73 0.49 -0.12 3.99 5.19 -1.94 -2.15 116.42 123.61 3i04 h ASP 497 Ca -0.43 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3i04 h ASP 497 Cb 1.25 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3i04 h ASP 497 CO 0.74 0.37 0.08 -0.33 -3.12 0.00 0.00 179.24 176.98 3i04 h GLU 498 N 0.56 0.16 -0.01 3.56 3.07 -1.98 -3.02 114.58 116.92 3i04 h GLU 498 Ca 0.15 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3i04 h GLU 498 Cb -0.05 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3i04 h GLU 498 CO -0.03 0.11 -0.29 0.25 -1.40 0.00 0.00 179.01 177.65 3i04 n THR 499 N -4.51 0.00 -3.77 1.13 -2.24 -0.83 -4.86 114.28 99.19 3i04 n THR 499 Ca -0.01 -0.10 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 3i04 n THR 499 Cb 0.08 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.59 5.23 -1.44 2.28 -7.23 -1.07 -4.92 120.40 110.67 3i04 s VAL 500 Ca 0.22 -0.58 0.14 0.00 -1.81 0.00 0.00 61.98 59.95 3i04 s VAL 500 Cb 0.19 -3.78 0.28 0.00 0.56 0.00 0.00 36.38 33.63 3i04 s VAL 500 CO 0.55 -0.23 1.17 -0.90 -0.31 0.00 0.00 175.10 175.38 3i04 n ASP 501 N -0.92 2.78 -3.70 4.85 5.68 -1.26 -4.93 116.55 119.05 3i04 n ASP 501 Ca -0.06 -1.83 -0.15 0.00 -0.50 0.00 0.00 54.79 52.24 3i04 n ASP 501 Cb 0.55 -0.18 -0.15 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.08 -0.19 0.46 2.12 2.01 -1.26 -0.32 115.64 117.38 3i04 s THR 502 Ca 0.24 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.56 3i04 s THR 502 Cb 0.14 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.37 3i04 s THR 502 CO 0.19 0.12 0.66 -0.36 -0.69 0.00 0.00 174.62 174.54 3i04 s PHE 503 N 1.87 2.97 0.05 4.92 2.99 -0.48 -4.91 117.98 125.39 3i04 s PHE 503 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 56.93 56.90 3i04 s PHE 503 Cb -0.12 -2.45 -0.03 0.00 0.00 0.00 0.00 43.02 40.42 3i04 s PHE 503 CO -0.06 -0.52 -0.19 0.71 -0.00 0.00 0.00 175.22 175.16 3i04 s TYR 504 N -2.53 1.62 0.54 0.36 1.51 -0.31 0.21 117.35 118.75 3i04 s TYR 504 Ca 0.53 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 56.18 3i04 s TYR 504 Cb -0.10 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 3i04 s TYR 504 CO 0.36 0.09 0.81 -1.54 -1.11 0.00 0.00 175.55 174.16 3i04 s SER 505 N -1.29 5.64 -0.03 2.29 1.04 -0.12 0.26 113.70 121.47 3i04 s SER 505 Ca 0.05 0.51 0.01 0.00 0.48 0.00 0.00 55.95 57.00 3i04 s SER 505 Cb -0.09 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.48 3i04 s SER 505 CO 0.02 -0.95 -0.04 0.00 0.98 0.00 0.00 173.24 173.25 3i04 n VAL 507 N 3.82 1.79 -0.24 0.00 0.24 0.00 -1.69 118.33 122.26 3i04 n VAL 507 Ca -0.23 -2.58 -0.06 0.00 -2.04 0.00 0.00 64.34 59.42 3i04 n VAL 507 Cb 0.52 -0.08 0.04 0.00 -1.47 0.00 0.00 33.84 32.85 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 0.65 0.82 0.00 1.34 5.85 -1.92 -2.62 115.31 119.43 3i04 h LEU 508 Ca -0.02 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3i04 h LEU 508 Cb 1.11 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3i04 h LEU 508 CO 0.01 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 3i04 h GLN 510 N 0.00 0.00 -0.06 0.00 4.20 -1.60 0.34 115.11 118.00 3i04 h GLN 510 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3i04 h GLN 510 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3i04 h GLN 510 CO 0.00 0.00 0.05 0.66 -0.67 0.00 0.00 178.83 178.87 3i04 h SER 511 N 0.00 0.00 0.00 1.46 4.64 -1.79 -3.30 113.55 114.56 3i04 h SER 511 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3i04 h SER 511 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3i04 h SER 511 CO 0.00 0.00 -1.13 0.49 -0.87 0.00 0.00 176.83 175.32 3i04 n PHE 512 N -4.12 0.00 -3.91 4.77 3.01 -0.20 -4.87 117.46 112.14 3i04 n PHE 512 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 3i04 n PHE 512 Cb 0.15 -0.09 -0.13 0.00 -0.01 0.00 0.00 39.48 39.40 3i04 n PHE 512 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i04 s ALA 513 N -2.05 3.61 0.59 4.37 0.00 0.10 -2.67 121.76 125.72 3i04 s ALA 513 Ca -0.01 -3.64 0.30 0.00 0.00 0.00 0.00 51.96 48.60 3i04 s ALA 513 Cb 0.01 -2.15 1.81 0.00 0.00 0.00 0.00 23.12 22.78 3i04 s ALA 513 CO 0.07 -2.07 2.24 -1.00 0.00 0.00 0.00 175.76 175.00 3i04 h PRO 514 N 5.75 0.00 -0.12 0.00 0.13 -1.81 -0.20 132.00 135.75 3i04 h PRO 514 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 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 0.70 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 3i04 n ASN 515 N -3.85 2.54 -4.78 1.44 3.02 -1.26 -4.85 115.26 107.52 3i04 n ASN 515 Ca -0.03 -1.74 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 3i04 n ASN 515 Cb 0.10 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.27 3.72 -0.04 3.10 2.46 -0.09 -4.42 115.29 118.75 3i04 s HIS 516 Ca 0.22 1.76 -0.00 0.00 0.47 0.00 0.00 55.06 57.50 3i04 s HIS 516 Cb 0.14 -2.90 0.03 0.00 -0.13 0.00 0.00 32.58 29.72 3i04 s HIS 516 CO 0.21 0.25 0.00 0.08 -2.47 0.00 0.00 174.74 172.81 3i04 s VAL 517 N -1.55 0.22 0.10 0.89 1.01 -1.26 -4.66 120.40 115.14 3i04 s VAL 517 Ca 0.48 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 3i04 s VAL 517 Cb -0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 36.38 35.80 3i04 s VAL 517 CO 0.24 0.18 0.39 0.00 0.00 0.00 0.00 175.10 175.91 3i04 s ILE 519 N -1.49 3.45 -0.25 0.00 -1.09 -1.26 -1.41 121.20 119.15 3i04 s ILE 519 Ca 0.36 -0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 58.22 3i04 s ILE 519 Cb -0.13 -2.59 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 3i04 s ILE 519 CO 0.20 0.40 0.06 -0.69 -1.23 0.00 0.00 174.94 173.68 3i04 s VAL 520 N 1.49 4.13 0.34 2.92 1.01 0.14 -4.86 120.40 125.57 3i04 s VAL 520 Ca 0.06 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.81 3i04 s VAL 520 Cb -0.14 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3i04 s VAL 520 CO -0.03 0.30 0.03 0.42 0.00 0.00 0.00 175.10 175.83 3i04 s THR 521 N 1.58 2.64 0.35 3.92 -4.23 -0.85 -1.16 115.64 117.89 3i04 s THR 521 Ca 0.06 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 3i04 s THR 521 Cb -0.15 -2.83 0.31 0.00 1.34 0.00 0.00 72.50 71.17 3i04 s THR 521 CO 0.02 -0.19 1.90 -0.65 -0.54 0.00 0.00 174.62 175.17 3i04 h PRO 522 N 1.77 0.74 -0.66 3.99 0.11 -1.89 -1.88 132.00 134.19 3i04 h PRO 522 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i04 h PRO 522 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i04 h PRO 522 CO 0.67 0.49 0.00 0.39 -0.21 0.00 0.00 178.00 179.34 3i04 n GLU 523 N -4.53 3.77 -3.35 1.05 1.02 -1.26 -4.69 120.64 112.65 3i04 n GLU 523 Ca 0.15 -2.85 -0.15 0.00 -0.02 0.00 0.00 57.16 54.29 3i04 n GLU 523 Cb 0.35 -1.92 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 3i04 n GLU 523 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3i04 s ARG 524 N -1.90 0.53 0.92 3.49 3.52 -0.70 -4.55 118.95 120.26 3i04 s ARG 524 Ca 0.51 -0.50 -0.10 0.00 -0.13 0.00 0.00 55.73 55.50 3i04 s ARG 524 Cb 0.33 -0.61 0.15 0.00 -1.56 0.00 0.00 34.95 33.26 3i04 s ARG 524 CO 0.24 -1.13 1.12 0.54 -0.81 0.00 0.00 175.30 175.26 3i04 s VAL 525 N 1.85 2.29 0.54 7.11 0.11 -1.26 -2.01 120.40 129.04 3i04 s VAL 525 Ca 0.14 0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 59.06 3i04 s VAL 525 Cb -0.14 -2.22 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 3i04 s VAL 525 CO -0.15 -0.12 1.38 -0.83 -3.33 0.00 0.00 175.10 172.04 3i04 s GLY 526 N -2.81 2.90 0.60 6.54 0.00 0.11 -4.63 107.32 110.04 3i04 s GLY 526 Ca 0.66 1.38 0.38 0.00 0.00 0.00 0.00 44.72 47.14 3i04 s GLY 526 CO 0.58 1.91 2.17 0.17 0.00 0.00 0.00 173.10 177.94 3i04 h LEU 527 N 1.51 0.00 -0.67 0.66 8.10 -1.88 -0.22 115.31 122.81 3i04 h LEU 527 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.48 3i04 h LEU 527 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.52 3i04 h LEU 527 CO 0.57 0.01 0.00 0.00 -4.11 0.00 0.00 178.44 174.91 3i04 n GLY 529 N 0.41 0.83 0.38 0.00 0.00 -0.09 -4.67 105.19 102.05 3i04 n GLY 529 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 0.70 2.39 -3.67 4.61 0.00 -1.26 -4.88 120.51 118.39 3i04 n ALA 530 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 53.44 52.43 3i04 n ALA 530 Cb 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.79 0.54 0.52 0.00 1.01 -1.26 -5.01 120.40 115.41 3i04 s VAL 531 Ca 0.12 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3i04 s VAL 531 Cb 0.08 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 35.11 3i04 s VAL 531 CO 0.11 -0.64 0.74 -0.94 0.00 0.00 0.00 175.10 174.37 3i04 s SER 532 N 1.80 5.40 0.25 3.32 1.04 -1.26 0.08 113.70 124.33 3i04 s SER 532 Ca 0.08 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 3i04 s SER 532 Cb -0.17 -0.98 0.51 0.00 0.10 0.00 0.00 66.02 65.48 3i04 s SER 532 CO -0.27 -1.04 1.70 -0.25 0.98 0.00 0.00 173.24 174.36 3i04 h TRP 533 N 0.17 0.41 -0.43 5.02 7.01 -1.87 -0.58 115.95 125.67 3i04 h TRP 533 Ca -0.43 0.04 -0.13 0.00 2.11 0.00 0.00 58.89 60.49 3i04 h TRP 533 Cb 1.29 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.27 3i04 h TRP 533 CO 0.39 -0.04 -0.23 -0.07 -2.79 0.00 0.00 178.44 175.70 3i04 h LEU 534 N 0.34 0.90 -0.48 0.65 3.38 -1.94 0.88 115.31 119.04 3i04 h LEU 534 Ca 0.44 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3i04 h LEU 534 Cb 0.75 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3i04 h LEU 534 CO -0.48 1.09 0.29 0.44 0.09 0.00 0.00 178.44 179.86 3i04 h ASP 535 N 0.76 0.46 -0.55 -0.43 3.32 -1.72 -1.46 116.42 116.80 3i04 h ASP 535 Ca 0.10 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3i04 h ASP 535 Cb 0.78 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3i04 h ASP 535 CO 0.06 0.33 -0.01 0.00 -1.72 0.00 0.00 179.24 177.90 3i04 h ALA 536 N 1.22 0.74 -0.42 3.45 0.00 -0.83 -1.09 119.26 122.32 3i04 h ALA 536 Ca 0.20 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3i04 h ALA 536 Cb 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3i04 h ALA 536 CO -0.09 0.58 0.19 -0.22 0.00 0.00 0.00 179.25 179.71 3i04 h LYS 537 N 0.86 0.38 -0.35 0.00 3.64 -0.73 -0.01 116.57 120.37 3i04 h LYS 537 Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3i04 h LYS 537 Cb 0.55 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3i04 h LYS 537 CO 0.03 0.25 0.20 0.00 -2.27 0.00 0.00 179.45 177.66 3i04 h ALA 538 N 1.24 0.45 -0.66 5.00 0.00 -1.12 -1.25 119.26 122.93 3i04 h ALA 538 Ca 0.19 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3i04 h ALA 538 Cb 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3i04 h ALA 538 CO -0.15 -0.03 0.34 1.03 0.00 0.00 0.00 179.25 180.44 3i04 h SER 539 N 0.44 0.47 -0.15 0.00 0.87 -0.95 0.59 113.55 114.83 3i04 h SER 539 Ca 0.12 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3i04 h SER 539 Cb 0.05 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3i04 h SER 539 CO -0.02 0.29 -0.07 0.22 -0.53 0.00 0.00 176.83 176.72 3i04 h TYR 540 N 0.61 -0.17 -0.90 2.24 3.20 -0.79 -1.01 116.97 120.15 3i04 h TYR 540 Ca 0.31 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.31 3i04 h TYR 540 Cb 0.26 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 3i04 h TYR 540 CO -0.10 -0.12 0.58 0.93 -1.64 0.00 0.00 178.16 177.82 3i04 h GLU 541 N -0.06 0.81 -0.51 1.82 4.39 -0.84 -1.76 114.58 118.43 3i04 h GLU 541 Ca 0.08 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3i04 h GLU 541 Cb 0.18 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3i04 h GLU 541 CO -0.18 0.53 -0.06 0.82 -1.16 0.00 0.00 179.01 178.96 3i04 h ILE 542 N 0.83 1.27 -1.86 3.13 2.04 -0.61 -3.44 117.51 118.88 3i04 h ILE 542 Ca 0.44 -1.18 -0.18 0.00 1.00 0.00 0.00 64.86 64.94 3i04 h ILE 542 Cb 0.53 1.00 -0.30 0.00 -0.74 0.00 0.00 36.82 37.31 3i04 h ILE 542 CO -0.20 0.41 -0.51 0.21 0.00 0.00 0.00 178.15 178.06 3i04 s ASN 543 N -6.49 0.43 0.24 1.72 3.84 -0.41 -4.95 114.94 109.32 3i04 s ASN 543 Ca -0.12 -0.07 0.22 0.00 0.21 0.00 0.00 52.86 53.10 3i04 s ASN 543 Cb 0.12 1.05 0.95 0.00 -0.55 0.00 0.00 41.25 42.82 3i04 s ASN 543 CO 0.84 -0.33 1.68 1.41 -2.79 0.00 0.00 177.10 177.91 3i04 n HIS 544 N 5.36 0.72 -0.57 0.43 8.25 -1.07 -1.62 115.22 126.72 3i04 n HIS 544 Ca -0.02 0.29 0.07 0.00 -0.26 0.00 0.00 57.72 57.80 3i04 n HIS 544 Cb 0.50 -0.97 0.23 0.00 1.12 0.00 0.00 29.99 30.87 3i04 n HIS 544 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i04 n ALA 545 N -1.75 2.65 -1.36 -1.41 0.00 -1.26 -4.99 120.51 112.40 3i04 n ALA 545 Ca 0.02 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.79 3i04 n ALA 545 Cb 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.23 0.17 0.00 0.00 0.00 -0.64 -4.95 105.19 100.00 3i04 n GLY 546 Ca 0.18 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.03 0.29 -4.42 1.61 -0.04 -1.26 -4.67 135.00 126.49 3i04 n PRO 547 Ca 0.00 0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 3i04 n PRO 547 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.64 2.73 -0.03 3.54 -0.87 -1.26 -0.82 114.94 115.59 3i04 s ASN 548 Ca 0.22 -0.51 0.05 0.00 -1.57 0.00 0.00 52.86 51.05 3i04 s ASN 548 Cb 0.17 -1.24 -0.01 0.00 -0.02 0.00 0.00 41.25 40.15 3i04 s ASN 548 CO 0.39 0.02 -0.17 -1.10 -2.57 0.00 0.00 177.10 173.67 3i04 s GLN 549 N 1.05 1.60 0.18 -0.60 -0.21 -1.23 -4.22 119.66 116.23 3i04 s GLN 549 Ca -0.04 -0.61 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 3i04 s GLN 549 Cb -0.15 -1.46 -0.08 0.00 1.00 0.00 0.00 33.01 32.32 3i04 s GLN 549 CO -0.04 0.31 1.23 -1.25 -2.12 0.00 0.00 175.29 173.42 3i04 s PRO 550 N -0.18 4.46 -0.26 2.91 0.04 -1.26 -0.95 135.00 139.76 3i04 s PRO 550 Ca 0.01 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.00 3i04 s PRO 550 Cb -0.09 -3.23 0.06 0.00 0.04 0.00 0.00 34.50 31.27 3i04 s PRO 550 CO 0.01 -0.15 -0.11 0.42 0.04 0.00 0.00 177.00 177.21 3i04 s ILE 551 N 0.06 2.16 0.21 0.56 1.01 0.13 -4.92 121.20 120.41 3i04 s ILE 551 Ca 0.54 -1.62 -0.32 0.00 0.00 0.00 0.00 60.65 59.24 3i04 s ILE 551 Cb -0.34 -2.27 -0.13 0.00 0.01 0.00 0.00 42.46 39.74 3i04 s ILE 551 CO 0.37 -0.02 1.57 -0.81 0.00 0.00 0.00 174.94 176.04 3i04 n PRO 552 N 4.44 2.32 -2.57 2.79 -0.04 -1.26 -1.38 135.00 139.29 3i04 n PRO 552 Ca -0.14 0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 3i04 n PRO 552 Cb 0.42 -2.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.28 3i04 n PRO 552 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3i04 s LYS 553 N 0.46 3.82 0.04 0.54 2.20 0.56 -4.67 119.74 122.69 3i04 s LYS 553 Ca 0.74 -1.63 -0.03 0.00 -0.36 0.00 0.00 55.97 54.68 3i04 s LYS 553 Cb -0.61 -5.46 -0.02 0.00 -1.51 0.00 0.00 37.83 30.22 3i04 s LYS 553 CO 0.41 -2.24 0.03 -1.21 -0.36 0.00 0.00 175.35 171.98 3i04 s GLU 554 N 4.55 0.56 -0.59 4.03 2.02 -1.26 -4.89 118.70 123.11 3i04 s GLU 554 Ca 0.51 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 3i04 s GLU 554 Cb 0.02 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.46 3i04 s GLU 554 CO 0.01 -0.12 0.50 0.41 0.02 0.00 0.00 175.26 176.07 3i04 n GLY 555 N 0.63 0.09 3.68 -1.39 0.00 -1.26 -1.62 105.19 105.32 3i04 n GLY 555 Ca -0.18 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 3i04 n GLY 555 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i04 n GLU 556 N -2.54 2.58 -0.11 1.61 2.13 -1.26 -0.14 120.64 122.92 3i04 n GLU 556 Ca -0.11 0.94 -0.15 0.00 0.66 0.00 0.00 57.16 58.50 3i04 n GLU 556 Cb 0.57 -2.82 -0.10 0.00 0.27 0.00 0.00 31.44 29.37 3i04 n GLU 556 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i04 n ILE 557 N 4.71 1.22 -3.30 6.31 5.41 0.32 -4.91 119.36 129.12 3i04 n ILE 557 Ca 0.19 -0.47 -0.06 0.00 1.00 0.00 0.00 62.75 63.42 3i04 n ILE 557 Cb 0.35 -1.24 -0.06 0.00 -0.71 0.00 0.00 39.64 37.97 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 -6.05 -0.21 0.15 4.38 -1.08 -0.95 -4.97 116.67 107.94 3i04 s ASP 558 Ca -0.28 0.41 0.26 0.00 -0.52 0.00 0.00 52.55 52.42 3i04 s ASP 558 Cb 0.07 1.41 0.79 0.00 -1.46 0.00 0.00 42.92 43.73 3i04 s ASP 558 CO 0.49 -0.29 1.71 -0.81 0.52 0.00 0.00 175.17 176.79 3i04 n PRO 559 N 5.38 0.21 -0.06 4.34 -0.04 -1.26 -0.33 135.00 143.24 3i04 n PRO 559 Ca -0.03 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 3i04 n PRO 559 Cb 0.50 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 3i04 n PRO 559 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i04 h ILE 560 N 0.00 1.02 0.00 0.52 5.03 -1.96 -3.33 117.51 118.79 3i04 h ILE 560 Ca 0.00 -1.77 -0.07 0.00 -0.12 0.00 0.00 64.86 62.90 3i04 h ILE 560 Cb 0.69 1.94 -0.01 0.00 -3.03 0.00 0.00 36.82 36.40 3i04 h ILE 560 CO 0.00 0.35 -0.32 0.11 -0.68 0.00 0.00 178.15 177.60 3i04 h LYS 561 N -1.00 0.00 -2.03 2.37 1.57 -1.91 -3.36 116.57 112.21 3i04 h LYS 561 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i04 h LYS 561 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3i04 h LYS 561 CO -0.00 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.61 3i04 n GLY 562 N -0.12 0.71 3.29 3.86 0.00 -0.14 -1.41 105.19 111.37 3i04 n GLY 562 Ca -0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.71 2.77 -0.05 -0.61 1.01 0.55 -1.01 121.20 121.16 3i04 s ILE 563 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3i04 s ILE 563 Cb 0.00 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3i04 s ILE 563 CO 0.00 0.52 -0.10 0.26 0.00 0.00 0.00 174.94 175.61 3i04 s TRP 564 N 0.67 1.19 0.20 3.97 0.51 -1.26 -0.52 118.94 123.70 3i04 s TRP 564 Ca -0.07 -0.37 -0.11 0.00 -2.12 0.00 0.00 56.10 53.42 3i04 s TRP 564 Cb -0.16 -0.88 0.15 0.00 -0.81 0.00 0.00 33.47 31.77 3i04 s TRP 564 CO 0.02 -0.19 1.85 -0.22 -0.51 0.00 0.00 176.95 177.90 3i04 h LYS 565 N 6.74 0.80 -0.05 4.98 3.64 -0.55 -0.67 116.57 131.45 3i04 h LYS 565 Ca -0.33 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 3i04 h LYS 565 Cb 1.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3i04 h LYS 565 CO 0.48 0.53 -0.08 0.66 -2.27 0.00 0.00 179.45 178.77 3i04 h SER 566 N 0.82 0.07 0.11 4.20 4.64 -1.53 0.39 113.55 122.25 3i04 h SER 566 Ca 0.25 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.28 3i04 h SER 566 Cb -0.02 -0.02 0.03 0.00 -0.31 0.00 0.00 62.40 62.08 3i04 h SER 566 CO -0.09 0.16 -1.19 0.58 -0.87 0.00 0.00 176.83 175.42 3i04 h VAL 567 N 0.07 1.29 -0.08 0.95 2.07 -1.63 -2.44 116.25 116.49 3i04 h VAL 567 Ca 0.02 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.12 3i04 h VAL 567 Cb 0.19 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3i04 h VAL 567 CO 0.01 0.74 0.04 0.78 0.02 0.00 0.00 177.57 179.16 3i04 h ASN 568 N 0.30 0.10 -0.52 0.57 2.35 -0.81 -1.36 115.58 116.21 3i04 h ASN 568 Ca -0.17 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3i04 h ASN 568 Cb 1.86 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 40.16 3i04 h ASN 568 CO 0.23 0.18 0.29 0.44 -1.65 0.00 0.00 177.43 176.92 3i04 h ASP 569 N 0.01 0.45 0.00 5.81 3.32 -0.97 -1.15 116.42 123.89 3i04 h ASP 569 Ca 0.03 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3i04 h ASP 569 Cb 0.11 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3i04 h ASP 569 CO -0.00 0.31 -0.07 0.22 -1.72 0.00 0.00 179.24 177.98 3i04 h TYR 570 N 0.57 -0.18 -0.58 4.55 3.20 -1.32 -3.12 116.97 120.09 3i04 h TYR 570 Ca 0.22 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.15 3i04 h TYR 570 Cb 0.08 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3i04 h TYR 570 CO -0.08 -0.11 0.30 1.25 -1.64 0.00 0.00 178.16 177.88 3i04 h LEU 571 N -0.13 0.44 -0.49 2.82 6.46 -1.00 0.30 115.31 123.71 3i04 h LEU 571 Ca 0.03 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.92 3i04 h LEU 571 Cb 0.16 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.95 3i04 h LEU 571 CO -0.07 0.29 -0.06 0.22 -0.62 0.00 0.00 178.44 178.20 3i04 h TYR 572 N 0.58 -0.14 0.23 1.25 3.20 -1.16 0.70 116.97 121.62 3i04 h TYR 572 Ca 0.26 0.04 -0.33 0.00 3.14 0.00 0.00 58.73 61.83 3i04 h TYR 572 Cb 0.16 0.14 0.03 0.00 1.54 0.00 0.00 36.73 38.60 3i04 h TYR 572 CO -0.09 -0.16 -1.51 1.15 -1.64 0.00 0.00 178.16 175.90 3i04 h THR 573 N 0.05 1.24 -0.29 1.81 2.02 -1.46 0.48 112.91 116.76 3i04 h THR 573 Ca 0.24 -2.71 -0.05 0.00 0.77 0.00 0.00 66.41 64.67 3i04 h THR 573 Cb 0.37 2.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 3i04 h THR 573 CO -0.46 0.83 -0.02 0.00 0.37 0.00 0.00 175.52 176.24 3i04 h ALA 574 N 0.20 1.42 -0.28 6.16 0.00 -0.74 -2.20 119.26 123.83 3i04 h ALA 574 Ca -0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i04 h ALA 574 Cb 2.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3i04 h ALA 574 CO 0.25 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 3i04 n SER 575 N -4.29 2.47 -3.43 0.00 3.41 0.22 -4.85 113.62 107.15 3i04 n SER 575 Ca 0.01 -2.23 -0.24 0.00 -0.26 0.00 0.00 58.87 56.15 3i04 n SER 575 Cb 0.24 -0.42 0.05 0.00 -0.26 0.00 0.00 64.21 63.82 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 0.34 -5.96 -0.43 4.04 3.02 -0.83 -2.27 115.26 113.18 3i04 n ASN 576 Ca 0.11 -0.48 -0.05 0.00 -0.03 0.00 0.00 54.58 54.14 3i04 n ASN 576 Cb 0.49 -4.75 -0.02 0.00 -0.61 0.00 0.00 39.78 34.90 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 -4.56 -0.37 -0.01 3.52 1.74 0.16 -4.94 116.66 112.20 3i04 n ARG 577 Ca -0.03 0.58 -0.01 0.00 -0.77 0.00 0.00 57.85 57.63 3i04 n ARG 577 Cb 0.58 -4.32 -0.12 0.00 -1.02 0.00 0.00 32.46 27.58 3i04 n ARG 577 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i04 n ASN 578 N 1.14 0.52 -4.27 0.55 3.02 -0.96 -4.91 115.26 110.35 3i04 n ASN 578 Ca -0.05 0.23 -0.27 0.00 -0.03 0.00 0.00 54.58 54.46 3i04 n ASN 578 Cb 0.25 0.65 -0.15 0.00 -0.61 0.00 0.00 39.78 39.93 3i04 n ASN 578 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i04 s LEU 579 N -5.51 2.14 -0.03 3.41 1.43 -1.26 -5.03 118.68 113.83 3i04 s LEU 579 Ca -0.05 -0.51 0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3i04 s LEU 579 Cb 0.09 -1.07 -0.21 0.00 0.03 0.00 0.00 46.19 45.03 3i04 s LEU 579 CO 0.83 0.20 0.29 -0.62 0.23 0.00 0.00 176.35 177.28 3i04 n GLU 580 N 1.96 0.54 -3.72 1.70 1.02 -1.26 -3.55 120.64 117.33 3i04 n GLU 580 Ca -0.17 -0.12 -0.14 0.00 -0.02 0.00 0.00 57.16 56.72 3i04 n GLU 580 Cb 0.53 -1.33 -0.09 0.00 -0.02 0.00 0.00 31.44 30.53 3i04 n GLU 580 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3i04 s GLN 581 N -2.92 0.64 -0.02 3.49 0.74 -1.26 -4.67 119.66 115.65 3i04 s GLN 581 Ca -0.05 0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.56 3i04 s GLN 581 Cb 0.09 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.49 3i04 s GLN 581 CO 0.58 -0.15 -0.09 0.54 -0.55 0.00 0.00 175.29 175.62 3i04 s VAL 582 N -0.68 0.77 -0.22 1.34 0.11 -1.26 -4.86 120.40 115.60 3i04 s VAL 582 Ca -0.08 -0.36 -0.14 0.00 -2.93 0.00 0.00 61.98 58.48 3i04 s VAL 582 Cb -0.04 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3i04 s VAL 582 CO 0.03 0.24 0.30 0.00 -3.33 0.00 0.00 175.10 172.34 3i04 n LEU 584 N 4.48 0.76 -0.22 0.00 4.77 -0.18 -4.04 117.00 122.57 3i04 n LEU 584 Ca -0.11 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.42 3i04 n LEU 584 Cb 0.51 -0.28 0.12 0.00 -2.33 0.00 0.00 43.42 41.44 3i04 n LEU 584 CO 0.38 -0.14 0.48 -1.22 -1.33 0.00 0.00 177.39 175.56 3i04 n TYR 585 N -2.19 0.00 -4.04 -1.77 0.53 -0.50 -4.86 117.16 104.32 3i04 n TYR 585 Ca 0.05 -0.84 -0.07 0.00 -1.02 0.00 0.00 57.90 56.01 3i04 n TYR 585 Cb 0.43 -0.14 -0.09 0.00 -1.03 0.00 0.00 39.34 38.51 3i04 n TYR 585 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3i04 s THR 586 N -2.32 0.20 -0.25 -0.72 -1.32 -1.26 -1.64 115.64 108.33 3i04 s THR 586 Ca 0.27 -1.68 0.19 0.00 -1.21 0.00 0.00 61.69 59.25 3i04 s THR 586 Cb 0.24 -1.50 -0.27 0.00 -1.51 0.00 0.00 72.50 69.46 3i04 s THR 586 CO 0.01 -0.90 0.51 -0.11 -2.21 0.00 0.00 174.62 171.92 3i04 n LEU 587 N 0.06 0.23 -0.00 9.08 7.94 -1.26 -4.56 117.00 128.50 3i04 n LEU 587 Ca -0.14 -0.14 0.09 0.00 -1.11 0.00 0.00 56.01 54.71 3i04 n LEU 587 Cb 0.61 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.45 3i04 n LEU 587 CO 0.27 0.06 -0.31 0.23 -1.11 0.00 0.00 177.39 176.53 3i04 n MET 588 N -1.95 0.96 -3.70 1.96 2.81 -1.26 -0.64 117.12 115.29 3i04 n MET 588 Ca -0.02 -0.07 -0.16 0.00 -1.81 0.00 0.00 57.70 55.65 3i04 n MET 588 Cb 0.43 -1.37 -0.16 0.00 -0.71 0.00 0.00 33.22 31.42 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 -2.89 0.02 -1.46 0.03 2.12 -1.26 -4.71 118.70 110.56 3i04 s GLU 589 Ca 0.01 0.44 -0.03 0.00 0.36 0.00 0.00 54.97 55.75 3i04 s GLU 589 Cb 0.13 -0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.24 3i04 s GLU 589 CO 0.73 -0.25 0.06 0.09 -0.54 0.00 0.00 175.26 175.34 3i04 n ASN 590 N 4.87 0.47 -4.74 -1.70 3.02 -1.26 -4.30 115.26 111.63 3i04 n ASN 590 Ca -0.13 -1.23 -0.31 0.00 -0.03 0.00 0.00 54.58 52.88 3i04 n ASN 590 Cb 0.50 -1.53 0.12 0.00 -0.61 0.00 0.00 39.78 38.26 3i04 n ASN 590 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i04 s PRO 591 N -7.24 1.81 0.66 3.52 0.04 -1.26 -1.22 135.00 131.31 3i04 s PRO 591 Ca 0.04 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 3i04 s PRO 591 Cb -0.02 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 3i04 s PRO 591 CO 0.96 -1.97 1.27 1.41 0.04 0.00 0.00 177.00 178.71 3i04 s MET 592 N -4.84 2.51 0.65 4.56 1.75 -1.26 -4.76 119.30 117.90 3i04 s MET 592 Ca 0.63 1.98 0.04 0.00 -1.25 0.00 0.00 55.69 57.09 3i04 s MET 592 Cb -0.19 -1.85 0.10 0.00 2.84 0.00 0.00 34.83 35.74 3i04 s MET 592 CO 0.57 -1.61 0.89 0.95 -0.65 0.00 0.00 175.02 175.17 3i04 s THR 593 N -1.53 2.18 0.08 10.11 -4.23 -1.26 -4.74 115.64 116.25 3i04 s THR 593 Ca 0.80 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 3i04 s THR 593 Cb -0.35 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 3i04 s THR 593 CO 0.40 0.00 -0.09 -0.44 -0.54 0.00 0.00 174.62 173.95 3i04 s SER 594 N -4.69 1.26 0.00 3.99 0.01 -1.26 -4.85 113.70 108.16 3i04 s SER 594 Ca 0.64 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.11 3i04 s SER 594 Cb -0.06 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3i04 s SER 594 CO 0.42 -0.29 0.00 0.00 0.41 0.00 0.00 173.24 173.78 3i04 n GLY 596 N 2.52 0.33 1.18 0.00 0.00 -1.26 -1.57 105.19 106.39 3i04 n GLY 596 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 1.42 1.20 0.18 0.00 1.16 -1.26 -4.38 117.46 115.78 3i04 n PHE 598 Ca 0.21 0.70 0.02 0.00 -1.87 0.00 0.00 57.45 56.51 3i04 n PHE 598 Cb 0.57 -2.25 0.32 0.00 -1.61 0.00 0.00 39.48 36.51 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 2.58 0.00 -3.46 3.97 5.08 -1.26 -3.44 114.58 118.05 3i04 h GLU 599 Ca -0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 3i04 h GLU 599 Cb 1.35 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.48 3i04 h GLU 599 CO 0.65 0.42 -0.08 0.00 -1.00 0.00 0.00 179.01 179.00 3i04 s ALA 600 N -4.04 -0.73 -0.02 3.43 0.00 -0.92 -1.48 121.76 118.01 3i04 s ALA 600 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3i04 s ALA 600 Cb 0.14 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.07 3i04 s ALA 600 CO 0.73 -0.71 0.01 0.42 0.00 0.00 0.00 175.76 176.21 3i04 s ILE 601 N -3.87 0.05 0.03 0.00 1.01 0.13 -1.59 121.20 116.95 3i04 s ILE 601 Ca 0.09 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 3i04 s ILE 601 Cb 0.01 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.29 3i04 s ILE 601 CO -0.05 0.09 0.36 -0.04 0.00 0.00 0.00 174.94 175.29 3i04 s MET 602 N 0.76 3.75 -0.04 2.79 -1.94 -0.31 -1.18 119.30 123.12 3i04 s MET 602 Ca -0.07 0.18 -0.01 0.00 -1.71 0.00 0.00 55.69 54.08 3i04 s MET 602 Cb -0.10 -3.09 0.03 0.00 2.01 0.00 0.00 34.83 33.68 3i04 s MET 602 CO -0.02 0.63 0.08 0.00 -0.01 0.00 0.00 175.02 175.70 3i04 s ALA 603 N -1.25 -0.08 0.73 3.03 0.00 -0.78 -1.54 121.76 121.87 3i04 s ALA 603 Ca 0.28 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 3i04 s ALA 603 Cb -0.14 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.71 3i04 s ALA 603 CO 0.15 -0.12 1.21 0.96 0.00 0.00 0.00 175.76 177.97 3i04 s ILE 604 N 0.98 2.27 -0.50 0.00 -5.25 0.20 -1.41 121.20 117.49 3i04 s ILE 604 Ca -0.08 0.13 0.04 0.00 -0.99 0.00 0.00 60.65 59.75 3i04 s ILE 604 Cb -0.11 -2.73 0.16 0.00 2.95 0.00 0.00 42.46 42.73 3i04 s ILE 604 CO -0.04 -0.07 0.37 -0.76 -1.79 0.00 0.00 174.94 172.65 3i04 s LEU 605 N -5.11 2.56 0.37 0.37 1.43 0.20 -4.80 118.68 113.70 3i04 s LEU 605 Ca 0.75 -3.20 0.09 0.00 -1.03 0.00 0.00 54.13 50.74 3i04 s LEU 605 Cb -0.30 -0.87 0.83 0.00 0.03 0.00 0.00 46.19 45.88 3i04 s LEU 605 CO 0.45 -0.16 1.92 -0.65 0.23 0.00 0.00 176.35 178.13 3i04 h PRO 606 N 5.78 0.65 0.00 1.29 0.11 -1.95 0.17 132.00 138.05 3i04 h PRO 606 Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3i04 h PRO 606 Cb 0.87 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3i04 h PRO 606 CO 0.48 0.43 0.00 1.49 -0.21 0.00 0.00 178.00 180.19 3i04 h GLU 607 N 0.67 0.00 -0.24 1.05 4.81 -1.95 -2.40 114.58 116.51 3i04 h GLU 607 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3i04 h GLU 607 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3i04 h GLU 607 CO -0.15 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.13 3i04 n ASN 609 N 0.90 -2.87 0.00 0.00 5.15 -0.90 -4.37 115.26 113.16 3i04 n ASN 609 Ca 0.12 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 3i04 n ASN 609 Cb 0.44 -2.46 0.00 0.00 -0.53 0.00 0.00 39.78 37.23 3i04 n ASN 609 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i04 n GLY 610 N -0.88 3.56 3.24 8.20 0.00 -1.19 -4.67 105.19 113.45 3i04 n GLY 610 Ca -0.04 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.84 1.32 0.32 -0.61 -4.36 0.88 0.58 121.20 117.49 3i04 s ILE 611 Ca 0.00 -1.73 0.08 0.00 -0.26 0.00 0.00 60.65 58.74 3i04 s ILE 611 Cb 0.00 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 3i04 s ILE 611 CO 0.00 -0.43 0.21 0.00 0.24 0.00 0.00 174.94 174.97 3i04 s MET 612 N -2.70 2.62 0.01 0.37 0.23 -0.50 -0.50 119.30 118.82 3i04 s MET 612 Ca 0.09 -1.34 0.03 0.00 -1.03 0.00 0.00 55.69 53.43 3i04 s MET 612 Cb -0.05 -2.38 -0.01 0.00 -1.53 0.00 0.00 34.83 30.87 3i04 s MET 612 CO 0.03 0.16 -0.08 0.42 -2.03 0.00 0.00 175.02 173.51 3i04 s ILE 613 N -2.32 0.66 0.20 3.16 1.01 0.07 -1.86 121.20 122.12 3i04 s ILE 613 Ca 0.38 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3i04 s ILE 613 Cb -0.05 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 3i04 s ILE 613 CO 0.25 0.06 0.07 0.28 0.00 0.00 0.00 174.94 175.60 3i04 s THR 614 N -0.45 0.42 0.24 2.92 -1.32 -0.33 -3.85 115.64 113.28 3i04 s THR 614 Ca 0.01 -1.98 0.05 0.00 -1.21 0.00 0.00 61.69 58.56 3i04 s THR 614 Cb -0.05 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.52 3i04 s THR 614 CO 0.00 -0.21 -0.04 0.42 -2.21 0.00 0.00 174.62 172.58 3i04 s THR 615 N -3.84 1.29 0.28 5.08 -4.23 -1.26 -0.69 115.64 112.27 3i04 s THR 615 Ca 0.32 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 3i04 s THR 615 Cb 0.07 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.83 3i04 s THR 615 CO 0.09 -0.37 1.93 -0.09 -0.54 0.00 0.00 174.62 175.64 3i04 h ARG 616 N 2.44 1.09 -0.00 3.99 2.43 -1.55 -1.54 114.38 121.23 3i04 h ARG 616 Ca -0.39 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3i04 h ARG 616 Cb 1.22 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3i04 h ARG 616 CO 0.65 0.76 -0.01 -0.25 -1.51 0.00 0.00 179.97 179.61 3i04 n ASP 617 N -4.38 0.05 -4.51 -3.80 8.00 -1.26 -4.70 116.55 105.95 3i04 n ASP 617 Ca 0.09 -0.25 -0.43 0.00 0.71 0.00 0.00 54.79 54.90 3i04 n ASP 617 Cb 0.06 -0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.52 3.09 -0.50 1.24 2.46 -0.58 -4.94 115.29 113.55 3i04 s HIS 618 Ca 0.30 -0.15 0.25 0.00 0.47 0.00 0.00 55.06 55.93 3i04 s HIS 618 Cb 0.20 -3.22 0.57 0.00 -0.13 0.00 0.00 32.58 30.00 3i04 s HIS 618 CO 0.46 -0.82 1.69 0.00 -2.47 0.00 0.00 174.74 173.59 3i04 h ALA 619 N 8.84 1.00 -2.39 1.58 0.00 -1.84 -3.40 119.26 123.04 3i04 h ALA 619 Ca -0.26 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.14 3i04 h ALA 619 Cb 1.10 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.01 3i04 h ALA 619 CO 0.87 0.00 0.34 0.20 0.00 0.00 0.00 179.25 180.66 3i04 s GLY 620 N -3.99 1.92 0.58 0.00 0.00 -1.26 -4.77 107.32 99.79 3i04 s GLY 620 Ca 0.08 0.43 -0.21 0.00 0.00 0.00 0.00 44.72 45.02 3i04 s GLY 620 CO 0.63 0.78 1.35 -0.29 0.00 0.00 0.00 173.10 175.58 3i04 s MET 621 N -4.49 2.96 0.29 2.90 1.75 -1.26 -4.36 119.30 117.09 3i04 s MET 621 Ca 0.64 2.21 0.09 0.00 -1.25 0.00 0.00 55.69 57.38 3i04 s MET 621 Cb -0.19 -2.14 -0.06 0.00 2.84 0.00 0.00 34.83 35.28 3i04 s MET 621 CO 0.49 -1.33 -0.10 0.95 -0.65 0.00 0.00 175.02 174.38 3i04 s THR 622 N -1.31 1.98 -0.40 10.11 -4.23 -1.15 -4.78 115.64 115.85 3i04 s THR 622 Ca 0.75 -2.20 0.21 0.00 -1.18 0.00 0.00 61.69 59.26 3i04 s THR 622 Cb -0.40 -2.46 0.21 0.00 1.34 0.00 0.00 72.50 71.20 3i04 s THR 622 CO 0.46 -0.31 1.64 -2.65 -0.54 0.00 0.00 174.62 173.22 3i04 n PRO 623 N -0.64 0.15 0.05 3.99 -0.02 -0.92 -1.50 135.00 136.12 3i04 n PRO 623 Ca -0.05 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 3i04 n PRO 623 Cb 0.63 -1.88 0.28 0.00 -0.02 0.00 0.00 33.50 32.51 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 -2.17 0.20 0.00 2.55 3.41 -1.26 -4.28 113.62 112.06 3i04 n SER 624 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3i04 n SER 624 Cb 0.12 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.73 0.76 3.26 5.00 0.00 -0.56 -5.05 105.19 107.88 3i04 n GLY 625 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.46 1.52 1.07 1.61 -1.94 -1.25 -4.91 119.30 114.94 3i04 s MET 626 Ca 0.00 -0.93 -0.15 0.00 -1.71 0.00 0.00 55.69 52.90 3i04 s MET 626 Cb 0.00 -1.61 0.22 0.00 2.01 0.00 0.00 34.83 35.45 3i04 s MET 626 CO 0.00 0.42 1.10 0.95 -0.01 0.00 0.00 175.02 177.48 3i04 s THR 627 N -0.74 1.88 0.20 2.05 -4.23 -1.26 -2.96 115.64 110.58 3i04 s THR 627 Ca 0.08 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.45 3i04 s THR 627 Cb -0.09 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.44 3i04 s THR 627 CO 0.01 0.00 1.64 0.15 -0.54 0.00 0.00 174.62 175.88 3i04 h PHE 628 N -2.12 -0.29 -0.21 3.99 3.57 -1.77 -1.18 116.94 118.93 3i04 h PHE 628 Ca -0.52 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.05 3i04 h PHE 628 Cb 1.32 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.26 3i04 h PHE 628 CO -0.47 -0.24 0.08 0.77 -2.23 0.00 0.00 178.31 176.21 3i04 h SER 629 N 0.00 0.09 -0.44 0.41 0.02 -1.92 0.33 113.55 112.04 3i04 h SER 629 Ca 0.28 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 3i04 h SER 629 Cb 0.42 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3i04 h SER 629 CO -0.59 0.08 0.13 0.74 -1.14 0.00 0.00 176.83 176.06 3i04 h THR 630 N 0.18 1.22 -0.33 -2.27 2.02 -1.79 -1.04 112.91 110.90 3i04 h THR 630 Ca 0.09 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3i04 h THR 630 Cb 0.05 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3i04 h THR 630 CO -0.09 0.27 0.21 0.25 0.37 0.00 0.00 175.52 176.52 3i04 h LEU 631 N 0.57 0.38 -0.85 2.58 5.85 -0.92 -2.28 115.31 120.64 3i04 h LEU 631 Ca 0.14 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.97 3i04 h LEU 631 Cb 0.27 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 3i04 h LEU 631 CO -0.00 0.29 0.46 0.00 -0.34 0.00 0.00 178.44 178.84 3i04 h ALA 632 N 1.11 1.27 -0.52 1.25 0.00 0.01 -1.45 119.26 120.92 3i04 h ALA 632 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3i04 h ALA 632 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i04 h ALA 632 CO -0.02 -0.03 0.29 0.78 0.00 0.00 0.00 179.25 180.26 3i04 h GLY 633 N 0.68 0.75 1.36 0.00 0.00 -0.62 -2.17 103.07 103.06 3i04 h GLY 633 Ca 0.45 -0.31 -0.22 0.00 0.00 0.00 0.00 47.33 47.25 3i04 h GLY 633 CO -0.33 0.30 -0.81 1.98 0.00 0.00 0.00 176.54 177.68 3i04 h MET 634 N 0.71 0.61 0.00 4.80 -1.53 -1.02 -3.36 114.93 115.14 3i04 h MET 634 Ca 0.19 -0.53 0.00 0.00 -3.44 0.00 0.00 59.70 55.91 3i04 h MET 634 Cb 0.00 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.17 3i04 h MET 634 CO -0.03 1.15 -1.03 0.44 0.14 0.00 0.00 176.91 177.58 3i04 n ILE 635 N -3.87 0.14 -2.43 1.77 -5.35 -0.63 -5.00 119.36 103.98 3i04 n ILE 635 Ca -0.07 -0.22 -0.25 0.00 -0.27 0.00 0.00 62.75 61.94 3i04 n ILE 635 Cb 0.76 0.27 0.14 0.00 -1.74 0.00 0.00 39.64 39.08 3i04 n ILE 635 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i04 s GLY 636 N -3.60 1.77 -0.89 3.28 0.00 -0.84 -4.07 107.32 102.98 3i04 s GLY 636 Ca 0.04 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.04 3i04 s GLY 636 CO 0.81 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 173.48 3i04 n GLY 637 N -3.15 1.00 0.85 0.20 0.00 -0.61 -4.27 105.19 99.20 3i04 n GLY 637 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.55 0.76 3.83 -0.02 0.00 -0.74 -4.53 105.19 102.94 3i04 n GLY 638 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.30 4.61 -0.01 2.61 -4.23 -1.26 -4.89 115.64 110.17 3i04 s THR 639 Ca 0.00 1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 61.33 3i04 s THR 639 Cb 0.00 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 3i04 s THR 639 CO 0.00 -0.05 0.99 -1.58 -0.54 0.00 0.00 174.62 173.44 3i04 s GLN 640 N -2.62 4.54 -0.55 3.99 0.74 -1.26 -4.60 119.66 119.90 3i04 s GLN 640 Ca 0.51 1.42 0.04 0.00 0.05 0.00 0.00 55.36 57.38 3i04 s GLN 640 Cb -0.13 -3.47 0.16 0.00 1.10 0.00 0.00 33.01 30.68 3i04 s GLN 640 CO 0.19 -0.09 0.39 0.95 -0.55 0.00 0.00 175.29 176.18 3i04 s THR 641 N 1.15 1.75 -0.00 -0.34 -4.23 -1.26 -5.06 115.64 107.65 3i04 s THR 641 Ca 0.52 -3.41 -0.38 0.00 -1.18 0.00 0.00 61.69 57.24 3i04 s THR 641 Cb -0.21 -2.18 -0.17 0.00 1.34 0.00 0.00 72.50 71.29 3i04 s THR 641 CO 0.27 -1.06 1.41 -2.65 -0.54 0.00 0.00 174.62 172.04 3i04 n PRO 642 N 2.56 1.04 -0.01 3.99 -0.02 -1.26 -2.08 135.00 139.23 3i04 n PRO 642 Ca 0.21 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3i04 n PRO 642 Cb 0.39 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.80 0.18 3.04 -1.23 0.00 0.19 -4.99 105.19 105.18 3i04 n GLY 643 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.04 -0.40 -0.13 1.61 0.40 -0.88 0.58 117.98 117.11 3i04 s PHE 644 Ca 0.00 0.92 -0.13 0.00 -0.60 0.00 0.00 56.93 57.12 3i04 s PHE 644 Cb 0.00 0.01 0.04 0.00 0.51 0.00 0.00 43.02 43.58 3i04 s PHE 644 CO 0.00 -0.31 0.38 1.41 0.70 0.00 0.00 175.22 177.40 3i04 s MET 645 N 1.93 0.47 0.02 0.44 1.75 -0.59 -4.59 119.30 118.72 3i04 s MET 645 Ca -0.03 0.46 -0.17 0.00 -1.25 0.00 0.00 55.69 54.70 3i04 s MET 645 Cb -0.11 0.23 -0.06 0.00 2.84 0.00 0.00 34.83 37.72 3i04 s MET 645 CO -0.09 -0.07 0.48 0.20 -0.65 0.00 0.00 175.02 174.90 3i04 s GLY 646 N 0.06 2.55 0.05 2.11 0.00 -1.26 -1.16 107.32 109.66 3i04 s GLY 646 Ca -0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 3i04 s GLY 646 CO 0.01 0.33 0.26 -0.26 0.00 0.00 0.00 173.10 173.44 3i04 s ILE 647 N -0.93 0.10 0.42 0.90 -4.36 -0.62 -4.84 121.20 111.86 3i04 s ILE 647 Ca 0.26 -0.79 -0.23 0.00 -0.26 0.00 0.00 60.65 59.63 3i04 s ILE 647 Cb -0.18 -0.97 -0.09 0.00 1.25 0.00 0.00 42.46 42.47 3i04 s ILE 647 CO 0.15 -0.44 1.01 -0.83 0.24 0.00 0.00 174.94 175.08 3i04 s GLY 648 N -2.16 2.61 0.31 6.27 0.00 -1.13 -2.16 107.32 111.07 3i04 s GLY 648 Ca -0.04 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.29 3i04 s GLY 648 CO -0.04 0.96 1.92 3.21 0.00 0.00 0.00 173.10 179.15 3i04 h ARG 649 N 2.20 0.95 0.00 2.90 3.08 -1.91 -1.57 114.38 120.02 3i04 h ARG 649 Ca -0.49 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3i04 h ARG 649 Cb 1.21 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3i04 h ARG 649 CO 0.61 0.63 0.00 1.79 -1.07 0.00 0.00 179.97 181.93 3i04 h THR 650 N 0.98 0.00 0.00 2.04 1.35 -1.97 -1.30 112.91 114.01 3i04 h THR 650 Ca 0.37 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 66.06 3i04 h THR 650 Cb 0.20 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3i04 h THR 650 CO -0.13 0.00 -0.10 0.22 -0.25 0.00 0.00 175.52 175.25 3i04 h TYR 651 N 0.00 0.00 0.00 4.73 3.20 -1.65 -2.12 116.97 121.14 3i04 h TYR 651 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3i04 h TYR 651 Cb 0.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3i04 h TYR 651 CO 0.00 0.10 -0.07 0.82 -1.64 0.00 0.00 178.16 177.37 3i04 h ILE 652 N 0.00 0.87 -0.50 1.81 2.04 -1.39 -1.77 117.51 118.57 3i04 h ILE 652 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3i04 h ILE 652 Cb 0.18 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3i04 h ILE 652 CO 0.01 0.07 0.00 1.33 0.00 0.00 0.00 178.15 179.56 3i04 n VAL 653 N -4.19 1.80 -2.87 1.67 0.24 -0.80 -4.89 118.33 109.28 3i04 n VAL 653 Ca -0.03 -1.32 -0.38 0.00 -2.04 0.00 0.00 64.34 60.58 3i04 n VAL 653 Cb 0.16 0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.15 7.34 0.51 -1.34 0.15 -0.66 -4.96 113.70 113.59 3i04 s SER 654 Ca 0.44 1.74 0.21 0.00 0.70 0.00 0.00 55.95 59.04 3i04 s SER 654 Cb 0.29 -2.54 1.29 0.00 -1.71 0.00 0.00 66.02 63.35 3i04 s SER 654 CO 0.19 0.03 2.03 0.11 1.20 0.00 0.00 173.24 176.80 3i04 h LYS 655 N 3.54 0.08 -0.01 5.44 1.57 -1.87 -2.01 116.57 123.30 3i04 h LYS 655 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3i04 h LYS 655 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3i04 h LYS 655 CO 0.66 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 181.22 3i04 n LYS 656 N -4.44 1.15 -1.52 3.15 4.76 -1.26 -4.71 118.16 115.29 3i04 n LYS 656 Ca 0.06 -0.22 -0.41 0.00 -2.87 0.00 0.00 58.31 54.88 3i04 n LYS 656 Cb 0.43 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 32.11 3i04 n LYS 656 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i04 n PHE 657 N -0.69 1.29 -3.61 2.13 -0.00 -0.76 -1.83 117.46 113.99 3i04 n PHE 657 Ca 0.21 0.20 -0.20 0.00 -0.00 0.00 0.00 57.45 57.66 3i04 n PHE 657 Cb 0.15 -2.56 -0.04 0.00 -0.00 0.00 0.00 39.48 37.03 3i04 n PHE 657 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 3i04 n ILE 658 N 7.71 -0.76 0.24 -2.13 -5.35 -1.26 -3.83 119.36 113.97 3i04 n ILE 658 Ca 0.44 -0.29 0.08 0.00 -0.27 0.00 0.00 62.75 62.71 3i04 n ILE 658 Cb 0.35 -0.71 0.59 0.00 -1.74 0.00 0.00 39.64 38.13 3i04 n ILE 658 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3i04 h SER 659 N -0.47 0.00 0.73 7.28 4.64 -1.12 0.88 113.55 125.49 3i04 h SER 659 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3i04 h SER 659 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3i04 h SER 659 CO 0.37 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.48 3i04 h ALA 660 N 1.86 1.00 -0.03 5.18 0.00 -1.46 -3.20 119.26 122.61 3i04 h ALA 660 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i04 h ALA 660 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i04 h ALA 660 CO 0.02 0.00 -0.02 -0.25 0.00 0.00 0.00 179.25 179.00 3i04 n ASP 661 N -2.72 2.72 0.00 0.00 8.00 0.28 -4.95 116.55 119.88 3i04 n ASP 661 Ca 0.01 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.65 3i04 n ASP 661 Cb 0.23 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.20 1.16 7.00 0.44 0.00 -1.18 -4.91 105.19 108.90 3i04 n GLY 662 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.09 0.58 0.30 -0.02 0.00 -1.06 -3.67 105.19 101.22 3i04 n GLY 663 Ca 0.00 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 0.43 0.00 -0.61 3.07 -1.91 -1.38 117.51 117.11 3i04 h ILE 664 Ca 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 3i04 h ILE 664 Cb 0.00 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 3i04 h ILE 664 CO 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 178.15 177.12 3i04 h ALA 665 N 1.97 1.00 0.00 0.16 0.00 -1.97 -1.11 119.26 119.31 3i04 h ALA 665 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i04 h ALA 665 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i04 h ALA 665 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3i04 n ARG 666 N -2.98 0.24 -2.24 0.00 5.12 -0.52 -3.56 116.66 112.73 3i04 n ARG 666 Ca -0.03 0.31 -0.43 0.00 -1.93 0.00 0.00 57.85 55.77 3i04 n ARG 666 Cb 0.08 -1.85 -0.02 0.00 -1.16 0.00 0.00 32.46 29.50 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 -3.20 3.81 -0.82 0.55 1.01 -0.42 -0.08 121.20 122.05 3i04 s ILE 667 Ca 0.08 0.87 0.17 0.00 0.00 0.00 0.00 60.65 61.77 3i04 s ILE 667 Cb 0.11 -3.97 -0.19 0.00 0.01 0.00 0.00 42.46 38.42 3i04 s ILE 667 CO 0.52 -0.53 0.74 1.33 0.00 0.00 0.00 174.94 177.00 3i04 n VAL 668 N 6.83 0.00 -3.65 2.92 0.24 0.35 -4.78 118.33 120.24 3i04 n VAL 668 Ca 0.18 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.30 3i04 n VAL 668 Cb 0.47 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 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 -2.64 -0.94 -0.01 6.34 -0.00 -1.23 -1.36 118.94 119.09 3i04 s TRP 669 Ca 0.07 1.97 -0.12 0.00 -0.00 0.00 0.00 56.10 58.01 3i04 s TRP 669 Cb 0.13 0.51 0.02 0.00 -0.00 0.00 0.00 33.47 34.13 3i04 s TRP 669 CO 0.71 -0.47 0.26 -1.64 -0.00 0.00 0.00 176.95 175.81 3i04 s MET 670 N 1.34 0.60 0.61 5.86 -1.94 -0.90 -0.75 119.30 124.13 3i04 s MET 670 Ca -0.08 -0.23 -0.18 0.00 -1.71 0.00 0.00 55.69 53.50 3i04 s MET 670 Cb -0.05 0.26 -0.03 0.00 2.01 0.00 0.00 34.83 37.02 3i04 s MET 670 CO -0.15 -0.16 1.16 -2.14 -0.01 0.00 0.00 175.02 173.73 3i04 s PRO 671 N -1.28 2.97 0.46 2.03 0.02 -1.25 -4.13 135.00 133.82 3i04 s PRO 671 Ca -0.13 1.66 0.13 0.00 0.02 0.00 0.00 61.00 62.68 3i04 s PRO 671 Cb -0.06 -1.95 1.08 0.00 0.02 0.00 0.00 34.50 33.60 3i04 s PRO 671 CO 0.03 -1.17 2.06 -0.22 -0.33 0.00 0.00 177.00 177.38 3i04 h LYS 672 N 0.68 0.28 -0.20 5.54 3.64 -1.94 -1.43 116.57 123.14 3i04 h LYS 672 Ca -0.49 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 3i04 h LYS 672 Cb 1.28 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3i04 h LYS 672 CO 0.55 0.19 -0.12 0.66 -2.27 0.00 0.00 179.45 178.46 3i04 h SER 673 N 0.29 0.31 -0.16 4.20 4.64 -2.00 -1.49 113.55 119.34 3i04 h SER 673 Ca 0.14 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 3i04 h SER 673 Cb 0.21 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3i04 h SER 673 CO -0.03 0.46 -0.54 0.25 -0.87 0.00 0.00 176.83 176.10 3i04 h LEU 674 N 0.30 0.76 -0.53 5.97 6.46 -1.64 -0.69 115.31 125.94 3i04 h LEU 674 Ca 0.06 -0.60 0.11 0.00 -0.12 0.00 0.00 57.88 57.33 3i04 h LEU 674 Cb 0.40 -0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.02 3i04 h LEU 674 CO 0.02 1.23 -0.02 0.11 -0.62 0.00 0.00 178.44 179.16 3i04 h LYS 675 N 0.33 0.10 -0.06 1.25 1.57 -1.18 -0.46 116.57 118.10 3i04 h LYS 675 Ca -0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i04 h LYS 675 Cb 1.17 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 3i04 h LYS 675 CO 0.11 0.06 0.00 -0.44 -0.57 0.00 0.00 179.45 178.62 3i04 h ASP 676 N 0.10 0.11 -1.00 0.86 3.32 -1.21 0.10 116.42 118.69 3i04 h ASP 676 Ca 0.27 -0.29 0.22 0.00 0.02 0.00 0.00 57.03 57.25 3i04 h ASP 676 Cb 0.42 -0.03 -0.11 0.00 0.22 0.00 0.00 39.33 39.83 3i04 h ASP 676 CO -0.46 0.37 0.61 0.15 -1.72 0.00 0.00 179.24 178.19 3i04 h PHE 677 N -0.17 0.97 -0.01 4.55 3.57 -0.98 -2.97 116.94 121.90 3i04 h PHE 677 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3i04 h PHE 677 Cb 0.32 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3i04 h PHE 677 CO 0.03 0.15 -0.58 1.28 -2.23 0.00 0.00 178.31 176.95 3i04 n LEU 678 N -4.77 1.54 -0.16 0.59 4.77 -0.19 -4.83 117.00 113.95 3i04 n LEU 678 Ca 0.25 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 3i04 n LEU 678 Cb 0.68 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 3i04 n LEU 678 CO 0.21 0.31 0.55 -0.74 -1.33 0.00 0.00 177.39 176.38 3i04 h HIS 679 N 1.50 -1.40 -0.13 -1.77 2.76 -0.64 0.73 115.15 116.21 3i04 h HIS 679 Ca 0.00 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3i04 h HIS 679 Cb 0.64 0.68 -0.00 0.00 1.55 0.00 0.00 27.41 30.27 3i04 h HIS 679 CO 0.00 -0.45 0.01 -0.44 -1.30 0.00 0.00 177.93 175.75 3i04 h ASP 680 N -0.31 0.22 0.66 3.26 3.32 -1.86 0.71 116.42 122.42 3i04 h ASP 680 Ca 0.13 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 3i04 h ASP 680 Cb 0.58 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3i04 h ASP 680 CO -0.62 0.46 -0.54 -0.33 -1.72 0.00 0.00 179.24 176.48 3i04 h GLU 681 N -0.03 0.00 -0.27 3.56 5.08 -1.85 -1.55 114.58 119.51 3i04 h GLU 681 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3i04 h GLU 681 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3i04 h GLU 681 CO 0.01 0.54 -0.14 0.35 -1.00 0.00 0.00 179.01 178.77 3i04 h PHE 682 N 0.00 0.66 -0.66 4.33 3.57 -0.28 0.26 116.94 124.82 3i04 h PHE 682 Ca -0.01 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.36 3i04 h PHE 682 Cb 1.02 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 3i04 h PHE 682 CO 0.00 0.82 0.41 0.28 -2.23 0.00 0.00 178.31 177.59 3i04 h VAL 683 N 0.31 1.08 -0.38 1.41 2.07 -0.76 -0.45 116.25 119.52 3i04 h VAL 683 Ca 0.06 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3i04 h VAL 683 Cb 0.65 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3i04 h VAL 683 CO 0.04 0.15 0.23 -0.09 0.02 0.00 0.00 177.57 177.91 3i04 h ARG 684 N 0.80 0.52 -0.32 1.57 2.43 -0.98 -2.31 114.38 116.09 3i04 h ARG 684 Ca 0.27 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3i04 h ARG 684 Cb 0.03 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3i04 h ARG 684 CO -0.11 0.40 0.06 0.00 -1.51 0.00 0.00 179.97 178.81 3i04 h ARG 685 N 0.50 0.46 -0.38 0.20 2.47 -0.74 -2.35 114.38 114.54 3i04 h ARG 685 Ca 0.14 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 3i04 h ARG 685 Cb 0.01 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 3i04 h ARG 685 CO -0.03 0.44 0.09 0.77 0.56 0.00 0.00 179.97 181.81 3i04 h SER 686 N 0.45 0.58 0.27 7.04 0.02 -0.62 -2.22 113.55 119.08 3i04 h SER 686 Ca 0.11 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3i04 h SER 686 Cb 0.20 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3i04 h SER 686 CO -0.00 0.66 -0.20 0.58 -1.14 0.00 0.00 176.83 176.73 3i04 h VAL 687 N 0.47 0.57 -0.97 2.27 2.07 -1.18 0.15 116.25 119.63 3i04 h VAL 687 Ca 0.12 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.87 3i04 h VAL 687 Cb 0.31 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 3i04 h VAL 687 CO 0.00 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.89 3i04 h GLU 688 N -0.48 0.43 -0.01 1.57 5.08 -1.33 0.32 114.58 120.16 3i04 h GLU 688 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i04 h GLU 688 Cb 0.42 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3i04 h GLU 688 CO -0.00 0.28 -0.03 0.39 -1.00 0.00 0.00 179.01 178.64 3i04 n GLU 689 N -4.57 1.25 -1.57 2.33 -0.58 -0.84 -4.90 120.64 111.76 3i04 n GLU 689 Ca 0.22 -0.53 -0.03 0.00 -0.42 0.00 0.00 57.16 56.41 3i04 n GLU 689 Cb 0.76 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.13 3i04 n GLU 689 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i04 n GLY 690 N 1.15 0.42 0.06 0.62 0.00 0.10 -4.92 105.19 102.62 3i04 n GLY 690 Ca 0.19 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3i04 n GLY 690 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i04 n LEU 691 N -0.33 1.00 0.00 0.99 4.77 0.48 -5.02 117.00 118.90 3i04 n LEU 691 Ca -0.03 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3i04 n LEU 691 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3i04 n LEU 691 CO 0.04 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3i04 n GLY 692 N 1.42 -0.14 0.39 -0.72 0.00 -1.19 -4.26 105.19 100.69 3i04 n GLY 692 Ca 0.04 -1.49 0.18 0.00 0.00 0.00 0.00 46.02 44.75 3i04 n GLY 692 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i04 h GLU 693 N 0.00 0.39 -0.56 1.61 4.81 -1.86 -1.81 114.58 117.16 3i04 h GLU 693 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i04 h GLU 693 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3i04 h GLU 693 CO 0.00 0.26 0.00 -0.40 -0.73 0.00 0.00 179.01 178.14 3i04 n ASP 694 N -4.49 2.83 -0.23 1.04 5.75 -1.26 -4.38 116.55 115.81 3i04 n ASP 694 Ca 0.17 -2.21 0.01 0.00 -0.01 0.00 0.00 54.79 52.75 3i04 n ASP 694 Cb 0.64 -0.41 0.12 0.00 -1.03 0.00 0.00 41.12 40.44 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 2.40 0.54 -1.26 2.11 3.57 -1.50 -1.17 116.94 121.63 3i04 h PHE 695 Ca 0.00 0.03 0.37 0.00 3.53 0.00 0.00 57.97 61.90 3i04 h PHE 695 Cb 0.87 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 3i04 h PHE 695 CO 0.42 0.18 0.85 0.97 -2.23 0.00 0.00 178.31 178.51 3i04 h ILE 696 N 0.53 0.31 0.00 1.41 2.10 -1.84 0.12 117.51 120.15 3i04 h ILE 696 Ca 0.33 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 66.22 3i04 h ILE 696 Cb 0.36 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.24 3i04 h ILE 696 CO -0.27 0.03 -0.14 0.47 -1.08 0.00 0.00 178.15 177.16 3i04 n ASP 697 N -4.46 0.49 0.08 2.19 8.00 -0.44 -3.05 116.55 119.35 3i04 n ASP 697 Ca 0.31 0.41 0.12 0.00 0.71 0.00 0.00 54.79 56.34 3i04 n ASP 697 Cb 1.26 -0.46 0.29 0.00 -0.02 0.00 0.00 41.12 42.19 3i04 n ASP 697 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i04 n LYS 698 N -1.90 0.27 -2.70 -1.24 5.02 0.42 -4.81 118.16 113.22 3i04 n LYS 698 Ca 0.06 0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 3i04 n LYS 698 Cb 0.39 -1.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 3i04 n LYS 698 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i04 s ILE 699 N -3.13 4.79 0.95 -0.18 1.01 -1.17 -4.75 121.20 118.72 3i04 s ILE 699 Ca 0.08 2.02 -0.12 0.00 0.00 0.00 0.00 60.65 62.64 3i04 s ILE 699 Cb 0.13 -4.30 0.16 0.00 0.01 0.00 0.00 42.46 38.46 3i04 s ILE 699 CO 0.66 0.01 1.09 0.00 0.00 0.00 0.00 174.94 176.70 3i04 s ALA 700 N 1.97 1.18 0.15 9.38 0.00 -0.46 -4.88 121.76 129.10 3i04 s ALA 700 Ca 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 3i04 s ALA 700 Cb -0.18 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.75 3i04 s ALA 700 CO 0.18 -2.66 0.24 -0.40 0.00 0.00 0.00 175.76 173.12 3i04 n ASP 701 N -4.09 -0.67 0.28 0.00 5.68 -1.26 -2.11 116.55 114.39 3i04 n ASP 701 Ca 0.06 -1.78 0.15 0.00 -0.50 0.00 0.00 54.79 52.72 3i04 n ASP 701 Cb 0.55 1.20 0.84 0.00 -1.14 0.00 0.00 41.12 42.58 3i04 n ASP 701 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i04 h GLU 702 N 0.00 0.00 0.00 0.11 3.07 -1.76 -0.85 114.58 115.14 3i04 h GLU 702 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3i04 h GLU 702 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3i04 h GLU 702 CO 0.16 0.06 0.00 0.25 -1.40 0.00 0.00 179.01 178.09 3i04 n THR 703 N -3.65 0.80 -0.13 1.13 -2.24 -1.26 -3.38 114.28 105.56 3i04 n THR 703 Ca -0.02 0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.73 3i04 n THR 703 Cb 0.17 -1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 67.26 3i04 n THR 703 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 n ILE 704 N -2.05 1.44 0.00 2.28 0.13 -0.37 -5.10 119.36 115.69 3i04 n ILE 704 Ca 0.03 -0.52 0.00 0.00 -1.10 0.00 0.00 62.75 61.16 3i04 n ILE 704 Cb 0.25 -1.46 0.00 0.00 -0.84 0.00 0.00 39.64 37.59 3i04 n ILE 704 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i04 n GLY 705 N 2.15 0.14 0.00 4.50 0.00 -0.94 -4.75 105.19 106.30 3i04 n GLY 705 Ca -0.46 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.35 0.30 -4.29 2.61 -2.24 -1.26 -4.14 114.28 104.91 3i04 n THR 706 Ca 0.00 -0.37 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 3i04 n THR 706 Cb 0.00 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.30 1.35 0.17 4.28 -4.23 -1.26 -2.15 115.64 113.49 3i04 s THR 707 Ca 0.00 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.25 3i04 s THR 707 Cb 0.00 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.92 3i04 s THR 707 CO 0.00 -0.66 1.79 0.58 -0.54 0.00 0.00 174.62 175.80 3i04 h VAL 708 N 2.67 1.01 0.00 2.29 2.07 -1.93 -1.69 116.25 120.67 3i04 h VAL 708 Ca -0.37 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3i04 h VAL 708 Cb 1.20 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3i04 h VAL 708 CO 0.63 0.09 -0.11 0.44 0.02 0.00 0.00 177.57 178.64 3i04 h ASP 709 N 0.48 0.00 0.35 0.57 3.32 -1.97 0.14 116.42 119.30 3i04 h ASP 709 Ca 0.18 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.98 3i04 h ASP 709 Cb 0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.61 3i04 h ASP 709 CO -0.11 0.11 -1.06 -0.33 -1.72 0.00 0.00 179.24 176.13 3i04 h GLU 710 N 0.00 0.43 0.00 3.56 5.08 -1.86 -3.38 114.58 118.41 3i04 h GLU 710 Ca -0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3i04 h GLU 710 Cb 0.20 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3i04 h GLU 710 CO 0.01 1.19 -1.56 0.44 -1.00 0.00 0.00 179.01 178.10 3i04 n ILE 711 N -3.71 0.17 -0.12 3.13 -5.35 -0.66 -4.52 119.36 108.28 3i04 n ILE 711 Ca -0.08 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 61.86 3i04 n ILE 711 Cb 0.90 0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.81 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 0.00 0.58 -0.83 7.28 5.85 -0.94 -1.28 115.31 125.97 3i04 h LEU 712 Ca 0.00 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.57 3i04 h LEU 712 Cb 0.92 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3i04 h LEU 712 CO 0.00 0.69 0.46 -0.65 -0.34 0.00 0.00 178.44 178.60 3i04 h PRO 713 N 0.44 0.73 -0.58 5.25 0.11 -1.80 0.17 132.00 136.32 3i04 h PRO 713 Ca 0.11 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3i04 h PRO 713 Cb 0.36 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 3i04 h PRO 713 CO 0.01 0.48 0.30 -0.92 -0.21 0.00 0.00 178.00 177.66 3i04 h TYR 714 N 0.75 0.82 -0.56 0.65 3.20 -1.71 0.15 116.97 120.28 3i04 h TYR 714 Ca 0.41 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 3i04 h TYR 714 Cb 0.43 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3i04 h TYR 714 CO -0.07 0.61 0.32 -0.07 -1.64 0.00 0.00 178.16 177.31 3i04 h LEU 715 N 0.79 0.68 -0.10 2.82 3.38 -0.72 0.55 115.31 122.72 3i04 h LEU 715 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i04 h LEU 715 Cb 0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i04 h LEU 715 CO -0.03 0.56 0.03 -0.33 0.09 0.00 0.00 178.44 178.77 3i04 h GLU 716 N 0.75 0.16 -0.97 1.13 5.08 -0.57 -1.28 114.58 118.88 3i04 h GLU 716 Ca 0.20 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3i04 h GLU 716 Cb 0.02 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3i04 h GLU 716 CO -0.03 0.29 0.64 1.49 -1.00 0.00 0.00 179.01 180.40 3i04 h GLU 717 N -0.01 1.26 0.00 2.33 4.81 -0.58 -2.02 114.58 120.37 3i04 h GLU 717 Ca 0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i04 h GLU 717 Cb 0.20 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3i04 h GLU 717 CO -0.00 0.83 0.00 1.63 -0.73 0.00 0.00 179.01 180.74 3i04 n LYS 718 N -4.39 0.76 -3.54 1.92 4.76 0.17 -4.92 118.16 112.92 3i04 n LYS 718 Ca 0.12 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.36 3i04 n LYS 718 Cb 0.03 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.79 3i04 n LYS 718 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i04 n GLY 719 N 1.02 -0.39 3.72 0.72 0.00 -0.76 -4.92 105.19 104.58 3i04 n GLY 719 Ca 0.20 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.41 3.08 0.50 1.61 2.46 -0.51 -4.91 115.29 114.11 3i04 s HIS 720 Ca 0.14 0.70 0.28 0.00 0.47 0.00 0.00 55.06 56.66 3i04 s HIS 720 Cb -0.07 -3.86 1.63 0.00 -0.13 0.00 0.00 32.58 30.16 3i04 s HIS 720 CO 0.75 -3.14 2.16 -1.00 -2.47 0.00 0.00 174.74 171.04 3i04 h PRO 721 N 6.89 0.00 -0.47 2.88 0.13 -1.91 -2.78 132.00 136.73 3i04 h PRO 721 Ca -0.42 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.78 3i04 h PRO 721 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3i04 h PRO 721 CO 0.90 0.06 0.32 0.00 -0.23 0.00 0.00 178.00 179.05 3i04 h ALA 722 N 1.94 1.99 0.00 -0.56 0.00 -1.89 -2.80 119.26 117.95 3i04 h ALA 722 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 722 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i04 h ALA 722 CO 0.01 -0.08 -0.15 -0.07 0.00 0.00 0.00 179.25 178.96 3i04 h LEU 723 N 0.35 0.00 -1.42 0.00 3.38 -1.69 -2.64 115.31 113.29 3i04 h LEU 723 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i04 h LEU 723 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3i04 h LEU 723 CO -0.05 0.15 0.00 0.35 0.09 0.00 0.00 178.44 178.98 3i04 n THR 724 N -3.84 0.12 -0.78 0.22 -2.24 -1.14 -4.95 114.28 101.67 3i04 n THR 724 Ca -0.02 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 3i04 n THR 724 Cb 0.25 1.03 0.19 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.50 0.40 0.64 -0.78 -1.94 -1.00 -4.99 119.30 111.12 3i04 s MET 725 Ca 0.07 1.10 -0.18 0.00 -1.71 0.00 0.00 55.69 54.97 3i04 s MET 725 Cb 0.04 -1.69 -0.02 0.00 2.01 0.00 0.00 34.83 35.18 3i04 s MET 725 CO 0.07 -2.91 1.20 -0.25 -0.01 0.00 0.00 175.02 173.11 3i04 n ASP 726 N -4.38 1.70 -4.69 3.03 8.00 -1.26 -4.87 116.55 114.08 3i04 n ASP 726 Ca 0.07 0.82 -0.44 0.00 0.71 0.00 0.00 54.79 55.96 3i04 n ASP 726 Cb 0.54 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.10 3i04 n ASP 726 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3i04 n PRO 727 N -1.64 2.22 0.05 -0.24 -0.02 -1.26 -4.89 135.00 129.22 3i04 n PRO 727 Ca 0.15 0.79 -0.11 0.00 -2.02 0.00 0.00 63.50 62.31 3i04 n PRO 727 Cb 0.48 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 3i04 n PRO 727 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3i04 h ILE 728 N 3.16 1.41 0.00 4.25 2.10 -1.89 -3.53 117.51 123.00 3i04 h ILE 728 Ca -0.45 -3.10 0.00 0.00 1.08 0.00 0.00 64.86 62.38 3i04 h ILE 728 Cb 1.26 2.77 0.00 0.00 -1.09 0.00 0.00 36.82 39.76 3i04 h ILE 728 CO 0.77 0.85 0.00 0.23 -1.08 0.00 0.00 178.15 178.92