#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iul h GLU 41 N 0.00 0.36 -0.00 -1.24 4.57 -1.99 0.38 114.58 116.65 2iul h GLU 41 Ca 0.00 -0.15 -0.18 0.00 -1.18 0.00 0.00 59.36 57.85 2iul h GLU 41 Cb 0.00 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2iul h GLU 41 CO 0.00 0.65 -0.70 0.00 -1.18 0.00 0.00 179.01 177.79 2iul h ALA 42 N 1.34 0.09 -0.75 2.92 0.00 -2.05 -2.84 119.26 117.97 2iul h ALA 42 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2iul h ALA 42 Cb 0.75 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2iul h ALA 42 CO 0.06 0.43 0.37 0.93 0.00 0.00 0.00 179.25 181.03 2iul h GLU 43 N 0.01 1.07 -0.19 0.00 5.08 -1.95 -2.45 114.58 116.15 2iul h GLU 43 Ca -0.09 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2iul h GLU 43 Cb 1.40 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2iul h GLU 43 CO 0.14 0.82 0.07 0.00 -1.00 0.00 0.00 179.01 179.04 2iul h ALA 44 N 1.34 0.25 -0.23 3.43 0.00 -0.96 -0.19 119.26 122.90 2iul h ALA 44 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2iul h ALA 44 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2iul h ALA 44 CO -0.03 -0.15 0.14 1.03 0.00 0.00 0.00 179.25 180.23 2iul h SER 45 N 0.15 0.23 -0.49 0.00 0.87 -1.44 -1.71 113.55 111.16 2iul h SER 45 Ca 0.06 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2iul h SER 45 Cb 0.19 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2iul h SER 45 CO -0.00 0.17 0.23 0.50 -0.53 0.00 0.00 176.83 177.20 2iul h LYS 46 N 0.29 0.71 -0.38 2.24 3.64 -1.37 -1.76 116.57 119.94 2iul h LYS 46 Ca 0.09 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2iul h LYS 46 Cb -0.02 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 2iul h LYS 46 CO -0.03 0.60 0.01 0.35 -2.27 0.00 0.00 179.45 178.11 2iul h PHE 47 N 0.65 0.00 -0.71 1.91 3.57 -0.84 -0.84 116.94 120.68 2iul h PHE 47 Ca 0.17 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2iul h PHE 47 Cb 0.12 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2iul h PHE 47 CO -0.01 -0.06 0.34 0.28 -2.23 0.00 0.00 178.31 176.64 2iul h VAL 48 N 0.12 1.23 -0.42 1.41 2.07 -1.08 0.23 116.25 119.81 2iul h VAL 48 Ca 0.18 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2iul h VAL 48 Cb 0.25 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2iul h VAL 48 CO -0.30 0.27 0.26 -0.33 0.02 0.00 0.00 177.57 177.49 2iul h GLU 49 N 0.99 0.56 -0.28 1.57 5.08 -0.98 -0.59 114.58 120.93 2iul h GLU 49 Ca 0.24 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2iul h GLU 49 Cb 0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2iul h GLU 49 CO -0.03 0.41 -0.05 0.93 -1.00 0.00 0.00 179.01 179.26 2iul h GLU 50 N 0.55 0.53 -0.43 2.33 5.08 -0.78 -2.41 114.58 119.45 2iul h GLU 50 Ca 0.15 -0.20 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2iul h GLU 50 Cb -0.01 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 2iul h GLU 50 CO -0.03 0.72 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.75 2iul h TYR 51 N 0.29 -0.08 -0.33 4.33 3.20 -0.46 -2.26 116.97 121.66 2iul h TYR 51 Ca 0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2iul h TYR 51 Cb 0.52 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2iul h TYR 51 CO 0.05 -0.12 0.08 0.22 -1.64 0.00 0.00 178.16 176.75 2iul h ASP 52 N 0.08 0.50 -0.20 -2.11 3.58 -0.92 0.24 116.42 117.59 2iul h ASP 52 Ca 0.21 -0.23 -0.15 0.00 0.42 0.00 0.00 57.03 57.27 2iul h ASP 52 Cb 0.31 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2iul h ASP 52 CO -0.38 0.60 -0.43 0.08 -2.88 0.00 0.00 179.24 176.23 2iul h ARG 53 N 0.37 0.75 -0.30 0.28 0.11 -1.38 -2.08 114.38 112.13 2iul h ARG 53 Ca 0.10 -0.41 -0.15 0.00 0.10 0.00 0.00 59.98 59.62 2iul h ARG 53 Cb 0.30 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 2iul h ARG 53 CO 0.00 1.03 -0.41 1.79 0.10 0.00 0.00 179.97 182.48 2iul h THR 54 N 0.60 1.29 -0.89 0.08 1.35 -1.33 -3.20 112.91 110.81 2iul h THR 54 Ca 0.04 -1.60 0.01 0.00 -0.55 0.00 0.00 66.41 64.31 2iul h THR 54 Cb 0.99 1.60 -0.04 0.00 -1.73 0.00 0.00 68.15 68.96 2iul h THR 54 CO 0.09 0.52 0.59 0.28 -0.25 0.00 0.00 175.52 176.75 2iul h SER 55 N 0.57 1.03 -0.59 5.36 0.02 -0.95 -1.97 113.55 117.01 2iul h SER 55 Ca 0.03 -0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2iul h SER 55 Cb 1.01 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 2iul h SER 55 CO 0.10 0.74 0.14 1.56 -1.14 0.00 0.00 176.83 178.23 2iul h GLN 56 N 1.21 0.27 -0.08 3.45 4.20 -1.37 0.91 115.11 123.69 2iul h GLN 56 Ca 0.33 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.99 2iul h GLN 56 Cb -0.14 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 2iul h GLN 56 CO -0.07 0.18 -0.09 0.28 -0.67 0.00 0.00 178.83 178.46 2iul h VAL 57 N 0.28 1.37 -0.47 -0.54 2.07 -1.52 -2.49 116.25 114.95 2iul h VAL 57 Ca 0.31 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 2iul h VAL 57 Cb 0.45 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2iul h VAL 57 CO -0.38 0.35 -0.08 0.58 0.02 0.00 0.00 177.57 178.06 2iul h VAL 58 N -0.22 1.27 -0.25 2.57 2.07 -1.13 -2.20 116.25 118.35 2iul h VAL 58 Ca 0.01 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 2iul h VAL 58 Cb 0.60 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2iul h VAL 58 CO 0.02 0.41 -0.40 -0.50 0.02 0.00 0.00 177.57 177.12 2iul h TRP 59 N 0.72 0.71 -0.35 1.57 4.06 -0.92 -1.22 115.95 120.53 2iul h TRP 59 Ca 0.12 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 2iul h TRP 59 Cb 0.61 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 2iul h TRP 59 CO 0.05 0.91 0.18 -0.97 -3.56 0.00 0.00 178.44 175.04 2iul h ASN 60 N 0.49 0.45 -0.67 -3.49 -0.73 -1.38 -0.34 115.58 109.92 2iul h ASN 60 Ca 0.04 -0.11 -0.04 0.00 1.87 0.00 0.00 56.30 58.06 2iul h ASN 60 Cb 0.91 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.36 2iul h ASN 60 CO 0.08 0.43 0.27 -0.33 -0.37 0.00 0.00 177.43 177.51 2iul h GLU 61 N 0.43 0.99 -0.32 6.67 5.08 -1.20 -2.07 114.58 124.16 2iul h GLU 61 Ca 0.12 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2iul h GLU 61 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2iul h GLU 61 CO -0.02 0.83 0.10 -0.92 -1.00 0.00 0.00 179.01 178.00 2iul h TYR 62 N 0.94 0.52 -0.97 4.33 3.20 -1.09 -2.80 116.97 121.10 2iul h TYR 62 Ca 0.22 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.06 2iul h TYR 62 Cb 0.21 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2iul h TYR 62 CO 0.01 0.53 0.64 0.00 -1.64 0.00 0.00 178.16 177.70 2iul h ALA 63 N 0.94 1.26 -0.03 1.82 0.00 -0.92 0.22 119.26 122.54 2iul h ALA 63 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2iul h ALA 63 Cb 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2iul h ALA 63 CO -0.00 0.57 -0.14 1.05 0.00 0.00 0.00 179.25 180.73 2iul h GLU 64 N 1.28 -0.21 -0.61 0.00 -0.00 -1.28 0.15 114.58 113.90 2iul h GLU 64 Ca 0.37 0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.70 2iul h GLU 64 Cb -0.08 0.05 -0.03 0.00 -0.00 0.00 0.00 28.75 28.69 2iul h GLU 64 CO -0.10 -0.14 0.21 0.00 -0.00 0.00 0.00 179.01 178.98 2iul h ALA 65 N 0.77 0.80 -0.36 1.06 0.00 -1.19 -0.68 119.26 119.66 2iul h ALA 65 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2iul h ALA 65 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2iul h ALA 65 CO -0.16 0.45 0.21 -0.97 0.00 0.00 0.00 179.25 178.78 2iul h ASN 66 N 0.87 0.43 -0.25 0.00 -1.24 -0.78 -2.05 115.58 112.55 2iul h ASN 66 Ca 0.20 -0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.18 2iul h ASN 66 Cb 0.26 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 2iul h ASN 66 CO -0.01 0.37 0.04 -0.25 -1.29 0.00 0.00 177.43 176.29 2iul h TRP 67 N 0.46 0.07 -0.87 0.67 2.91 -0.47 -1.24 115.95 117.48 2iul h TRP 67 Ca 0.13 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.21 2iul h TRP 67 Cb 0.02 0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 28.62 2iul h TRP 67 CO -0.04 0.01 0.57 -0.91 -1.03 0.00 0.00 178.44 177.04 2iul h ASN 68 N 0.13 0.89 -0.04 2.65 2.35 -0.89 -0.80 115.58 119.86 2iul h ASN 68 Ca 0.12 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2iul h ASN 68 Cb 0.12 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2iul h ASN 68 CO -0.16 0.59 -0.06 0.22 -1.65 0.00 0.00 177.43 176.37 2iul h TYR 69 N 1.02 0.14 -0.12 1.19 3.20 -1.13 -2.59 116.97 118.67 2iul h TYR 69 Ca 0.36 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.22 2iul h TYR 69 Cb 0.13 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2iul h TYR 69 CO -0.00 0.62 0.10 -0.91 -1.64 0.00 0.00 178.16 176.33 2iul h ASN 70 N -0.39 0.00 -0.39 -2.11 2.35 -0.68 -1.68 115.58 112.68 2iul h ASN 70 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2iul h ASN 70 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2iul h ASN 70 CO 0.01 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.14 2iul n THR 71 N -4.34 0.69 -2.72 2.81 -2.24 -0.36 -0.30 114.28 107.82 2iul n THR 71 Ca 0.00 -0.85 -0.05 0.00 -2.27 0.00 0.00 64.05 60.88 2iul n THR 71 Cb 0.22 0.77 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 2iul n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2iul n ASN 72 N 1.09 -2.45 -4.55 3.42 2.85 -0.66 -4.78 115.26 110.18 2iul n ASN 72 Ca 0.16 -2.45 -0.39 0.00 -0.11 0.00 0.00 54.58 51.80 2iul n ASN 72 Cb 0.51 1.37 -0.03 0.00 1.24 0.00 0.00 39.78 42.87 2iul n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2iul s ILE 73 N 0.67 3.51 0.26 -1.44 1.01 0.13 -4.52 121.20 120.82 2iul s ILE 73 Ca 0.29 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.14 2iul s ILE 73 Cb 0.14 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 2iul s ILE 73 CO -0.13 -1.28 0.10 0.42 0.00 0.00 0.00 174.94 174.05 2iul s THR 74 N 7.86 0.55 0.17 2.92 -4.23 -1.26 -4.61 115.64 117.03 2iul s THR 74 Ca 0.56 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 2iul s THR 74 Cb -0.10 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.17 2iul s THR 74 CO 0.16 0.00 1.84 0.74 -0.54 0.00 0.00 174.62 176.82 2iul h THR 75 N 2.37 1.13 0.04 3.99 2.02 -1.99 -2.14 112.91 118.32 2iul h THR 75 Ca -0.38 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2iul h THR 75 Cb 1.25 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2iul h THR 75 CO 0.60 0.13 -0.02 -0.08 0.37 0.00 0.00 175.52 176.52 2iul h GLU 76 N 0.71 -0.05 0.00 6.66 4.81 -1.96 -0.93 114.58 123.81 2iul h GLU 76 Ca 0.19 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2iul h GLU 76 Cb -0.08 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2iul h GLU 76 CO -0.04 0.01 -0.28 1.79 -0.73 0.00 0.00 179.01 179.76 2iul h THR 77 N -0.10 0.96 0.05 0.32 1.35 -1.84 -1.66 112.91 111.99 2iul h THR 77 Ca -0.01 -1.06 -0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2iul h THR 77 Cb 0.09 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2iul h THR 77 CO 0.01 0.28 -0.02 0.28 -0.25 0.00 0.00 175.52 175.81 2iul h SER 78 N 0.00 -0.06 -0.17 5.36 0.02 -1.12 -1.94 113.55 115.64 2iul h SER 78 Ca -0.00 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.76 2iul h SER 78 Cb 0.59 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2iul h SER 78 CO 0.04 0.19 -0.01 0.50 -1.14 0.00 0.00 176.83 176.40 2iul h LYS 79 N -0.31 0.04 -0.93 3.45 3.64 -0.82 -0.67 116.57 120.98 2iul h LYS 79 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2iul h LYS 79 Cb 0.27 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2iul h LYS 79 CO 0.01 0.03 0.54 0.82 -2.27 0.00 0.00 179.45 178.58 2iul h ILE 80 N 0.04 1.26 0.26 2.00 2.04 -1.37 -1.61 117.51 120.13 2iul h ILE 80 Ca 0.08 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2iul h ILE 80 Cb 0.10 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2iul h ILE 80 CO -0.14 0.28 -0.13 0.25 0.00 0.00 0.00 178.15 178.41 2iul h LEU 81 N 1.28 -0.30 -1.76 1.44 5.85 -1.03 -1.21 115.31 119.59 2iul h LEU 81 Ca 0.33 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.05 2iul h LEU 81 Cb -0.03 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2iul h LEU 81 CO -0.06 -0.08 0.35 -0.07 -0.34 0.00 0.00 178.44 178.24 2iul h LEU 82 N -0.50 0.25 -0.21 2.25 3.38 -0.96 -0.28 115.31 119.23 2iul h LEU 82 Ca -0.04 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2iul h LEU 82 Cb 0.38 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2iul h LEU 82 CO 0.06 0.15 -0.24 -0.61 0.09 0.00 0.00 178.44 177.89 2iul h GLN 83 N 0.28 0.53 0.00 1.13 -0.00 -1.15 -3.14 115.11 112.77 2iul h GLN 83 Ca 0.24 -0.29 -0.05 0.00 -0.00 0.00 0.00 58.65 58.55 2iul h GLN 83 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 2iul h GLN 83 CO -0.05 0.88 -0.22 0.87 0.00 0.00 0.00 178.83 180.31 2iul h LYS 84 N 0.22 0.00 -0.78 1.69 1.79 -0.13 -2.10 116.57 117.25 2iul h LYS 84 Ca 0.03 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.61 2iul h LYS 84 Cb 0.79 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.36 2iul h LYS 84 CO 0.06 0.22 0.40 -0.91 -1.08 0.00 0.00 179.45 178.13 2iul h ASN 85 N 0.00 0.52 0.39 0.86 2.35 -1.04 -1.38 115.58 117.27 2iul h ASN 85 Ca -0.00 0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 2iul h ASN 85 Cb 0.46 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2iul h ASN 85 CO 0.03 0.27 -0.70 0.24 -1.65 0.00 0.00 177.43 175.62 2iul h MET 86 N 0.64 0.27 0.08 0.81 2.86 -1.39 -2.04 114.93 116.16 2iul h MET 86 Ca 0.39 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2iul h MET 86 Cb 0.46 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2iul h MET 86 CO -0.30 0.86 -0.04 0.37 1.06 0.00 0.00 176.91 178.87 2iul h GLN 87 N 0.19 -0.10 -0.34 1.72 4.15 -1.27 -1.24 115.11 118.22 2iul h GLN 87 Ca -0.02 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 2iul h GLN 87 Cb 1.25 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.94 2iul h GLN 87 CO 0.11 0.10 -0.05 0.97 -1.93 0.00 0.00 178.83 178.03 2iul h ILE 88 N -0.29 1.22 -0.51 2.39 2.10 -1.27 -2.43 117.51 118.72 2iul h ILE 88 Ca -0.01 -0.91 -0.12 0.00 1.08 0.00 0.00 64.86 64.90 2iul h ILE 88 Cb 0.25 1.02 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 2iul h ILE 88 CO 0.02 0.31 -0.14 0.00 -1.08 0.00 0.00 178.15 177.25 2iul h ALA 89 N 1.43 0.78 -0.13 0.18 0.00 -1.31 0.51 119.26 120.71 2iul h ALA 89 Ca 0.10 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.70 2iul h ALA 89 Cb 0.41 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2iul h ALA 89 CO 0.02 0.67 -0.16 1.96 0.00 0.00 0.00 179.25 181.74 2iul h GLN 90 N 0.87 -0.19 -0.59 0.00 4.20 -0.99 0.17 115.11 118.59 2iul h GLN 90 Ca 0.13 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2iul h GLN 90 Cb 0.70 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 2iul h GLN 90 CO 0.05 -0.13 0.32 1.25 -0.67 0.00 0.00 178.83 179.65 2iul h HIS 91 N -0.20 0.82 -0.48 2.96 2.76 -1.26 -1.29 115.15 118.46 2iul h HIS 91 Ca 0.10 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2iul h HIS 91 Cb 0.34 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 2iul h HIS 91 CO -0.28 0.60 0.22 1.15 -1.30 0.00 0.00 177.93 178.32 2iul h THR 92 N 0.80 1.19 -0.04 6.26 2.02 -0.65 -2.36 112.91 120.13 2iul h THR 92 Ca 0.21 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2iul h THR 92 Cb 0.06 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2iul h THR 92 CO -0.03 0.22 0.02 0.25 0.37 0.00 0.00 175.52 176.35 2iul h LEU 93 N 0.64 0.04 0.00 2.58 5.85 -0.51 0.13 115.31 124.04 2iul h LEU 93 Ca 0.17 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2iul h LEU 93 Cb 0.14 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2iul h LEU 93 CO -0.02 0.05 -0.46 0.50 -0.34 0.00 0.00 178.44 178.17 2iul h LYS 94 N 0.03 -0.59 0.01 1.25 3.64 -1.15 0.07 116.57 119.85 2iul h LYS 94 Ca 0.01 0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.22 2iul h LYS 94 Cb 0.01 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2iul h LYS 94 CO -0.00 -0.39 -0.93 1.88 -2.27 0.00 0.00 179.45 177.73 2iul h TYR 95 N -0.61 0.38 -0.37 1.91 -1.99 -1.45 -2.90 116.97 111.94 2iul h TYR 95 Ca 0.04 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.52 2iul h TYR 95 Cb 0.68 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 2iul h TYR 95 CO -0.45 1.05 0.13 0.78 -0.00 0.00 0.00 178.16 179.66 2iul h GLY 96 N 1.71 0.60 0.85 3.88 0.00 -0.64 0.19 103.07 109.67 2iul h GLY 96 Ca -0.06 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 46.96 2iul h GLY 96 CO 0.15 0.33 0.53 -0.84 0.00 0.00 0.00 176.54 176.70 2iul h THR 97 N 0.45 1.12 -0.40 4.70 2.02 -1.03 -2.42 112.91 117.35 2iul h THR 97 Ca 0.12 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 2iul h THR 97 Cb 0.23 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2iul h THR 97 CO -0.01 0.19 -0.11 1.56 0.37 0.00 0.00 175.52 177.52 2iul h GLN 98 N 1.02 0.78 -0.34 6.66 4.20 -1.27 -3.12 115.11 123.04 2iul h GLN 98 Ca 0.34 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2iul h GLN 98 Cb 0.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2iul h GLN 98 CO -0.12 0.92 0.21 0.00 -0.67 0.00 0.00 178.83 179.16 2iul h ALA 99 N 0.84 1.72 0.00 3.87 0.00 -0.36 -2.21 119.26 123.12 2iul h ALA 99 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2iul h ALA 99 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2iul h ALA 99 CO 0.04 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.08 2iul n ARG 100 N -4.47 0.11 0.17 0.00 1.74 -0.93 -2.46 116.66 110.82 2iul n ARG 100 Ca 0.02 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 2iul n ARG 100 Cb 0.08 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.24 2iul n ARG 100 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2iul h LYS 101 N 0.00 0.00 -6.49 5.56 1.57 -1.46 -3.45 116.57 112.30 2iul h LYS 101 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2iul h LYS 101 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2iul h LYS 101 CO 0.00 0.00 0.20 -0.06 -0.57 0.00 0.00 179.45 179.02 2iul s PHE 102 N -3.19 3.87 -0.76 -1.35 0.40 -1.03 -5.02 117.98 110.90 2iul s PHE 102 Ca 0.07 1.63 -0.23 0.00 -0.60 0.00 0.00 56.93 57.81 2iul s PHE 102 Cb 0.08 -2.82 0.07 0.00 0.51 0.00 0.00 43.02 40.86 2iul s PHE 102 CO 0.66 0.43 1.10 0.34 0.70 0.00 0.00 175.22 178.46 2iul s ASP 103 N -0.80 6.28 0.12 1.36 -1.08 -1.26 -4.92 116.67 116.37 2iul s ASP 103 Ca 0.38 -1.12 -0.17 0.00 -0.52 0.00 0.00 52.55 51.11 2iul s ASP 103 Cb -0.23 -2.46 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 2iul s ASP 103 CO 0.26 -1.46 1.68 0.58 0.52 0.00 0.00 175.17 176.75 2iul h VAL 104 N 6.05 1.17 0.00 1.11 2.07 -1.94 -2.47 116.25 122.23 2iul h VAL 104 Ca -0.16 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2iul h VAL 104 Cb 1.05 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2iul h VAL 104 CO 1.21 0.18 0.00 0.59 0.02 0.00 0.00 177.57 179.57 2iul n ASN 105 N -4.73 0.00 -1.06 0.57 3.02 -1.26 -2.03 115.26 109.77 2iul n ASN 105 Ca -0.01 -0.30 0.07 0.00 -0.03 0.00 0.00 54.58 54.31 2iul n ASN 105 Cb 0.12 -0.10 0.28 0.00 -0.61 0.00 0.00 39.78 39.46 2iul n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iul n GLN 106 N -1.10 3.11 -4.55 3.52 1.13 -0.93 -4.99 117.38 113.57 2iul n GLN 106 Ca 0.10 -2.91 -0.34 0.00 -1.94 0.00 0.00 57.00 51.91 2iul n GLN 106 Cb 0.08 -1.91 -0.11 0.00 0.11 0.00 0.00 30.24 28.41 2iul n GLN 106 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2iul s LEU 107 N -2.86 3.21 -0.01 1.08 1.02 -0.86 -5.00 118.68 115.27 2iul s LEU 107 Ca 0.44 -0.05 -0.23 0.00 0.02 0.00 0.00 54.13 54.31 2iul s LEU 107 Cb 0.36 -1.72 -0.16 0.00 0.02 0.00 0.00 46.19 44.69 2iul s LEU 107 CO 0.09 0.30 1.09 -0.61 0.02 0.00 0.00 176.35 177.25 2iul h GLN 108 N 5.69 -0.36 -6.51 1.70 4.15 -1.94 -3.45 115.11 114.39 2iul h GLN 108 Ca -0.43 0.02 -0.53 0.00 0.77 0.00 0.00 58.65 58.48 2iul h GLN 108 Cb 1.18 0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.97 2iul h GLN 108 CO 0.55 -0.01 0.66 1.21 -1.93 0.00 0.00 178.83 179.31 2iul s ASN 109 N -5.18 6.94 0.05 -0.69 3.84 -1.26 -4.96 114.94 113.67 2iul s ASN 109 Ca -0.13 2.18 -0.22 0.00 0.21 0.00 0.00 52.86 54.89 2iul s ASN 109 Cb 0.02 -2.58 -0.14 0.00 -0.55 0.00 0.00 41.25 37.99 2iul s ASN 109 CO 0.51 -0.58 1.48 0.74 -2.79 0.00 0.00 177.10 176.46 2iul h THR 110 N 4.40 1.24 -0.55 -5.21 2.02 -1.99 -1.98 112.91 110.84 2iul h THR 110 Ca -0.42 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 2iul h THR 110 Cb 1.21 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 2iul h THR 110 CO 0.84 0.22 0.30 0.74 0.37 0.00 0.00 175.52 178.00 2iul h THR 111 N -0.09 1.18 -0.31 3.16 2.02 -1.93 -1.76 112.91 115.19 2iul h THR 111 Ca 0.03 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 2iul h THR 111 Cb 0.34 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2iul h THR 111 CO 0.00 0.20 -0.08 0.40 0.37 0.00 0.00 175.52 176.41 2iul h ILE 112 N 0.74 1.28 -0.75 3.11 5.03 -1.98 -2.32 117.51 122.62 2iul h ILE 112 Ca 0.19 -1.12 0.02 0.00 -0.12 0.00 0.00 64.86 63.83 2iul h ILE 112 Cb 0.04 1.39 -0.04 0.00 -3.03 0.00 0.00 36.82 35.18 2iul h ILE 112 CO -0.03 0.36 0.48 0.50 -0.68 0.00 0.00 178.15 178.78 2iul h LYS 113 N 0.36 0.94 -0.62 2.37 3.64 -1.24 -1.60 116.57 120.43 2iul h LYS 113 Ca 0.08 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2iul h LYS 113 Cb 0.57 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2iul h LYS 113 CO 0.03 0.62 0.14 -0.09 -2.27 0.00 0.00 179.45 177.89 2iul h ARG 114 N 0.97 1.00 0.13 1.90 2.43 -1.30 -1.58 114.38 117.93 2iul h ARG 114 Ca 0.28 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2iul h ARG 114 Cb -0.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2iul h ARG 114 CO -0.08 0.92 -0.06 0.82 -1.51 0.00 0.00 179.97 180.05 2iul h ILE 115 N 0.92 0.97 -0.87 1.20 2.04 -1.01 -2.86 117.51 117.90 2iul h ILE 115 Ca 0.19 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2iul h ILE 115 Cb 0.37 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2iul h ILE 115 CO 0.00 0.09 0.55 0.40 0.00 0.00 0.00 178.15 179.20 2iul h ILE 116 N -0.35 1.23 -0.54 -0.67 2.04 -1.28 -1.63 117.51 116.31 2iul h ILE 116 Ca -0.02 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2iul h ILE 116 Cb 0.28 -0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 2iul h ILE 116 CO 0.03 0.23 0.14 0.11 0.00 0.00 0.00 178.15 178.66 2iul h LYS 117 N 1.18 0.27 -0.48 2.37 1.57 -1.30 -2.23 116.57 117.95 2iul h LYS 117 Ca 0.31 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2iul h LYS 117 Cb -0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2iul h LYS 117 CO -0.06 0.18 0.13 -0.22 -0.57 0.00 0.00 179.45 178.91 2iul h LYS 118 N 0.28 0.76 0.00 3.15 3.64 -1.16 -3.08 116.57 120.17 2iul h LYS 118 Ca 0.27 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2iul h LYS 118 Cb 0.36 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2iul h LYS 118 CO -0.33 0.73 -0.18 0.28 -2.27 0.00 0.00 179.45 177.68 2iul h VAL 119 N 0.65 1.12 -0.03 2.00 2.07 -1.02 -1.65 116.25 119.39 2iul h VAL 119 Ca 0.15 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2iul h VAL 119 Cb 0.30 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2iul h VAL 119 CO -0.00 0.18 0.04 1.56 0.02 0.00 0.00 177.57 179.37 2iul h GLN 120 N 0.00 0.00 -5.90 1.57 4.20 -1.31 -3.37 115.11 110.29 2iul h GLN 120 Ca -0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 2iul h GLN 120 Cb 0.33 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.99 2iul h GLN 120 CO 0.02 0.00 0.52 0.34 -0.67 0.00 0.00 178.83 179.05 2iul s ASP 121 N -5.73 6.39 0.08 1.46 -1.08 -0.62 -4.89 116.67 112.28 2iul s ASP 121 Ca -0.05 -0.20 0.28 0.00 -0.52 0.00 0.00 52.55 52.06 2iul s ASP 121 Cb 0.14 -2.43 1.02 0.00 -1.46 0.00 0.00 42.92 40.19 2iul s ASP 121 CO 0.49 -1.12 1.83 0.18 0.52 0.00 0.00 175.17 177.08 2iul n LEU 122 N 7.22 0.35 0.00 -1.34 4.77 -1.26 -5.01 117.00 121.74 2iul n LEU 122 Ca 0.03 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2iul n LEU 122 Cb 0.48 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2iul n LEU 122 CO 0.63 -0.07 0.00 -0.62 -1.33 0.00 0.00 177.39 176.00 2iul n GLU 123 N -1.81 0.00 0.28 3.23 1.02 -1.26 -2.10 120.64 120.00 2iul n GLU 123 Ca 0.06 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.37 2iul n GLU 123 Cb 0.38 0.00 0.81 0.00 -0.02 0.00 0.00 31.44 32.61 2iul n GLU 123 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2iul h ARG 124 N 0.00 0.00 0.00 3.49 0.11 -1.95 -2.60 114.38 113.43 2iul h ARG 124 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2iul h ARG 124 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2iul h ARG 124 CO 0.00 0.06 0.00 0.00 0.10 0.00 0.00 179.97 180.13 2iul n ALA 125 N -2.17 1.68 0.23 0.08 0.00 -0.89 -1.83 120.51 117.60 2iul n ALA 125 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2iul n ALA 125 Cb 0.23 -1.19 0.39 0.00 0.00 0.00 0.00 19.45 18.88 2iul n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iul h ALA 126 N 2.53 0.97 -2.87 0.00 0.00 -1.62 -3.45 119.26 114.82 2iul h ALA 126 Ca 0.00 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.29 2iul h ALA 126 Cb 0.13 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 17.97 2iul h ALA 126 CO 0.00 0.13 0.63 -0.51 0.00 0.00 0.00 179.25 179.50 2iul s LEU 127 N -6.35 4.37 0.72 0.00 1.43 -0.76 -5.00 118.68 113.10 2iul s LEU 127 Ca 0.03 2.68 -0.16 0.00 -1.03 0.00 0.00 54.13 55.65 2iul s LEU 127 Cb 0.08 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2iul s LEU 127 CO 0.63 -0.61 1.01 -2.65 0.23 0.00 0.00 176.35 174.96 2iul n PRO 128 N 0.62 0.52 -0.27 1.29 -0.02 -1.26 -4.57 135.00 131.32 2iul n PRO 128 Ca 0.01 0.24 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 2iul n PRO 128 Cb 0.42 -2.26 0.19 0.00 -0.02 0.00 0.00 33.50 31.83 2iul n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iul h ALA 129 N -0.26 0.92 -0.13 3.55 0.00 -1.96 -0.16 119.26 121.22 2iul h ALA 129 Ca -0.47 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2iul h ALA 129 Cb 1.33 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2iul h ALA 129 CO 0.47 -0.42 0.04 0.37 0.00 0.00 0.00 179.25 179.71 2iul h GLN 130 N 0.15 0.20 -0.58 0.00 4.15 -2.00 -1.41 115.11 115.62 2iul h GLN 130 Ca 0.45 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.78 2iul h GLN 130 Cb 0.81 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 2iul h GLN 130 CO -0.64 0.34 0.19 0.93 -1.93 0.00 0.00 178.83 177.71 2iul h GLU 131 N 0.03 0.87 -0.17 1.69 3.07 -1.75 -2.32 114.58 116.00 2iul h GLU 131 Ca 0.04 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2iul h GLU 131 Cb 0.22 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2iul h GLU 131 CO -0.00 0.75 0.07 1.25 -1.40 0.00 0.00 179.01 179.67 2iul h LEU 132 N 0.85 0.23 -0.84 1.33 5.85 -0.84 0.12 115.31 122.00 2iul h LEU 132 Ca 0.19 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2iul h LEU 132 Cb 0.24 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2iul h LEU 132 CO -0.01 0.34 0.32 1.05 -0.34 0.00 0.00 178.44 179.80 2iul h GLU 133 N 0.12 1.17 -0.28 1.25 4.11 -1.18 0.24 114.58 120.00 2iul h GLU 133 Ca 0.06 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 2iul h GLU 133 Cb 0.18 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2iul h GLU 133 CO -0.00 0.94 0.13 1.49 0.07 0.00 0.00 179.01 181.63 2iul h GLU 134 N 1.14 0.42 -0.15 1.06 4.81 -1.26 -1.84 114.58 118.77 2iul h GLU 134 Ca 0.26 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2iul h GLU 134 Cb 0.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2iul h GLU 134 CO -0.02 0.42 0.09 -0.92 -0.73 0.00 0.00 179.01 177.85 2iul h TYR 135 N 0.32 0.20 -0.93 0.92 3.20 -0.49 -0.34 116.97 119.84 2iul h TYR 135 Ca 0.10 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.03 2iul h TYR 135 Cb 0.15 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 2iul h TYR 135 CO -0.01 0.16 0.59 -0.91 -1.64 0.00 0.00 178.16 176.35 2iul h ASN 136 N 0.17 0.94 -0.37 -2.11 2.35 -0.88 -0.98 115.58 114.72 2iul h ASN 136 Ca 0.05 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 2iul h ASN 136 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2iul h ASN 136 CO -0.01 0.60 -0.38 0.50 -1.65 0.00 0.00 177.43 176.49 2iul h LYS 137 N 1.08 0.91 -0.41 0.81 3.64 -1.03 -1.84 116.57 119.72 2iul h LYS 137 Ca 0.41 -0.48 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2iul h LYS 137 Cb 0.17 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2iul h LYS 137 CO -0.17 1.13 0.22 0.82 -2.27 0.00 0.00 179.45 179.19 2iul h ILE 138 N 0.72 1.01 -0.31 2.00 2.04 -0.59 0.66 117.51 123.03 2iul h ILE 138 Ca 0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2iul h ILE 138 Cb 0.97 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2iul h ILE 138 CO 0.09 0.08 0.17 -0.07 0.00 0.00 0.00 178.15 178.43 2iul h LEU 139 N 0.45 0.38 -0.49 1.44 3.38 -1.07 -0.22 115.31 119.18 2iul h LEU 139 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2iul h LEU 139 Cb 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2iul h LEU 139 CO -0.10 0.36 0.32 0.25 0.09 0.00 0.00 178.44 179.36 2iul h LEU 140 N 0.38 0.57 -0.43 1.67 5.85 -1.18 -1.91 115.31 120.26 2iul h LEU 140 Ca 0.11 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2iul h LEU 140 Cb 0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2iul h LEU 140 CO -0.02 0.42 0.17 0.44 -0.34 0.00 0.00 178.44 179.11 2iul h ASP 141 N 0.66 0.60 -0.15 1.25 3.32 -0.57 -1.53 116.42 119.99 2iul h ASP 141 Ca 0.18 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2iul h ASP 141 Cb -0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2iul h ASP 141 CO -0.04 0.61 0.09 0.24 -1.72 0.00 0.00 179.24 178.43 2iul h MET 142 N 0.55 0.21 -0.68 3.56 2.86 -0.96 -0.50 114.93 119.97 2iul h MET 142 Ca 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2iul h MET 142 Cb 0.20 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2iul h MET 142 CO -0.01 0.18 0.38 1.49 1.06 0.00 0.00 176.91 180.01 2iul h GLU 143 N 0.18 0.96 -0.10 1.72 4.57 -1.27 -1.91 114.58 118.73 2iul h GLU 143 Ca 0.06 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2iul h GLU 143 Cb 0.02 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2iul h GLU 143 CO -0.01 0.72 -0.01 1.15 -1.18 0.00 0.00 179.01 179.67 2iul h THR 144 N 0.94 1.27 -0.38 0.32 2.02 -1.23 -1.02 112.91 114.82 2iul h THR 144 Ca 0.24 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.63 2iul h THR 144 Cb 0.04 1.66 -0.08 0.00 -1.74 0.00 0.00 68.15 68.03 2iul h THR 144 CO -0.04 0.25 -0.15 0.74 0.37 0.00 0.00 175.52 176.69 2iul h THR 145 N -0.12 0.50 -0.43 3.16 2.02 -1.01 -1.39 112.91 115.64 2iul h THR 145 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2iul h THR 145 Cb 0.39 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2iul h THR 145 CO 0.01 0.00 0.20 0.22 0.37 0.00 0.00 175.52 176.31 2iul h TYR 146 N -0.08 0.62 0.00 3.16 3.20 -1.28 -2.56 116.97 120.03 2iul h TYR 146 Ca 0.19 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2iul h TYR 146 Cb 0.37 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2iul h TYR 146 CO -0.39 0.52 0.00 0.77 -1.64 0.00 0.00 178.16 177.41 2iul h SER 147 N 0.55 0.00 -0.00 -2.11 0.02 -0.64 -3.19 113.55 108.17 2iul h SER 147 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2iul h SER 147 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2iul h SER 147 CO -0.02 0.00 -0.33 1.33 -1.14 0.00 0.00 176.83 176.67 2iul n VAL 148 N -2.53 0.00 -1.72 2.27 0.24 -0.57 -4.87 118.33 111.15 2iul n VAL 148 Ca 0.03 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 2iul n VAL 148 Cb 0.34 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.76 2iul n VAL 148 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2iul n ALA 149 N -0.72 1.86 -2.35 2.33 0.00 -0.97 -5.02 120.51 115.65 2iul n ALA 149 Ca 0.03 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 2iul n ALA 149 Cb 0.19 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.17 2iul n ALA 149 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2iul s THR 150 N -0.34 1.66 -0.16 0.00 -4.23 -1.26 -4.43 115.64 106.87 2iul s THR 150 Ca 0.63 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2iul s THR 150 Cb -0.55 -1.99 0.03 0.00 1.34 0.00 0.00 72.50 71.32 2iul s THR 150 CO 0.53 -0.59 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.19 2iul s VAL 151 N -2.94 1.64 -0.08 2.29 1.01 0.03 -4.88 120.40 117.48 2iul s VAL 151 Ca 0.21 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2iul s VAL 151 Cb -0.01 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2iul s VAL 151 CO 0.06 0.41 -0.15 0.00 0.00 0.00 0.00 175.10 175.43 2iul s HIS 153 N -0.34 2.86 0.20 0.00 3.76 -0.94 -5.01 115.29 115.82 2iul s HIS 153 Ca 0.03 0.78 -0.32 0.00 -0.15 0.00 0.00 55.06 55.39 2iul s HIS 153 Cb -0.13 -4.00 -0.13 0.00 1.11 0.00 0.00 32.58 29.43 2iul s HIS 153 CO 0.02 -3.43 1.58 -2.30 -0.85 0.00 0.00 174.74 169.76 2iul n PRO 154 N 2.57 2.33 -2.12 8.40 -0.02 -1.26 -1.58 135.00 143.32 2iul n PRO 154 Ca 0.09 0.84 -0.14 0.00 -2.02 0.00 0.00 63.50 62.27 2iul n PRO 154 Cb 0.38 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 2iul n PRO 154 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2iul n GLN 155 N 3.11 -1.86 -0.06 -0.52 3.00 -1.26 -4.87 117.38 114.91 2iul n GLN 155 Ca 0.15 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 2iul n GLN 155 Cb 0.32 -5.25 0.00 0.00 0.00 0.00 0.00 30.24 25.31 2iul n GLN 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2iul n GLY 156 N -0.67 4.68 3.84 1.08 0.00 -0.61 -5.15 105.19 108.36 2iul n GLY 156 Ca -0.16 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 2iul n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iul s SER 157 N 1.14 6.71 -0.13 1.61 1.04 -1.26 -4.66 113.70 118.15 2iul s SER 157 Ca 0.00 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 2iul s SER 157 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 2iul s SER 157 CO 0.00 -0.43 0.03 0.00 0.98 0.00 0.00 173.24 173.83 2iul s LEU 159 N -0.38 2.99 0.48 0.00 1.02 0.53 -4.90 118.68 118.43 2iul s LEU 159 Ca 0.08 -0.22 -0.07 0.00 0.02 0.00 0.00 54.13 53.94 2iul s LEU 159 Cb -0.12 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 2iul s LEU 159 CO 0.02 0.17 0.82 -1.10 0.02 0.00 0.00 176.35 176.28 2iul s GLN 160 N 0.34 3.60 0.10 1.70 -0.21 -1.26 -0.79 119.66 123.14 2iul s GLN 160 Ca -0.07 0.33 -0.22 0.00 0.02 0.00 0.00 55.36 55.42 2iul s GLN 160 Cb -0.15 -2.34 -0.11 0.00 1.00 0.00 0.00 33.01 31.41 2iul s GLN 160 CO 0.04 -0.22 1.75 1.25 -2.12 0.00 0.00 175.29 175.99 2iul h LEU 161 N 0.36 0.04 -8.33 2.90 5.85 -1.96 -1.26 115.31 112.91 2iul h LEU 161 Ca -0.47 0.01 -0.67 0.00 0.84 0.00 0.00 57.88 57.60 2iul h LEU 161 Cb 1.20 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.94 2iul h LEU 161 CO 0.62 0.04 -0.71 -1.61 -0.34 0.00 0.00 178.44 176.44 2iul s GLU 162 N -6.19 3.18 0.00 1.25 2.02 -1.26 -1.66 118.70 116.04 2iul s GLU 162 Ca -0.13 -0.76 0.17 0.00 0.02 0.00 0.00 54.97 54.27 2iul s GLU 162 Cb 0.07 -3.07 0.09 0.00 0.10 0.00 0.00 34.13 31.33 2iul s GLU 162 CO 0.67 -0.30 0.99 -0.35 0.02 0.00 0.00 175.26 176.29 2iul n PRO 163 N 4.78 1.47 0.07 0.39 -0.04 -1.26 -4.98 135.00 135.43 2iul n PRO 163 Ca -0.17 -1.32 -0.12 0.00 -0.04 0.00 0.00 63.50 61.85 2iul n PRO 163 Cb 0.49 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 2iul n PRO 163 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2iul h ASP 164 N 2.92 -0.20 -0.15 3.54 3.32 -1.38 -0.87 116.42 123.60 2iul h ASP 164 Ca 0.00 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 2iul h ASP 164 Cb 0.67 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2iul h ASP 164 CO 0.00 0.28 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.31 2iul h LEU 165 N -0.75 0.74 -0.51 1.55 3.38 -1.03 -2.17 115.31 116.52 2iul h LEU 165 Ca -0.02 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.68 2iul h LEU 165 Cb 0.51 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2iul h LEU 165 CO 0.04 1.06 0.18 0.74 0.09 0.00 0.00 178.44 180.55 2iul h THR 166 N 0.56 0.82 -0.56 0.22 2.02 -1.24 -1.27 112.91 113.47 2iul h THR 166 Ca 0.04 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 2iul h THR 166 Cb 0.95 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2iul h THR 166 CO 0.09 0.07 0.19 -1.13 0.37 0.00 0.00 175.52 175.10 2iul h ASN 167 N 0.36 0.81 -0.19 4.18 -1.24 -0.87 -1.26 115.58 117.36 2iul h ASN 167 Ca 0.25 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 57.09 2iul h ASN 167 Cb 0.27 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2iul h ASN 167 CO -0.25 0.79 0.01 0.58 -1.29 0.00 0.00 177.43 177.27 2iul h VAL 168 N 0.78 0.88 -0.62 2.57 2.07 -1.08 -1.10 116.25 119.75 2iul h VAL 168 Ca 0.18 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2iul h VAL 168 Cb 0.26 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2iul h VAL 168 CO -0.01 0.01 0.37 0.24 0.02 0.00 0.00 177.57 178.20 2iul h MET 169 N 0.07 0.84 0.03 1.57 2.86 -1.07 -0.66 114.93 118.58 2iul h MET 169 Ca 0.09 -0.07 -0.22 0.00 -2.06 0.00 0.00 59.70 57.44 2iul h MET 169 Cb 0.10 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2iul h MET 169 CO -0.14 0.60 -0.98 0.00 1.06 0.00 0.00 176.91 177.44 2iul h ALA 170 N 1.55 0.39 0.00 6.32 0.00 -0.91 -3.32 119.26 123.29 2iul h ALA 170 Ca 0.22 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2iul h ALA 170 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2iul h ALA 170 CO -0.04 0.97 -1.32 0.25 0.00 0.00 0.00 179.25 179.11 2iul n THR 171 N -3.59 0.32 -2.05 0.00 -2.24 -0.44 -4.71 114.28 101.56 2iul n THR 171 Ca -0.04 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 2iul n THR 171 Cb 0.88 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2iul n THR 171 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2iul s SER 172 N -3.57 6.70 -0.17 3.42 0.15 -0.27 -4.92 113.70 115.04 2iul s SER 172 Ca -0.02 2.66 0.15 0.00 0.70 0.00 0.00 55.95 59.44 2iul s SER 172 Cb 0.01 -2.63 0.37 0.00 -1.71 0.00 0.00 66.02 62.06 2iul s SER 172 CO 0.19 -0.64 1.21 0.54 1.20 0.00 0.00 173.24 175.73 2iul n ARG 173 N 1.88 1.52 -3.74 5.44 5.12 -1.26 -4.94 116.66 120.67 2iul n ARG 173 Ca 0.05 -2.92 -0.37 0.00 -1.93 0.00 0.00 57.85 52.68 2iul n ARG 173 Cb 0.41 -1.58 -0.12 0.00 -1.16 0.00 0.00 32.46 30.00 2iul n ARG 173 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2iul s LYS 174 N -3.04 3.36 0.24 5.56 1.02 -1.26 -5.02 119.74 120.61 2iul s LYS 174 Ca 0.36 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.60 2iul s LYS 174 Cb 0.33 -3.38 0.45 0.00 -0.52 0.00 0.00 37.83 34.70 2iul s LYS 174 CO -0.01 -0.33 1.65 -0.92 -0.92 0.00 0.00 175.35 174.82 2iul h TYR 175 N 8.25 0.04 -0.13 3.18 3.20 -1.98 -1.17 116.97 128.36 2iul h TYR 175 Ca -0.35 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.41 2iul h TYR 175 Cb 1.15 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2iul h TYR 175 CO 0.64 -0.20 -0.63 0.93 -1.64 0.00 0.00 178.16 177.26 2iul h GLU 176 N 0.14 0.47 -0.31 1.82 4.39 -1.99 -1.56 114.58 117.55 2iul h GLU 176 Ca 0.41 -0.33 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2iul h GLU 176 Cb 0.73 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2iul h GLU 176 CO -0.62 0.95 -0.44 -0.44 -1.16 0.00 0.00 179.01 177.30 2iul h ASP 177 N 0.35 0.86 -0.70 1.42 3.32 -1.83 -0.91 116.42 118.92 2iul h ASP 177 Ca -0.01 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2iul h ASP 177 Cb 1.18 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 2iul h ASP 177 CO 0.11 1.18 0.26 -0.07 -1.72 0.00 0.00 179.24 179.00 2iul h LEU 178 N 0.64 0.99 -0.58 1.55 3.38 -1.18 -2.83 115.31 117.28 2iul h LEU 178 Ca 0.04 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2iul h LEU 178 Cb 1.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2iul h LEU 178 CO 0.10 0.91 0.10 0.25 0.09 0.00 0.00 178.44 179.88 2iul h LEU 179 N 1.01 0.92 -0.50 1.67 5.85 -1.06 -1.26 115.31 121.95 2iul h LEU 179 Ca 0.23 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2iul h LEU 179 Cb 0.24 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2iul h LEU 179 CO -0.02 0.94 0.19 -0.25 -0.34 0.00 0.00 178.44 178.96 2iul h TRP 180 N 0.86 0.33 -0.28 1.25 7.01 -1.06 0.06 115.95 124.12 2iul h TRP 180 Ca 0.18 0.02 -0.18 0.00 2.11 0.00 0.00 58.89 61.02 2iul h TRP 180 Cb 0.41 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2iul h TRP 180 CO 0.03 0.11 -0.53 0.00 -2.79 0.00 0.00 178.44 175.27 2iul h ALA 181 N 1.33 0.44 -0.10 2.65 0.00 -1.36 -0.14 119.26 122.09 2iul h ALA 181 Ca 0.24 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2iul h ALA 181 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2iul h ALA 181 CO -0.24 0.65 -0.00 2.35 0.00 0.00 0.00 179.25 182.01 2iul h TRP 182 N 0.63 0.19 -0.14 0.00 7.01 -1.01 -1.65 115.95 120.99 2iul h TRP 182 Ca 0.01 -0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.87 2iul h TRP 182 Cb 1.14 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.15 2iul h TRP 182 CO 0.08 0.44 -0.35 1.49 -2.79 0.00 0.00 178.44 177.30 2iul h GLU 183 N -0.11 0.48 -0.60 2.65 4.57 -1.07 -2.97 114.58 117.53 2iul h GLU 183 Ca 0.03 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 57.91 2iul h GLU 183 Cb 0.36 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 2iul h GLU 183 CO 0.01 0.95 0.35 0.78 -1.18 0.00 0.00 179.01 179.91 2iul h GLY 184 N 0.08 0.86 0.99 1.92 0.00 -1.04 0.30 103.07 106.18 2iul h GLY 184 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2iul h GLY 184 CO 0.08 0.19 0.30 -0.25 0.00 0.00 0.00 176.54 176.86 2iul h TRP 185 N 0.68 0.76 -0.54 5.60 2.91 -1.36 -1.43 115.95 122.57 2iul h TRP 185 Ca 0.25 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.19 2iul h TRP 185 Cb 0.08 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.47 2iul h TRP 185 CO -0.07 0.56 0.08 0.00 -1.03 0.00 0.00 178.44 177.98 2iul h ARG 186 N 0.74 0.90 -0.91 2.65 3.08 -1.23 -0.06 114.38 119.56 2iul h ARG 186 Ca 0.19 -0.25 0.10 0.00 0.07 0.00 0.00 59.98 60.10 2iul h ARG 186 Cb 0.05 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 29.92 2iul h ARG 186 CO -0.03 0.88 0.55 -0.44 -1.07 0.00 0.00 179.97 179.85 2iul h ASP 187 N 0.78 0.80 0.06 7.04 3.32 -0.18 -1.29 116.42 126.96 2iul h ASP 187 Ca 0.16 0.04 -0.36 0.00 0.02 0.00 0.00 57.03 56.90 2iul h ASP 187 Cb 0.42 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2iul h ASP 187 CO 0.01 0.45 -2.05 0.29 -1.72 0.00 0.00 179.24 176.22 2iul n LYS 188 N -4.68 0.68 -0.10 3.56 4.76 -0.56 -4.06 118.16 117.76 2iul n LYS 188 Ca 0.16 0.29 -0.20 0.00 -2.87 0.00 0.00 58.31 55.68 2iul n LYS 188 Cb 0.30 -1.64 -0.11 0.00 -1.84 0.00 0.00 35.03 31.73 2iul n LYS 188 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2iul h ALA 189 N -0.16 0.23 0.11 7.82 0.00 -1.09 -3.34 119.26 122.83 2iul h ALA 189 Ca -0.48 -1.11 -0.01 0.00 0.00 0.00 0.00 54.91 53.31 2iul h ALA 189 Cb 1.83 0.65 0.00 0.00 0.00 0.00 0.00 17.79 20.27 2iul h ALA 189 CO -0.06 0.62 -0.05 0.78 0.00 0.00 0.00 179.25 180.53 2iul h GLY 190 N -1.00 -0.16 1.35 0.00 0.00 -1.32 -2.85 103.07 99.09 2iul h GLY 190 Ca -0.30 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2iul h GLY 190 CO -0.18 -0.06 0.38 3.21 0.00 0.00 0.00 176.54 179.89 2iul h ARG 191 N -0.26 0.86 0.00 4.80 3.08 -1.54 -2.50 114.38 118.82 2iul h ARG 191 Ca -0.02 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2iul h ARG 191 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2iul h ARG 191 CO 0.03 0.61 -0.22 0.00 -1.07 0.00 0.00 179.97 179.31 2iul h ALA 192 N 1.54 1.21 0.00 0.04 0.00 -1.66 -2.89 119.26 117.50 2iul h ALA 192 Ca 0.23 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2iul h ALA 192 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2iul h ALA 192 CO -0.04 0.28 -0.81 0.82 0.00 0.00 0.00 179.25 179.49 2iul h ILE 193 N 0.00 1.43 -0.95 0.00 1.08 -1.21 -3.36 117.51 114.50 2iul h ILE 193 Ca -0.00 -2.93 0.16 0.00 -0.39 0.00 0.00 64.86 61.69 2iul h ILE 193 Cb 0.56 2.65 -0.08 0.00 -3.07 0.00 0.00 36.82 36.87 2iul h ILE 193 CO 0.03 0.80 0.60 0.25 -0.69 0.00 0.00 178.15 179.14 2iul h LEU 194 N 0.00 0.71 -1.90 1.44 5.85 -1.43 -1.06 115.31 118.92 2iul h LEU 194 Ca -0.01 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2iul h LEU 194 Cb 1.58 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2iul h LEU 194 CO 0.11 0.33 -0.08 0.06 -0.34 0.00 0.00 178.44 178.51 2iul h GLN 195 N 0.74 0.00 0.00 1.25 3.07 -1.74 -3.00 115.11 115.42 2iul h GLN 195 Ca 0.50 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.97 2iul h GLN 195 Cb 0.78 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.29 2iul h GLN 195 CO -0.26 0.08 -1.60 0.74 0.09 0.00 0.00 178.83 177.89 2iul h PHE 196 N 0.00 0.00 -0.20 0.06 -1.00 -1.45 -3.43 116.94 110.92 2iul h PHE 196 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2iul h PHE 196 Cb 0.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 2iul h PHE 196 CO 0.00 0.93 0.07 -0.92 -1.61 0.00 0.00 178.31 176.78 2iul h TYR 197 N 0.00 0.31 -0.90 -0.55 3.20 -1.35 -2.02 116.97 115.65 2iul h TYR 197 Ca -0.24 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.68 2iul h TYR 197 Cb 1.92 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 40.03 2iul h TYR 197 CO 0.00 0.38 0.56 -1.35 -1.64 0.00 0.00 178.16 176.11 2iul h PRO 198 N 0.15 0.94 -0.53 1.82 0.11 -1.84 -0.16 132.00 132.49 2iul h PRO 198 Ca 0.06 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 2iul h PRO 198 Cb 0.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2iul h PRO 198 CO -0.00 0.62 -0.15 -0.22 -0.21 0.00 0.00 178.00 178.04 2iul h LYS 199 N 0.97 1.03 -0.28 1.05 1.63 -1.83 -1.50 116.57 117.64 2iul h LYS 199 Ca 0.41 -0.40 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 2iul h LYS 199 Cb 0.27 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 2iul h LYS 199 CO -0.21 1.10 -0.14 -0.92 -3.45 0.00 0.00 179.45 175.83 2iul h TYR 200 N 0.91 -0.34 -0.30 1.91 3.20 -0.76 -0.95 116.97 120.63 2iul h TYR 200 Ca 0.13 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.08 2iul h TYR 200 Cb 0.72 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 2iul h TYR 200 CO 0.05 -0.21 0.06 0.28 -1.64 0.00 0.00 178.16 176.69 2iul h VAL 201 N -0.10 0.86 -0.35 1.81 2.07 -0.88 0.25 116.25 119.90 2iul h VAL 201 Ca 0.15 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2iul h VAL 201 Cb 0.33 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2iul h VAL 201 CO -0.35 0.03 0.08 -0.08 0.02 0.00 0.00 177.57 177.27 2iul h GLU 202 N 0.16 0.20 -0.07 1.57 4.81 -0.94 -1.30 114.58 119.01 2iul h GLU 202 Ca 0.14 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.14 2iul h GLU 202 Cb 0.15 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2iul h GLU 202 CO -0.18 0.13 -0.79 -0.07 -0.73 0.00 0.00 179.01 177.37 2iul h LEU 203 N 0.21 0.83 -0.73 1.64 3.38 -0.91 -1.27 115.31 118.46 2iul h LEU 203 Ca 0.17 -0.68 -0.10 0.00 0.09 0.00 0.00 57.88 57.35 2iul h LEU 203 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2iul h LEU 203 CO -0.21 1.39 -0.14 -0.29 0.09 0.00 0.00 178.44 179.28 2iul h ILE 204 N 0.33 1.26 -0.66 1.22 2.10 -0.94 -1.15 117.51 119.67 2iul h ILE 204 Ca -0.08 -1.23 -0.03 0.00 1.08 0.00 0.00 64.86 64.60 2iul h ILE 204 Cb 1.44 1.07 -0.03 0.00 -1.09 0.00 0.00 36.82 38.21 2iul h ILE 204 CO 0.16 0.42 0.28 0.78 -1.08 0.00 0.00 178.15 178.71 2iul h ASN 205 N 0.74 0.89 -0.14 2.19 2.35 -1.23 -1.76 115.58 118.61 2iul h ASN 205 Ca 0.12 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2iul h ASN 205 Cb 0.64 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2iul h ASN 205 CO 0.04 0.80 0.09 -0.61 -1.65 0.00 0.00 177.43 176.11 2iul h GLN 206 N 0.92 0.19 -0.60 0.81 4.15 -0.95 -0.89 115.11 118.75 2iul h GLN 206 Ca 0.22 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.70 2iul h GLN 206 Cb 0.17 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.76 2iul h GLN 206 CO -0.02 0.16 0.28 0.00 -1.93 0.00 0.00 178.83 177.31 2iul h ALA 207 N 1.02 0.79 -0.27 3.38 0.00 -1.16 -0.90 119.26 122.12 2iul h ALA 207 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2iul h ALA 207 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2iul h ALA 207 CO -0.01 -0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.29 2iul h ALA 208 N 1.36 0.33 -0.97 0.00 0.00 -0.96 -2.33 119.26 116.69 2iul h ALA 208 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2iul h ALA 208 Cb 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2iul h ALA 208 CO -0.23 -0.23 0.61 0.00 0.00 0.00 0.00 179.25 179.40 2iul h ARG 209 N 0.32 1.30 0.00 0.00 3.08 -0.88 -1.11 114.38 117.09 2iul h ARG 209 Ca 0.10 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2iul h ARG 209 Cb 0.00 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.77 2iul h ARG 209 CO -0.05 0.89 0.00 1.28 -1.07 0.00 0.00 179.97 181.02 2iul n LEU 210 N -4.36 0.33 -0.91 3.04 4.77 -0.37 -1.95 117.00 117.55 2iul n LEU 210 Ca 0.11 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.77 2iul n LEU 210 Cb 0.04 -0.56 0.20 0.00 -2.33 0.00 0.00 43.42 40.77 2iul n LEU 210 CO 0.38 -0.46 0.66 0.59 -1.33 0.00 0.00 177.39 177.22 2iul n ASN 211 N -1.87 3.21 0.00 -1.43 3.02 -0.58 -4.97 115.26 112.63 2iul n ASN 211 Ca 0.02 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 2iul n ASN 211 Cb 0.17 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2iul n ASN 211 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iul n GLY 212 N 1.01 0.84 3.98 7.41 0.00 -0.82 -4.93 105.19 112.69 2iul n GLY 212 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2iul n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2iul s TYR 213 N -2.08 2.93 0.02 1.61 1.51 -0.53 -4.99 117.35 115.82 2iul s TYR 213 Ca 0.00 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 2iul s TYR 213 Cb 0.00 -2.49 -0.24 0.00 -0.11 0.00 0.00 41.96 39.13 2iul s TYR 213 CO 0.00 -0.56 0.89 0.28 -1.11 0.00 0.00 175.55 175.06 2iul h VAL 214 N 0.39 1.19 -2.70 0.71 2.07 -1.93 -3.28 116.25 112.70 2iul h VAL 214 Ca -0.42 -2.94 0.10 0.00 0.82 0.00 0.00 66.70 64.26 2iul h VAL 214 Cb 1.28 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 33.66 2iul h VAL 214 CO 0.51 0.74 0.41 1.51 0.02 0.00 0.00 177.57 180.76 2iul s ASP 215 N -6.56 -0.09 0.43 0.57 1.47 -1.26 -4.74 116.67 106.49 2iul s ASP 215 Ca -0.05 -0.73 0.09 0.00 1.18 0.00 0.00 52.55 53.04 2iul s ASP 215 Cb 0.08 0.64 0.95 0.00 -0.34 0.00 0.00 42.92 44.25 2iul s ASP 215 CO 0.83 -1.23 2.08 0.00 0.68 0.00 0.00 175.17 177.52 2iul h ALA 216 N 2.00 1.78 -0.39 2.11 0.00 -1.80 -2.10 119.26 120.86 2iul h ALA 216 Ca -0.26 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2iul h ALA 216 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2iul h ALA 216 CO 0.32 0.20 -0.04 0.78 0.00 0.00 0.00 179.25 180.52 2iul h GLY 217 N 0.44 0.77 0.54 0.00 0.00 -1.89 -0.15 103.07 102.77 2iul h GLY 217 Ca 0.12 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 46.89 2iul h GLY 217 CO -0.03 0.54 -0.17 -1.80 0.00 0.00 0.00 176.54 175.09 2iul h ASP 218 N 0.52 -0.50 -0.32 0.19 3.58 -1.86 -0.57 116.42 117.46 2iul h ASP 218 Ca 0.11 0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.70 2iul h ASP 218 Cb 0.53 0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.74 2iul h ASP 218 CO 0.03 -0.23 -0.08 -1.28 -2.88 0.00 0.00 179.24 174.80 2iul h SER 219 N -0.25 -0.30 -0.32 2.28 0.87 -1.16 -2.24 113.55 112.42 2iul h SER 219 Ca 0.07 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2iul h SER 219 Cb 0.35 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2iul h SER 219 CO -0.19 -0.11 0.15 -0.50 -0.53 0.00 0.00 176.83 175.66 2iul h TRP 220 N 0.00 0.46 -0.04 2.24 4.06 -0.78 -2.74 115.95 119.16 2iul h TRP 220 Ca 0.16 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.08 2iul h TRP 220 Cb 0.24 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 2iul h TRP 220 CO -0.30 0.41 0.01 0.00 -3.56 0.00 0.00 178.44 175.00 2iul h ARG 221 N 0.38 0.05 0.00 0.49 3.08 -0.95 -1.84 114.38 115.59 2iul h ARG 221 Ca 0.11 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2iul h ARG 221 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2iul h ARG 221 CO -0.01 0.04 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 2iul h SER 222 N 0.05 0.00 -0.06 7.04 4.64 -1.08 -2.35 113.55 121.79 2iul h SER 222 Ca 0.01 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2iul h SER 222 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2iul h SER 222 CO -0.00 0.00 0.23 0.24 -0.87 0.00 0.00 176.83 176.43 2iul h MET 223 N 0.00 0.00 0.00 4.77 2.86 -1.41 -2.03 114.93 119.12 2iul h MET 223 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2iul h MET 223 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2iul h MET 223 CO 0.00 0.00 -0.77 0.66 1.06 0.00 0.00 176.91 177.86 2iul n TYR 224 N -3.16 0.24 -4.08 -0.22 4.02 -0.88 -4.68 117.16 108.39 2iul n TYR 224 Ca -0.01 0.07 -0.32 0.00 -0.01 0.00 0.00 57.90 57.63 2iul n TYR 224 Cb 0.31 -0.41 -0.01 0.00 -0.02 0.00 0.00 39.34 39.21 2iul n TYR 224 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2iul n GLU 225 N -1.83 -3.69 -3.65 -0.72 1.02 -0.76 -4.83 120.64 106.18 2iul n GLU 225 Ca 0.03 0.43 -0.29 0.00 -0.02 0.00 0.00 57.16 57.31 2iul n GLU 225 Cb 0.40 -5.02 -0.14 0.00 -0.02 0.00 0.00 31.44 26.66 2iul n GLU 225 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2iul s THR 226 N -3.48 0.62 0.39 2.62 2.01 -1.26 -5.00 115.64 111.54 2iul s THR 226 Ca 0.51 -1.45 0.14 0.00 0.31 0.00 0.00 61.69 61.20 2iul s THR 226 Cb -0.27 -1.47 0.35 0.00 0.01 0.00 0.00 72.50 71.11 2iul s THR 226 CO 0.90 -0.76 1.87 -0.65 -0.69 0.00 0.00 174.62 175.28 2iul h PRO 227 N 7.82 0.51 -0.14 4.92 0.11 -1.97 -1.20 132.00 142.06 2iul h PRO 227 Ca -0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2iul h PRO 227 Cb 0.99 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2iul h PRO 227 CO 0.44 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 2iul n SER 228 N -4.53 0.74 -0.13 -2.05 3.41 -1.26 -4.62 113.62 105.18 2iul n SER 228 Ca 0.18 -1.97 -0.07 0.00 -0.26 0.00 0.00 58.87 56.75 2iul n SER 228 Cb 0.57 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 2iul n SER 228 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2iul h LEU 229 N 0.82 -1.06 -0.70 1.04 5.85 -1.63 -0.24 115.31 119.39 2iul h LEU 229 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2iul h LEU 229 Cb 0.19 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2iul h LEU 229 CO 0.00 -0.31 0.45 -0.33 -0.34 0.00 0.00 178.44 177.91 2iul h GLU 230 N -0.23 0.94 -0.33 1.25 5.08 -1.85 -0.58 114.58 118.85 2iul h GLU 230 Ca 0.18 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2iul h GLU 230 Cb 0.53 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2iul h GLU 230 CO -0.55 0.64 -0.39 1.96 -1.00 0.00 0.00 179.01 179.66 2iul h GLN 231 N 0.95 0.85 -0.34 2.33 4.20 -1.81 -1.99 115.11 119.31 2iul h GLN 231 Ca 0.26 -0.47 0.04 0.00 0.06 0.00 0.00 58.65 58.54 2iul h GLN 231 Cb -0.08 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 2iul h GLN 231 CO -0.05 1.11 0.10 -0.44 -0.67 0.00 0.00 178.83 178.88 2iul h ASP 232 N 0.64 0.09 -0.52 1.46 3.32 -0.69 -1.05 116.42 119.67 2iul h ASP 232 Ca 0.05 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2iul h ASP 232 Cb 0.98 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2iul h ASP 232 CO 0.09 0.09 0.08 -0.07 -1.72 0.00 0.00 179.24 177.71 2iul h LEU 233 N 0.24 0.83 -0.56 1.55 3.38 -1.09 -2.17 115.31 117.49 2iul h LEU 233 Ca 0.15 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2iul h LEU 233 Cb 0.14 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2iul h LEU 233 CO -0.17 0.88 0.34 -0.08 0.09 0.00 0.00 178.44 179.50 2iul h GLU 234 N 0.74 0.65 -0.44 1.13 4.57 -1.10 -0.65 114.58 119.48 2iul h GLU 234 Ca 0.16 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2iul h GLU 234 Cb 0.41 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2iul h GLU 234 CO 0.01 0.43 0.24 0.00 -1.18 0.00 0.00 179.01 178.52 2iul h ARG 235 N 0.67 0.48 -0.70 1.92 3.08 -1.00 -0.49 114.38 118.34 2iul h ARG 235 Ca 0.23 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2iul h ARG 235 Cb 0.02 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 2iul h ARG 235 CO -0.10 0.32 0.35 -0.07 -1.07 0.00 0.00 179.97 179.40 2iul h LEU 236 N 0.49 0.91 -0.15 3.04 3.38 -1.14 -1.90 115.31 119.94 2iul h LEU 236 Ca 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2iul h LEU 236 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2iul h LEU 236 CO -0.10 0.77 0.09 0.15 0.09 0.00 0.00 178.44 179.44 2iul h PHE 237 N 0.98 0.19 -0.65 1.13 3.57 -0.78 -2.76 116.94 118.62 2iul h PHE 237 Ca 0.24 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2iul h PHE 237 Cb 0.09 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2iul h PHE 237 CO 0.00 0.17 0.43 1.96 -2.23 0.00 0.00 178.31 178.64 2iul h GLN 238 N 0.16 0.68 -0.02 1.11 1.08 -0.85 -2.05 115.11 115.22 2iul h GLN 238 Ca 0.05 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2iul h GLN 238 Cb 0.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2iul h GLN 238 CO -0.01 0.45 -0.21 0.93 -0.95 0.00 0.00 178.83 179.04 2iul h GLU 239 N 0.70 0.03 -0.07 1.46 5.08 -1.06 -2.71 114.58 118.02 2iul h GLU 239 Ca 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2iul h GLU 239 Cb 0.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2iul h GLU 239 CO -0.08 0.24 0.00 1.28 -1.00 0.00 0.00 179.01 179.45 2iul n LEU 240 N -4.28 1.35 0.08 1.33 4.77 -0.78 -4.42 117.00 115.05 2iul n LEU 240 Ca -0.02 -0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 55.33 2iul n LEU 240 Cb 0.27 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2iul n LEU 240 CO 0.37 0.25 0.79 1.56 -1.33 0.00 0.00 177.39 179.03 2iul h GLN 241 N 1.97 -0.12 -0.94 3.23 1.08 -1.41 -0.73 115.11 118.19 2iul h GLN 241 Ca 0.00 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 2iul h GLN 241 Cb 0.42 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.79 2iul h GLN 241 CO 0.00 0.01 0.56 -1.35 -0.95 0.00 0.00 178.83 177.09 2iul h PRO 242 N -0.23 0.81 -0.05 1.46 0.11 -1.80 0.11 132.00 132.42 2iul h PRO 242 Ca -0.01 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2iul h PRO 242 Cb 0.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2iul h PRO 242 CO 0.02 0.54 -0.05 1.25 -0.21 0.00 0.00 178.00 179.55 2iul h LEU 243 N 0.84 0.13 -0.29 2.35 5.85 -1.81 -2.33 115.31 120.05 2iul h LEU 243 Ca 0.49 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2iul h LEU 243 Cb 0.58 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2iul h LEU 243 CO -0.31 0.59 0.15 0.22 -0.34 0.00 0.00 178.44 178.76 2iul h TYR 244 N -0.33 0.41 -0.98 1.25 3.20 -0.81 -0.88 116.97 118.82 2iul h TYR 244 Ca 0.01 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2iul h TYR 244 Cb 0.56 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 2iul h TYR 244 CO 0.09 0.36 0.65 -0.07 -1.64 0.00 0.00 178.16 177.55 2iul h LEU 245 N 0.34 1.13 -0.65 2.82 3.38 -0.83 0.21 115.31 121.71 2iul h LEU 245 Ca 0.10 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2iul h LEU 245 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2iul h LEU 245 CO -0.01 0.82 -0.22 0.78 0.09 0.00 0.00 178.44 179.89 2iul h ASN 246 N 1.33 0.84 -0.22 -0.43 2.35 -1.26 -0.94 115.58 117.24 2iul h ASN 246 Ca 0.36 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2iul h ASN 246 Cb -0.15 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 2iul h ASN 246 CO -0.08 1.03 -0.03 0.25 -1.65 0.00 0.00 177.43 176.95 2iul h LEU 247 N 0.71 0.42 -0.29 1.61 5.85 -0.64 -2.28 115.31 120.69 2iul h LEU 247 Ca 0.10 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2iul h LEU 247 Cb 0.75 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2iul h LEU 247 CO 0.06 0.67 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.08 2iul h HIS 248 N 0.16 -0.04 -0.68 1.25 2.76 -0.52 -0.20 115.15 117.88 2iul h HIS 248 Ca 0.06 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2iul h HIS 248 Cb 0.47 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 2iul h HIS 248 CO 0.05 -0.06 0.21 0.00 -1.30 0.00 0.00 177.93 176.82 2iul h ALA 249 N 1.26 1.08 -0.10 5.26 0.00 -1.16 0.30 119.26 125.88 2iul h ALA 249 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2iul h ALA 249 Cb 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2iul h ALA 249 CO -0.24 0.63 0.01 -0.92 0.00 0.00 0.00 179.25 178.72 2iul h TYR 250 N 1.01 0.19 -0.65 0.00 3.20 -1.00 -2.43 116.97 117.30 2iul h TYR 250 Ca 0.22 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2iul h TYR 250 Cb 0.29 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2iul h TYR 250 CO 0.02 0.42 0.30 0.28 -1.64 0.00 0.00 178.16 177.53 2iul h VAL 251 N -0.08 1.23 -0.94 1.81 2.07 -0.96 -2.22 116.25 117.16 2iul h VAL 251 Ca 0.03 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2iul h VAL 251 Cb 0.33 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 2iul h VAL 251 CO 0.00 0.27 0.59 -0.09 0.02 0.00 0.00 177.57 178.36 2iul h ARG 252 N 0.90 0.98 -0.51 1.57 2.43 -0.90 0.18 114.38 119.03 2iul h ARG 252 Ca 0.22 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2iul h ARG 252 Cb 0.14 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2iul h ARG 252 CO -0.03 0.65 0.11 -0.09 -1.51 0.00 0.00 179.97 179.10 2iul h ARG 253 N 1.01 0.82 -0.38 0.20 9.65 -1.13 -0.79 114.38 123.77 2iul h ARG 253 Ca 0.43 -0.21 -0.08 0.00 -1.10 0.00 0.00 59.98 59.02 2iul h ARG 253 Cb 0.28 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2iul h ARG 253 CO -0.21 0.80 -0.11 0.00 2.80 0.00 0.00 179.97 183.25 2iul h ALA 254 N 0.99 1.10 -0.50 2.80 0.00 -0.80 -1.18 119.26 121.68 2iul h ALA 254 Ca 0.16 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2iul h ALA 254 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2iul h ALA 254 CO 0.01 0.56 -0.16 -0.07 0.00 0.00 0.00 179.25 179.58 2iul h LEU 255 N 0.61 0.98 -0.36 0.00 3.38 -0.84 -1.97 115.31 117.10 2iul h LEU 255 Ca 0.11 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2iul h LEU 255 Cb 0.54 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2iul h LEU 255 CO 0.03 1.12 0.04 -0.74 0.09 0.00 0.00 178.44 178.98 2iul h HIS 256 N 0.85 0.06 0.05 1.13 2.76 -0.80 0.32 115.15 119.52 2iul h HIS 256 Ca 0.12 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2iul h HIS 256 Cb 0.72 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 2iul h HIS 256 CO 0.05 -0.02 -0.43 0.00 -1.30 0.00 0.00 177.93 176.22 2iul h ARG 257 N 0.15 -0.60 -0.04 5.26 3.08 -1.05 -1.96 114.38 119.22 2iul h ARG 257 Ca 0.18 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 2iul h ARG 257 Cb 0.22 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2iul h ARG 257 CO -0.26 -0.40 -0.25 1.25 -1.07 0.00 0.00 179.97 179.25 2iul h HIS 258 N -0.62 0.33 0.00 3.04 2.76 -1.01 -3.35 115.15 116.30 2iul h HIS 258 Ca 0.03 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2iul h HIS 258 Cb 0.67 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2iul h HIS 258 CO -0.41 0.88 -0.77 0.66 -1.30 0.00 0.00 177.93 177.00 2iul n TYR 259 N -4.51 0.03 0.00 5.26 4.02 0.11 -5.06 117.16 117.01 2iul n TYR 259 Ca -0.09 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2iul n TYR 259 Cb 0.47 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 2iul n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2iul n GLY 260 N 1.48 2.40 0.27 2.72 0.00 -0.73 -4.55 105.19 106.79 2iul n GLY 260 Ca 0.04 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.41 2iul n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iul h ALA 261 N 0.00 1.80 0.00 4.61 0.00 -1.86 -2.10 119.26 121.71 2iul h ALA 261 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2iul h ALA 261 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2iul h ALA 261 CO 0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.31 2iul n GLN 262 N -4.27 0.00 0.00 0.00 1.13 -1.26 -3.63 117.38 109.35 2iul n GLN 262 Ca -0.03 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2iul n GLN 262 Cb 0.10 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.95 2iul n GLN 262 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2iul n HIS 263 N -1.51 0.00 -3.88 1.08 8.25 -0.81 -4.99 115.22 113.37 2iul n HIS 263 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 2iul n HIS 263 Cb 0.23 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.17 2iul n HIS 263 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2iul s ILE 264 N -0.40 0.59 -0.38 1.59 -1.09 -1.12 -4.84 121.20 115.56 2iul s ILE 264 Ca 0.00 -0.04 -0.19 0.00 -2.23 0.00 0.00 60.65 58.19 2iul s ILE 264 Cb 0.00 -0.69 0.01 0.00 -1.58 0.00 0.00 42.46 40.20 2iul s ILE 264 CO 0.00 0.29 0.55 0.21 -1.23 0.00 0.00 174.94 174.76 2iul s ASN 265 N 1.72 6.32 0.00 3.58 3.84 -1.26 -4.76 114.94 124.37 2iul s ASN 265 Ca 0.02 -0.14 0.10 0.00 0.21 0.00 0.00 52.86 53.05 2iul s ASN 265 Cb -0.13 -2.28 0.43 0.00 -0.55 0.00 0.00 41.25 38.72 2iul s ASN 265 CO -0.05 -0.57 1.30 0.18 -2.79 0.00 0.00 177.10 175.17 2iul n LEU 266 N 5.89 0.00 -0.19 3.21 4.77 -1.26 -0.77 117.00 128.64 2iul n LEU 266 Ca -0.04 0.47 0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2iul n LEU 266 Cb 0.48 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2iul n LEU 266 CO 0.48 -0.31 0.56 -0.62 -1.33 0.00 0.00 177.39 176.16 2iul n GLU 267 N -1.47 2.52 -4.72 3.23 1.02 -1.26 -4.62 120.64 115.33 2iul n GLU 267 Ca 0.03 -1.99 -0.32 0.00 -0.02 0.00 0.00 57.16 54.85 2iul n GLU 267 Cb 0.11 -1.25 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 2iul n GLU 267 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iul n GLY 268 N -0.60 3.49 3.77 0.62 0.00 0.05 -2.12 105.19 110.39 2iul n GLY 268 Ca 0.08 -2.33 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 2iul n GLY 268 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iul s PRO 269 N -3.84 2.48 -0.08 1.61 0.04 -1.26 -4.79 135.00 129.16 2iul s PRO 269 Ca 0.04 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 2iul s PRO 269 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2iul s PRO 269 CO 0.03 -1.49 0.61 0.42 0.04 0.00 0.00 177.00 176.61 2iul s ILE 270 N -2.63 5.08 0.19 0.56 1.01 -0.43 -4.68 121.20 120.31 2iul s ILE 270 Ca 0.64 1.25 -0.33 0.00 0.00 0.00 0.00 60.65 62.21 2iul s ILE 270 Cb -0.19 -3.95 -0.13 0.00 0.01 0.00 0.00 42.46 38.20 2iul s ILE 270 CO 0.49 0.30 1.56 -2.65 0.00 0.00 0.00 174.94 174.65 2iul n PRO 271 N 3.61 2.24 0.00 2.79 -0.02 -1.26 -1.65 135.00 140.70 2iul n PRO 271 Ca -0.04 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.31 2iul n PRO 271 Cb 0.51 -2.56 0.31 0.00 -0.02 0.00 0.00 33.50 31.74 2iul n PRO 271 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2iul n ALA 272 N 3.11 1.68 0.76 3.55 0.00 0.03 -2.91 120.51 126.74 2iul n ALA 272 Ca 0.15 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2iul n ALA 272 Cb 0.30 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 18.76 2iul n ALA 272 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2iul n HIS 273 N -1.41 0.25 -0.16 0.00 1.44 -1.26 -4.33 115.22 109.76 2iul n HIS 273 Ca 0.05 -0.13 0.09 0.00 -2.01 0.00 0.00 57.72 55.72 2iul n HIS 273 Cb 0.13 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.47 2iul n HIS 273 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2iul n LEU 274 N 1.20 3.35 -1.03 2.39 4.77 -1.15 -4.57 117.00 121.97 2iul n LEU 274 Ca 0.17 -1.88 0.10 0.00 -0.03 0.00 0.00 56.01 54.37 2iul n LEU 274 Cb 0.55 -0.32 0.22 0.00 -2.33 0.00 0.00 43.42 41.54 2iul n LEU 274 CO 0.15 0.82 0.68 0.18 -1.33 0.00 0.00 177.39 177.89 2iul n LEU 275 N 1.09 3.36 0.00 2.23 7.99 -1.26 -4.95 117.00 125.46 2iul n LEU 275 Ca 0.17 -1.74 0.00 0.00 -0.01 0.00 0.00 56.01 54.44 2iul n LEU 275 Cb 0.52 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 2iul n LEU 275 CO 0.12 0.79 0.00 0.61 -1.51 0.00 0.00 177.39 177.40 2iul n GLY 276 N 1.23 0.76 3.09 -0.72 0.00 -1.25 -4.23 105.19 104.07 2iul n GLY 276 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2iul n GLY 276 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2iul s ASN 277 N -2.53 -0.19 0.39 1.61 3.84 -1.26 -3.15 114.94 113.65 2iul s ASN 277 Ca 0.00 0.35 0.14 0.00 0.21 0.00 0.00 52.86 53.56 2iul s ASN 277 Cb 0.00 0.40 0.98 0.00 -0.55 0.00 0.00 41.25 42.08 2iul s ASN 277 CO 0.00 -0.11 1.85 -0.03 -2.79 0.00 0.00 177.10 176.02 2iul h MET 278 N 5.61 0.50 -0.23 0.43 1.85 -1.91 -1.86 114.93 119.32 2iul h MET 278 Ca -0.26 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 2iul h MET 278 Cb 1.19 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.11 2iul h MET 278 CO 0.38 0.33 0.00 0.91 -0.40 0.00 0.00 176.91 178.13 2iul n TRP 279 N -4.55 0.29 -3.41 1.39 8.01 -1.26 -4.95 117.44 112.95 2iul n TRP 279 Ca 0.19 -0.23 -0.23 0.00 -1.31 0.00 0.00 57.50 55.93 2iul n TRP 279 Cb 0.63 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.90 2iul n TRP 279 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2iul n ALA 280 N 0.88 -1.07 0.08 6.99 0.00 -0.70 -4.86 120.51 121.82 2iul n ALA 280 Ca 0.12 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.64 2iul n ALA 280 Cb 0.43 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 2iul n ALA 280 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2iul h GLN 281 N -0.82 0.00 -3.76 0.00 3.07 -1.90 -3.45 115.11 108.24 2iul h GLN 281 Ca -0.40 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.12 2iul h GLN 281 Cb 1.27 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 28.56 2iul h GLN 281 CO 0.52 0.21 -0.71 0.95 0.09 0.00 0.00 178.83 179.88 2iul s THR 282 N -3.08 0.02 -0.45 1.86 -4.23 -1.26 -2.69 115.64 105.81 2iul s THR 282 Ca -0.01 -0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 2iul s THR 282 Cb 0.09 -0.06 0.14 0.00 1.34 0.00 0.00 72.50 74.00 2iul s THR 282 CO 0.79 -0.09 1.09 0.79 -0.54 0.00 0.00 174.62 176.66 2iul n TRP 283 N 2.80 0.20 0.30 3.99 8.01 0.15 -4.33 117.44 128.57 2iul n TRP 283 Ca -0.14 -0.46 0.19 0.00 -1.31 0.00 0.00 57.50 55.77 2iul n TRP 283 Cb 0.59 -0.04 0.87 0.00 -2.01 0.00 0.00 31.31 30.72 2iul n TRP 283 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2iul h SER 284 N 0.95 0.00 0.79 -0.99 4.64 -1.79 -2.53 113.55 114.63 2iul h SER 284 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iul h SER 284 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2iul h SER 284 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 2iul n ASN 285 N -3.02 0.25 -1.65 4.97 3.02 -1.26 -2.20 115.26 115.37 2iul n ASN 285 Ca -0.01 0.55 0.08 0.00 -0.03 0.00 0.00 54.58 55.17 2iul n ASN 285 Cb 0.21 -0.61 0.37 0.00 -0.61 0.00 0.00 39.78 39.14 2iul n ASN 285 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2iul n ILE 286 N -1.76 2.57 -0.28 2.41 -5.35 -0.95 -4.61 119.36 111.38 2iul n ILE 286 Ca 0.04 -1.48 0.10 0.00 -0.27 0.00 0.00 62.75 61.14 2iul n ILE 286 Cb 0.26 -0.22 0.24 0.00 -1.74 0.00 0.00 39.64 38.17 2iul n ILE 286 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2iul h TYR 287 N 3.55 0.27 -0.75 4.28 3.20 -1.59 -0.09 116.97 125.83 2iul h TYR 287 Ca 0.00 0.05 0.19 0.00 3.14 0.00 0.00 58.73 62.11 2iul h TYR 287 Cb 1.81 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 40.05 2iul h TYR 287 CO 0.94 -0.18 0.52 0.38 -1.64 0.00 0.00 178.16 178.17 2iul h ASP 288 N 0.21 0.20 1.44 -2.11 2.03 -1.86 -0.38 116.42 115.95 2iul h ASP 288 Ca 0.49 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 2iul h ASP 288 Cb 0.94 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 2iul h ASP 288 CO -0.62 0.09 -0.20 -0.07 -1.03 0.00 0.00 179.24 177.41 2iul h LEU 289 N 0.21 0.00 -1.60 0.15 3.38 -1.37 -3.37 115.31 112.70 2iul h LEU 289 Ca 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2iul h LEU 289 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2iul h LEU 289 CO -0.07 0.02 0.00 1.33 0.09 0.00 0.00 178.44 179.81 2iul n VAL 290 N -2.46 0.36 -1.70 1.22 0.24 -0.30 -4.83 118.33 110.87 2iul n VAL 290 Ca 0.04 -0.55 -0.64 0.00 -2.04 0.00 0.00 64.34 61.15 2iul n VAL 290 Cb 0.46 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.69 2iul n VAL 290 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2iul n VAL 291 N -0.18 0.11 -0.17 3.34 0.31 -0.36 -4.86 118.33 116.51 2iul n VAL 291 Ca 0.00 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.25 2iul n VAL 291 Cb 0.19 -0.78 0.04 0.00 -0.91 0.00 0.00 33.84 32.38 2iul n VAL 291 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2iul h PRO 292 N 6.21 0.58 -2.98 5.55 0.11 -1.90 -3.37 132.00 136.20 2iul h PRO 292 Ca -0.42 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.04 2iul h PRO 292 Cb 1.35 -0.13 -0.41 0.00 0.11 0.00 0.00 31.00 31.93 2iul h PRO 292 CO 0.98 0.38 -0.69 -0.06 -0.21 0.00 0.00 178.00 178.41 2iul s PHE 293 N -6.14 2.76 0.16 0.65 0.40 -1.26 -4.95 117.98 109.60 2iul s PHE 293 Ca -0.13 -2.96 0.33 0.00 -0.60 0.00 0.00 56.93 53.57 2iul s PHE 293 Cb 0.13 -2.24 1.70 0.00 0.51 0.00 0.00 43.02 43.12 2iul s PHE 293 CO 0.74 -0.67 2.00 -1.00 0.70 0.00 0.00 175.22 176.99 2iul h PRO 294 N 5.86 0.00 0.00 0.24 0.13 -1.98 -0.65 132.00 135.60 2iul h PRO 294 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2iul h PRO 294 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2iul h PRO 294 CO 0.61 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.04 2iul h SER 295 N 0.00 0.00 -3.62 1.44 4.64 -1.96 -3.34 113.55 110.71 2iul h SER 295 Ca 0.00 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.56 2iul h SER 295 Cb 0.10 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.89 2iul h SER 295 CO 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 176.83 176.13 2iul s ALA 296 N -3.38 4.38 0.45 5.18 0.00 -0.25 -5.07 121.76 123.08 2iul s ALA 296 Ca 0.05 -3.69 -0.22 0.00 0.00 0.00 0.00 51.96 48.10 2iul s ALA 296 Cb 0.09 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 2iul s ALA 296 CO 0.51 -2.20 1.04 -1.25 0.00 0.00 0.00 175.76 173.86 2iul s PRO 297 N -0.89 3.96 0.18 0.00 0.04 -1.26 -4.91 135.00 132.12 2iul s PRO 297 Ca 0.26 1.42 0.10 0.00 0.04 0.00 0.00 61.00 62.81 2iul s PRO 297 Cb -0.10 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2iul s PRO 297 CO -0.09 -0.30 -0.14 -1.54 0.04 0.00 0.00 177.00 174.97 2iul s SER 298 N -1.81 3.98 0.43 6.66 1.04 -1.26 -5.09 113.70 117.65 2iul s SER 298 Ca 0.63 -0.67 -0.25 0.00 0.48 0.00 0.00 55.95 56.14 2iul s SER 298 Cb -0.18 -0.57 -0.08 0.00 0.10 0.00 0.00 66.02 65.29 2iul s SER 298 CO 0.23 0.11 1.31 -0.04 0.98 0.00 0.00 173.24 175.83 2iul s MET 299 N -2.76 3.81 -0.62 4.02 -1.94 -1.26 -4.92 119.30 115.63 2iul s MET 299 Ca 0.23 2.17 -0.26 0.00 -1.71 0.00 0.00 55.69 56.12 2iul s MET 299 Cb -0.09 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 2iul s MET 299 CO 0.13 -0.63 2.05 0.34 -0.01 0.00 0.00 175.02 176.91 2iul s ASP 300 N -0.79 4.94 0.23 3.03 -1.08 -1.26 -4.84 116.67 116.90 2iul s ASP 300 Ca 0.60 0.41 -0.03 0.00 -0.52 0.00 0.00 52.55 53.01 2iul s ASP 300 Cb -0.38 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 38.78 2iul s ASP 300 CO 0.48 -2.65 1.66 0.71 0.52 0.00 0.00 175.17 175.89 2iul h THR 301 N 7.20 1.27 -0.20 1.71 1.35 -1.92 -0.38 112.91 121.94 2iul h THR 301 Ca -0.20 -1.29 -0.01 0.00 -0.55 0.00 0.00 66.41 64.36 2iul h THR 301 Cb 1.16 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 2iul h THR 301 CO 1.19 0.43 0.08 0.74 -0.25 0.00 0.00 175.52 177.71 2iul h THR 302 N 0.65 1.17 -0.78 6.82 2.02 -1.90 0.21 112.91 121.10 2iul h THR 302 Ca 0.09 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2iul h THR 302 Cb 0.69 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 2iul h THR 302 CO 0.05 0.16 0.32 -0.33 0.37 0.00 0.00 175.52 176.10 2iul h GLU 303 N 0.18 1.15 -0.22 6.66 4.39 -1.90 0.14 114.58 124.97 2iul h GLU 303 Ca 0.07 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.59 2iul h GLU 303 Cb 0.18 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2iul h GLU 303 CO -0.01 0.92 0.11 0.00 -1.16 0.00 0.00 179.01 178.87 2iul h ALA 304 N 1.23 0.26 -0.39 3.43 0.00 -0.77 0.32 119.26 123.34 2iul h ALA 304 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2iul h ALA 304 Cb 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2iul h ALA 304 CO -0.02 -0.30 0.19 0.52 0.00 0.00 0.00 179.25 179.64 2iul h MET 305 N 0.23 0.56 -0.06 0.00 2.86 -0.05 -1.61 114.93 116.86 2iul h MET 305 Ca 0.09 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2iul h MET 305 Cb 0.02 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2iul h MET 305 CO -0.06 0.48 0.02 -0.07 1.06 0.00 0.00 176.91 178.34 2iul h LEU 306 N 0.49 0.10 -0.87 1.22 3.38 -0.60 0.12 115.31 119.14 2iul h LEU 306 Ca 0.13 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2iul h LEU 306 Cb 0.10 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2iul h LEU 306 CO -0.02 0.29 0.53 0.50 0.09 0.00 0.00 178.44 179.83 2iul h LYS 307 N -0.10 0.92 -0.00 1.13 3.64 -0.31 -1.87 116.57 119.97 2iul h LYS 307 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2iul h LYS 307 Cb 0.23 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2iul h LYS 307 CO -0.00 0.61 -0.02 1.04 -2.27 0.00 0.00 179.45 178.80 2iul n GLN 308 N -4.64 0.99 -2.26 1.90 6.02 -0.61 -4.91 117.38 113.87 2iul n GLN 308 Ca 0.13 -0.21 -0.03 0.00 -0.01 0.00 0.00 57.00 56.88 2iul n GLN 308 Cb 0.21 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2iul n GLN 308 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2iul n GLY 309 N 1.12 0.42 3.76 1.08 0.00 -0.70 -5.02 105.19 105.84 2iul n GLY 309 Ca 0.20 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2iul n GLY 309 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2iul s TRP 310 N -2.45 2.96 0.37 1.61 0.52 0.37 -5.02 118.94 117.29 2iul s TRP 310 Ca 0.03 1.25 0.09 0.00 0.02 0.00 0.00 56.10 57.49 2iul s TRP 310 Cb -0.01 -3.78 -0.07 0.00 -1.15 0.00 0.00 33.47 28.46 2iul s TRP 310 CO 0.03 -2.30 -0.06 0.95 0.02 0.00 0.00 176.95 175.59 2iul s THR 311 N -0.78 2.14 0.27 2.01 -4.23 -1.26 -4.77 115.64 109.02 2iul s THR 311 Ca 0.53 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2iul s THR 311 Cb -0.42 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 70.92 2iul s THR 311 CO 0.52 -0.13 1.68 -0.65 -0.54 0.00 0.00 174.62 175.50 2iul h PRO 312 N 1.94 0.29 -0.71 3.99 0.11 -1.90 -2.12 132.00 133.60 2iul h PRO 312 Ca -0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2iul h PRO 312 Cb 1.25 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2iul h PRO 312 CO 0.74 0.19 0.43 -0.09 -0.21 0.00 0.00 178.00 179.06 2iul h ARG 313 N 0.30 0.96 -0.86 1.05 2.43 -1.96 -2.27 114.38 114.03 2iul h ARG 313 Ca 0.49 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.58 2iul h ARG 313 Cb 0.89 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2iul h ARG 313 CO -0.55 0.68 0.57 -0.09 -1.51 0.00 0.00 179.97 179.07 2iul h ARG 314 N 0.97 1.14 -0.58 0.20 9.65 -1.87 -0.69 114.38 123.20 2iul h ARG 314 Ca 0.25 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2iul h ARG 314 Cb -0.03 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.26 2iul h ARG 314 CO -0.05 0.75 0.37 0.52 2.80 0.00 0.00 179.97 184.37 2iul h MET 315 N 1.17 0.77 -0.10 0.20 2.86 -0.84 -0.30 114.93 118.69 2iul h MET 315 Ca 0.32 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.75 2iul h MET 315 Cb -0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.35 2iul h MET 315 CO -0.07 0.53 -0.59 0.74 1.06 0.00 0.00 176.91 178.59 2iul h PHE 316 N 0.78 0.43 -0.69 -0.22 -1.00 -1.23 -2.50 116.94 112.51 2iul h PHE 316 Ca 0.21 -0.16 -0.07 0.00 2.81 0.00 0.00 57.97 60.76 2iul h PHE 316 Cb -0.06 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 2iul h PHE 316 CO -0.03 0.84 0.16 0.87 -1.61 0.00 0.00 178.31 178.54 2iul h LYS 317 N 0.25 1.12 -0.67 1.51 1.79 -0.75 -0.13 116.57 119.69 2iul h LYS 317 Ca -0.00 -0.28 -0.08 0.00 -2.18 0.00 0.00 60.65 58.11 2iul h LYS 317 Cb 1.10 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 2iul h LYS 317 CO 0.10 0.99 0.10 0.93 -1.08 0.00 0.00 179.45 180.49 2iul h GLU 318 N 1.05 1.11 -0.15 3.15 4.39 -0.98 -0.34 114.58 122.80 2iul h GLU 318 Ca 0.22 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2iul h GLU 318 Cb 0.39 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2iul h GLU 318 CO 0.00 1.02 0.10 0.00 -1.16 0.00 0.00 179.01 178.97 2iul h ALA 319 N 1.06 0.20 -0.84 3.43 0.00 -1.28 -1.83 119.26 120.00 2iul h ALA 319 Ca 0.20 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.19 2iul h ALA 319 Cb 0.45 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2iul h ALA 319 CO 0.01 -0.31 0.48 0.22 0.00 0.00 0.00 179.25 179.65 2iul h ASP 320 N 0.20 0.69 -0.76 0.00 3.58 -0.77 -1.93 116.42 117.42 2iul h ASP 320 Ca 0.06 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 2iul h ASP 320 Cb -0.01 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2iul h ASP 320 CO -0.01 0.39 0.34 -0.78 -2.88 0.00 0.00 179.24 176.30 2iul h ASP 321 N 0.80 1.01 -0.08 2.28 1.82 -0.82 -1.78 116.42 119.65 2iul h ASP 321 Ca 0.41 -0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2iul h ASP 321 Cb 0.38 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.13 2iul h ASP 321 CO -0.25 0.88 0.04 0.15 -1.61 0.00 0.00 179.24 178.45 2iul h PHE 322 N 1.08 0.11 -0.28 0.28 3.57 -0.61 0.21 116.94 121.30 2iul h PHE 322 Ca 0.26 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2iul h PHE 322 Cb 0.15 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 2iul h PHE 322 CO 0.01 0.16 -0.05 0.74 -2.23 0.00 0.00 178.31 176.94 2iul h PHE 323 N 0.04 -0.12 -0.01 0.41 -1.00 -1.23 -2.58 116.94 112.44 2iul h PHE 323 Ca 0.03 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.77 2iul h PHE 323 Cb 0.08 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2iul h PHE 323 CO -0.04 -0.11 -0.32 1.79 -1.61 0.00 0.00 178.31 178.02 2iul h THR 324 N 0.02 1.23 -0.05 -1.55 1.35 -1.19 -1.94 112.91 110.79 2iul h THR 324 Ca 0.14 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 2iul h THR 324 Cb 0.20 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2iul h THR 324 CO -0.28 0.32 0.00 0.77 -0.25 0.00 0.00 175.52 176.08 2iul h SER 325 N 0.01 0.06 0.23 5.36 4.64 -0.55 -0.20 113.55 123.09 2iul h SER 325 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iul h SER 325 Cb 0.57 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2iul h SER 325 CO 0.04 0.07 -0.03 0.18 -0.87 0.00 0.00 176.83 176.22 2iul n LEU 326 N -4.50 0.26 0.00 5.97 4.77 -0.83 -3.94 117.00 118.74 2iul n LEU 326 Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2iul n LEU 326 Cb 0.11 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2iul n LEU 326 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2iul n GLY 327 N 1.16 0.63 3.94 -0.72 0.00 -0.09 -3.75 105.19 106.37 2iul n GLY 327 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2iul n GLY 327 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iul s LEU 328 N 0.00 2.79 0.27 0.99 1.43 -0.79 -4.99 118.68 118.38 2iul s LEU 328 Ca 0.00 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2iul s LEU 328 Cb 0.00 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.64 2iul s LEU 328 CO 0.00 -2.18 0.99 -0.76 0.23 0.00 0.00 176.35 174.63 2iul s LEU 329 N -5.52 4.56 0.54 1.79 1.43 -1.26 -4.10 118.68 116.10 2iul s LEU 329 Ca 0.68 2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 55.63 2iul s LEU 329 Cb -0.06 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 2iul s LEU 329 CO 0.48 0.02 1.03 -2.16 0.23 0.00 0.00 176.35 175.95 2iul s PRO 330 N -1.43 3.67 0.39 1.29 0.04 -1.26 -4.63 135.00 133.06 2iul s PRO 330 Ca 0.44 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 62.39 2iul s PRO 330 Cb -0.26 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 2iul s PRO 330 CO 0.33 -0.52 1.19 0.14 0.04 0.00 0.00 177.00 178.18 2iul s VAL 331 N -2.37 3.08 0.78 -0.36 -7.23 -1.26 -5.01 120.40 108.03 2iul s VAL 331 Ca 0.63 0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 61.61 2iul s VAL 331 Cb -0.14 -3.53 0.07 0.00 0.56 0.00 0.00 36.38 33.34 2iul s VAL 331 CO 0.30 0.10 1.13 -2.84 -0.31 0.00 0.00 175.10 173.47 2iul s PRO 332 N -2.24 2.00 0.31 4.82 0.02 -1.26 -4.90 135.00 133.75 2iul s PRO 332 Ca 0.56 1.39 0.08 0.00 0.02 0.00 0.00 61.00 63.06 2iul s PRO 332 Cb -0.32 -1.85 0.83 0.00 0.02 0.00 0.00 34.50 33.18 2iul s PRO 332 CO 0.40 -1.87 1.75 -1.35 -0.33 0.00 0.00 177.00 175.60 2iul h PRO 333 N -1.01 0.64 -0.97 5.54 0.11 -1.95 -1.56 132.00 132.79 2iul h PRO 333 Ca -0.45 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 65.83 2iul h PRO 333 Cb 1.25 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 2iul h PRO 333 CO 0.49 0.42 0.61 1.49 -0.21 0.00 0.00 178.00 180.80 2iul h GLU 334 N 0.66 0.57 -0.43 1.05 4.81 -1.91 -2.26 114.58 117.07 2iul h GLU 334 Ca 0.62 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.88 2iul h GLU 334 Cb 1.10 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 2iul h GLU 334 CO -0.44 0.38 0.08 0.35 -0.73 0.00 0.00 179.01 178.66 2iul h PHE 335 N 0.59 0.13 -0.15 0.92 3.57 -1.46 -0.92 116.94 119.62 2iul h PHE 335 Ca 0.53 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.97 2iul h PHE 335 Cb 1.06 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2iul h PHE 335 CO -0.00 0.00 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.30 2iul h TRP 336 N 0.21 0.33 -0.15 0.41 4.06 -1.51 -1.67 115.95 117.63 2iul h TRP 336 Ca 0.21 -0.07 -0.15 0.00 2.06 0.00 0.00 58.89 60.94 2iul h TRP 336 Cb 0.27 -0.08 0.01 0.00 -1.00 0.00 0.00 29.16 28.35 2iul h TRP 336 CO -0.21 0.56 -0.50 1.96 -3.56 0.00 0.00 178.44 176.69 2iul h GLN 337 N 0.26 0.59 0.00 0.49 4.20 -1.31 -3.38 115.11 115.96 2iul h GLN 337 Ca 0.04 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.25 2iul h GLN 337 Cb 0.66 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2iul h GLN 337 CO 0.05 1.07 -2.02 1.63 -0.67 0.00 0.00 178.83 178.88 2iul n LYS 338 N -4.20 0.66 -1.73 1.46 5.02 -0.40 -4.99 118.16 113.98 2iul n LYS 338 Ca -0.07 -0.16 -0.35 0.00 -2.02 0.00 0.00 58.31 55.71 2iul n LYS 338 Cb 0.59 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 2iul n LYS 338 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2iul s SER 339 N -4.69 4.76 -0.57 4.39 0.01 -0.63 -4.97 113.70 112.00 2iul s SER 339 Ca -0.08 2.33 -0.08 0.00 1.31 0.00 0.00 55.95 59.43 2iul s SER 339 Cb 0.13 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.92 2iul s SER 339 CO 0.90 -1.88 0.43 -0.32 0.41 0.00 0.00 173.24 172.77 2iul s MET 340 N -3.68 2.65 0.00 12.44 1.75 -0.38 -4.94 119.30 127.14 2iul s MET 340 Ca 0.75 -2.11 0.25 0.00 -1.25 0.00 0.00 55.69 53.32 2iul s MET 340 Cb -0.29 -3.92 0.41 0.00 2.84 0.00 0.00 34.83 33.87 2iul s MET 340 CO 0.39 -1.20 1.38 1.28 -0.65 0.00 0.00 175.02 176.23 2iul n LEU 341 N 4.31 2.71 -3.68 4.11 4.77 -1.26 -0.40 117.00 127.56 2iul n LEU 341 Ca 0.01 -0.95 -0.11 0.00 -0.03 0.00 0.00 56.01 54.93 2iul n LEU 341 Cb 0.41 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2iul n LEU 341 CO 0.38 0.47 0.12 -1.83 -1.33 0.00 0.00 177.39 175.21 2iul s GLU 342 N -1.93 0.96 0.15 3.23 -1.05 -0.88 -3.53 118.70 115.66 2iul s GLU 342 Ca 0.31 -0.56 -0.32 0.00 -0.15 0.00 0.00 54.97 54.25 2iul s GLU 342 Cb 0.20 0.42 -0.12 0.00 -0.44 0.00 0.00 34.13 34.20 2iul s GLU 342 CO 0.31 -0.35 1.77 1.17 0.95 0.00 0.00 175.26 179.11 2iul n LYS 343 N 0.17 2.70 -2.09 -4.83 4.81 -1.26 -4.76 118.16 112.90 2iul n LYS 343 Ca -0.17 0.98 -0.36 0.00 -0.87 0.00 0.00 58.31 57.88 2iul n LYS 343 Cb 0.62 -2.84 0.02 0.00 0.02 0.00 0.00 35.03 32.84 2iul n LYS 343 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2iul s PRO 344 N 2.03 3.26 0.00 1.64 0.02 -1.26 -4.96 135.00 135.72 2iul s PRO 344 Ca 0.79 1.82 0.07 0.00 0.02 0.00 0.00 61.00 63.70 2iul s PRO 344 Cb -0.52 -2.10 0.19 0.00 0.02 0.00 0.00 34.50 32.09 2iul s PRO 344 CO 0.36 -0.98 1.15 0.25 -0.33 0.00 0.00 177.00 177.45 2iul n THR 345 N -1.20 0.99 0.37 0.99 -2.24 -1.26 -4.62 114.28 107.31 2iul n THR 345 Ca 0.11 -1.00 0.07 0.00 -2.27 0.00 0.00 64.05 60.96 2iul n THR 345 Cb 0.49 0.51 0.21 0.00 -2.10 0.00 0.00 70.33 69.44 2iul n THR 345 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2iul n ASP 346 N 0.12 2.80 0.00 3.42 5.68 -1.26 -4.90 116.55 122.42 2iul n ASP 346 Ca 0.07 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2iul n ASP 346 Cb 0.36 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2iul n ASP 346 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iul n GLY 347 N 1.03 0.77 3.77 6.12 0.00 -1.26 -5.05 105.19 110.57 2iul n GLY 347 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2iul n GLY 347 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iul s ARG 348 N -0.72 4.21 -0.08 1.61 0.52 -1.26 -5.02 118.95 118.21 2iul s ARG 348 Ca 0.00 2.43 -0.18 0.00 -0.52 0.00 0.00 55.73 57.46 2iul s ARG 348 Cb 0.00 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 2iul s ARG 348 CO 0.00 -0.41 0.47 -2.00 0.02 0.00 0.00 175.30 173.38 2iul s GLU 349 N -1.77 4.26 0.16 3.54 2.56 -1.26 -4.87 118.70 121.32 2iul s GLU 349 Ca 0.52 0.46 0.02 0.00 0.00 0.00 0.00 54.97 55.97 2iul s GLU 349 Cb -0.44 -3.38 -0.05 0.00 2.00 0.00 0.00 34.13 32.26 2iul s GLU 349 CO 0.57 0.29 -0.02 0.14 -0.56 0.00 0.00 175.26 175.67 2iul s VAL 350 N 0.20 0.76 -0.51 3.70 -7.23 -1.26 0.19 120.40 116.25 2iul s VAL 350 Ca 0.26 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 2iul s VAL 350 Cb -0.16 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2iul s VAL 350 CO 0.11 -0.57 0.98 -0.69 -0.31 0.00 0.00 175.10 174.62 2iul s VAL 351 N -3.60 4.37 0.12 1.32 1.01 0.58 -4.87 120.40 119.34 2iul s VAL 351 Ca 0.21 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.89 2iul s VAL 351 Cb 0.05 -4.52 -0.16 0.00 0.00 0.00 0.00 36.38 31.76 2iul s VAL 351 CO 0.02 -1.02 1.35 0.00 0.00 0.00 0.00 175.10 175.46 2iul n HIS 353 N -3.41 1.91 -1.71 0.00 -0.00 -1.26 -2.62 115.22 108.13 2iul n HIS 353 Ca -0.00 0.44 -0.43 0.00 0.46 0.00 0.00 57.72 58.19 2iul n HIS 353 Cb 0.87 -2.45 -0.03 0.00 -0.12 0.00 0.00 29.99 28.26 2iul n HIS 353 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2iul n ALA 354 N 3.58 2.13 -3.23 1.57 0.00 -1.26 -4.74 120.51 118.56 2iul n ALA 354 Ca 0.19 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 2iul n ALA 354 Cb 0.22 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 2iul n ALA 354 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2iul s SER 355 N 0.74 -0.35 0.01 0.00 1.04 -0.34 -5.01 113.70 109.79 2iul s SER 355 Ca 0.71 0.09 0.06 0.00 0.48 0.00 0.00 55.95 57.29 2iul s SER 355 Cb -0.56 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 2iul s SER 355 CO 0.42 -0.67 -0.17 0.00 0.98 0.00 0.00 173.24 173.79 2iul s ALA 356 N -2.37 2.61 -0.08 5.32 0.00 -1.26 -0.81 121.76 125.16 2iul s ALA 356 Ca -0.06 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2iul s ALA 356 Cb -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2iul s ALA 356 CO -0.01 0.57 -0.10 -1.58 0.00 0.00 0.00 175.76 174.63 2iul s TRP 357 N -0.86 1.45 -0.26 0.00 0.52 0.45 -5.01 118.94 115.23 2iul s TRP 357 Ca 0.14 -0.61 -0.08 0.00 0.02 0.00 0.00 56.10 55.57 2iul s TRP 357 Cb -0.11 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.07 2iul s TRP 357 CO 0.04 -0.37 0.09 0.34 0.02 0.00 0.00 176.95 177.07 2iul s ASP 358 N 1.06 5.27 -0.03 2.95 -1.08 -1.26 -1.92 116.67 121.67 2iul s ASP 358 Ca -0.07 -0.21 0.14 0.00 -0.52 0.00 0.00 52.55 51.89 2iul s ASP 358 Cb -0.15 -1.95 0.44 0.00 -1.46 0.00 0.00 42.92 39.81 2iul s ASP 358 CO -0.01 -0.05 1.35 0.49 0.52 0.00 0.00 175.17 177.47 2iul n PHE 359 N 4.94 0.78 -3.00 -5.34 3.01 -0.85 -4.96 117.46 112.05 2iul n PHE 359 Ca -0.16 -0.35 -0.22 0.00 1.01 0.00 0.00 57.45 57.74 2iul n PHE 359 Cb 0.51 -0.07 0.02 0.00 -0.01 0.00 0.00 39.48 39.93 2iul n PHE 359 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2iul n TYR 360 N 0.81 -1.78 -0.16 1.38 4.02 -1.26 -4.10 117.16 116.07 2iul n TYR 360 Ca 0.16 0.41 0.00 0.00 -0.01 0.00 0.00 57.90 58.47 2iul n TYR 360 Cb 0.49 -3.87 0.00 0.00 -0.02 0.00 0.00 39.34 35.94 2iul n TYR 360 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2iul n ASN 361 N -2.35 1.18 -0.21 7.72 0.23 -1.26 -4.78 115.26 115.79 2iul n ASN 361 Ca -0.10 -1.34 -0.03 0.00 -0.53 0.00 0.00 54.58 52.58 2iul n ASN 361 Cb 0.60 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.29 2iul n ASN 361 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2iul n GLY 362 N -0.17 0.50 0.00 4.83 0.00 -1.26 -4.76 105.19 104.33 2iul n GLY 362 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2iul n GLY 362 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2iul n LYS 363 N -1.45 0.11 -3.49 1.61 4.01 -1.26 -5.04 118.16 112.66 2iul n LYS 363 Ca -0.03 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.35 2iul n LYS 363 Cb 0.27 -0.65 -0.09 0.00 -0.51 0.00 0.00 35.03 34.06 2iul n LYS 363 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2iul s ASP 364 N -3.13 5.91 -0.03 4.39 -1.08 -1.26 -4.84 116.67 116.62 2iul s ASP 364 Ca 0.00 -1.41 0.03 0.00 -0.52 0.00 0.00 52.55 50.65 2iul s ASP 364 Cb 0.00 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 2iul s ASP 364 CO 0.00 -0.59 -0.12 -0.36 0.52 0.00 0.00 175.17 174.62 2iul s PHE 365 N 1.54 1.18 0.03 -5.34 0.40 -1.26 -2.00 117.98 112.53 2iul s PHE 365 Ca 0.04 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2iul s PHE 365 Cb -0.24 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 2iul s PHE 365 CO 0.04 -0.11 -0.04 1.03 0.70 0.00 0.00 175.22 176.85 2iul s ARG 366 N 0.11 0.37 -0.05 0.44 0.52 -0.81 -4.26 118.95 115.27 2iul s ARG 366 Ca -0.03 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2iul s ARG 366 Cb -0.09 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.41 2iul s ARG 366 CO 0.01 -0.04 -0.06 0.42 0.02 0.00 0.00 175.30 175.65 2iul s ILE 367 N -1.71 3.78 -0.26 1.52 1.01 -1.26 -0.41 121.20 123.87 2iul s ILE 367 Ca -0.13 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.02 2iul s ILE 367 Cb -0.08 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.87 2iul s ILE 367 CO -0.02 0.54 -0.10 -0.75 0.00 0.00 0.00 174.94 174.61 2iul s LYS 368 N -1.01 2.13 -0.18 2.79 2.20 0.01 -1.25 119.74 124.43 2iul s LYS 368 Ca 0.14 -1.33 -0.11 0.00 -0.36 0.00 0.00 55.97 54.31 2iul s LYS 368 Cb -0.11 -2.87 0.06 0.00 -1.51 0.00 0.00 37.83 33.40 2iul s LYS 368 CO 0.04 -0.59 0.44 -1.14 -0.36 0.00 0.00 175.35 173.74 2iul s GLN 369 N 1.13 0.44 -1.35 4.03 0.74 0.46 -1.20 119.66 123.91 2iul s GLN 369 Ca -0.08 0.82 -0.12 0.00 0.05 0.00 0.00 55.36 56.03 2iul s GLN 369 Cb -0.20 0.02 0.11 0.00 1.10 0.00 0.00 33.01 34.04 2iul s GLN 369 CO -0.05 -0.15 1.99 0.00 -0.55 0.00 0.00 175.29 176.53 2iul s THR 371 N 1.87 2.68 0.01 0.00 2.01 -1.23 -4.74 115.64 116.24 2iul s THR 371 Ca 0.44 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.95 2iul s THR 371 Cb 0.10 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2iul s THR 371 CO -0.03 0.05 0.05 -0.89 -0.69 0.00 0.00 174.62 173.11 2iul s THR 372 N 0.82 4.48 -1.02 -0.82 2.01 -1.26 -4.70 115.64 115.16 2iul s THR 372 Ca 0.67 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 2iul s THR 372 Cb -0.43 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.08 2iul s THR 372 CO 0.35 0.33 1.47 -0.69 -0.69 0.00 0.00 174.62 175.38 2iul s VAL 373 N -1.18 3.90 0.34 3.82 1.01 -1.26 -4.59 120.40 122.45 2iul s VAL 373 Ca 0.22 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 2iul s VAL 373 Cb -0.12 -5.02 0.04 0.00 0.00 0.00 0.00 36.38 31.28 2iul s VAL 373 CO 0.14 -1.90 0.75 0.54 0.00 0.00 0.00 175.10 174.63 2iul s ASN 374 N 5.09 -0.09 0.12 3.32 2.20 -1.26 -4.80 114.94 119.52 2iul s ASN 374 Ca 0.47 -0.94 -0.13 0.00 -0.94 0.00 0.00 52.86 51.32 2iul s ASN 374 Cb -0.00 0.80 -0.07 0.00 -2.00 0.00 0.00 41.25 39.98 2iul s ASN 374 CO -0.10 -1.55 1.44 0.25 -2.94 0.00 0.00 177.10 174.20 2iul h LEU 375 N 2.01 0.90 -0.45 3.54 6.46 -1.90 -1.68 115.31 124.18 2iul h LEU 375 Ca -0.27 -0.48 0.09 0.00 -0.12 0.00 0.00 57.88 57.10 2iul h LEU 375 Cb 1.25 -0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.85 2iul h LEU 375 CO 0.34 1.20 -0.04 -0.08 -0.62 0.00 0.00 178.44 179.24 2iul h GLU 376 N 0.61 0.07 0.00 1.25 4.81 -1.97 -1.05 114.58 118.30 2iul h GLU 376 Ca 0.05 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2iul h GLU 376 Cb 0.96 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2iul h GLU 376 CO 0.09 0.05 -0.21 -0.44 -0.73 0.00 0.00 179.01 177.77 2iul h ASP 377 N 0.07 0.00 -0.38 1.04 5.19 -1.79 -2.04 116.42 118.51 2iul h ASP 377 Ca 0.22 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2iul h ASP 377 Cb 0.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 2iul h ASP 377 CO -0.41 0.21 0.16 0.25 -3.12 0.00 0.00 179.24 176.33 2iul h LEU 378 N 0.00 0.52 -0.34 1.55 5.85 -0.53 0.12 115.31 122.48 2iul h LEU 378 Ca -0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2iul h LEU 378 Cb 0.94 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2iul h LEU 378 CO 0.03 0.54 0.22 0.58 -0.34 0.00 0.00 178.44 179.47 2iul h VAL 379 N 0.47 1.09 -0.90 1.05 2.07 -1.03 -2.37 116.25 116.63 2iul h VAL 379 Ca 0.13 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2iul h VAL 379 Cb 0.17 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2iul h VAL 379 CO -0.01 0.09 0.58 0.58 0.02 0.00 0.00 177.57 178.83 2iul h VAL 380 N 0.46 1.14 -0.74 2.57 2.07 -1.19 -1.03 116.25 119.53 2iul h VAL 380 Ca 0.12 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2iul h VAL 380 Cb -0.05 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 29.59 2iul h VAL 380 CO -0.03 0.21 0.45 0.00 0.02 0.00 0.00 177.57 178.22 2iul h ALA 381 N 1.37 1.00 -0.46 1.67 0.00 -0.53 -0.61 119.26 121.70 2iul h ALA 381 Ca 0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2iul h ALA 381 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2iul h ALA 381 CO -0.12 0.18 0.15 0.45 0.00 0.00 0.00 179.25 179.90 2iul h HIS 382 N 0.84 0.73 -0.37 0.00 3.86 -0.88 -0.20 115.15 119.13 2iul h HIS 382 Ca 0.32 -0.07 0.07 0.00 -1.16 0.00 0.00 60.37 59.53 2iul h HIS 382 Cb 0.13 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.33 2iul h HIS 382 CO -0.05 0.65 -0.01 1.25 0.86 0.00 0.00 177.93 180.63 2iul h HIS 383 N 0.60 -0.05 -0.36 2.45 6.17 -0.66 -0.03 115.15 123.28 2iul h HIS 383 Ca 0.15 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.15 2iul h HIS 383 Cb 0.26 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.25 2iul h HIS 383 CO 0.01 -0.09 -0.20 0.93 0.71 0.00 0.00 177.93 179.30 2iul h GLU 384 N 0.08 0.69 0.00 5.26 4.39 -0.97 -2.53 114.58 121.50 2iul h GLU 384 Ca 0.18 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2iul h GLU 384 Cb 0.26 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2iul h GLU 384 CO -0.32 0.84 -0.26 0.52 -1.16 0.00 0.00 179.01 178.63 2iul h MET 385 N 0.61 0.00 -0.67 2.33 2.86 -0.57 -2.45 114.93 117.04 2iul h MET 385 Ca 0.09 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2iul h MET 385 Cb 0.67 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 2iul h MET 385 CO 0.05 0.26 0.23 0.78 1.06 0.00 0.00 176.91 179.29 2iul h GLY 386 N 1.49 1.11 0.99 8.32 0.00 -0.58 -0.16 103.07 114.23 2iul h GLY 386 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2iul h GLY 386 CO 0.03 0.60 0.09 0.45 0.00 0.00 0.00 176.54 177.71 2iul h HIS 387 N 0.97 0.17 -0.50 5.60 -0.00 -1.26 -1.76 115.15 118.36 2iul h HIS 387 Ca 0.22 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.63 2iul h HIS 387 Cb 0.27 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 2iul h HIS 387 CO 0.02 0.11 0.28 0.82 -0.00 0.00 0.00 177.93 179.16 2iul h ILE 388 N 0.19 1.00 -0.49 2.45 1.08 -1.35 -0.85 117.51 119.55 2iul h ILE 388 Ca 0.06 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.38 2iul h ILE 388 Cb -0.01 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 2iul h ILE 388 CO -0.02 0.10 0.25 -0.61 -0.69 0.00 0.00 178.15 177.18 2iul h GLN 389 N 0.55 0.47 -0.45 2.37 5.75 -0.86 -0.51 115.11 122.44 2iul h GLN 389 Ca 0.21 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.73 2iul h GLN 389 Cb 0.08 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 2iul h GLN 389 CO -0.12 0.31 0.21 -0.92 -2.65 0.00 0.00 178.83 175.66 2iul h TYR 390 N 0.49 0.38 -0.30 3.99 -0.00 -0.88 0.81 116.97 121.46 2iul h TYR 390 Ca 0.22 0.02 0.06 0.00 -0.00 0.00 0.00 58.73 59.02 2iul h TYR 390 Cb 0.12 -0.11 -0.06 0.00 -0.00 0.00 0.00 36.73 36.69 2iul h TYR 390 CO -0.10 0.18 -0.07 0.74 -0.00 0.00 0.00 178.16 178.91 2iul h PHE 391 N 0.42 -0.15 -0.60 -3.82 0.05 -0.40 -2.03 116.94 110.40 2iul h PHE 391 Ca 0.20 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.94 2iul h PHE 391 Cb 0.13 0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.17 2iul h PHE 391 CO -0.11 -0.12 0.09 0.52 -0.18 0.00 0.00 178.31 178.50 2iul h MET 392 N 0.01 0.98 -0.65 1.51 2.86 -0.77 -2.48 114.93 116.37 2iul h MET 392 Ca 0.14 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 2iul h MET 392 Cb 0.22 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2iul h MET 392 CO -0.30 0.91 0.07 1.96 1.06 0.00 0.00 176.91 180.61 2iul h GLN 393 N 0.92 1.11 -0.57 1.72 1.08 -0.41 -3.22 115.11 115.73 2iul h GLN 393 Ca 0.19 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2iul h GLN 393 Cb 0.41 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2iul h GLN 393 CO 0.01 1.03 0.00 2.48 -0.95 0.00 0.00 178.83 181.40 2iul n TYR 394 N -4.20 1.39 0.24 2.96 0.18 -0.80 -4.48 117.16 112.44 2iul n TYR 394 Ca 0.04 -0.64 0.16 0.00 1.88 0.00 0.00 57.90 59.33 2iul n TYR 394 Cb 0.31 -0.26 0.85 0.00 -0.38 0.00 0.00 39.34 39.87 2iul n TYR 394 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 2iul h LYS 395 N 3.62 0.00 -0.03 -3.48 2.10 -1.46 -2.13 116.57 115.20 2iul h LYS 395 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2iul h LYS 395 Cb 1.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 2iul h LYS 395 CO 0.23 0.00 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.31 2iul n ASP 396 N -2.60 2.73 -4.82 7.07 8.00 -1.26 -4.72 116.55 120.94 2iul n ASP 396 Ca -0.02 -1.86 -0.32 0.00 0.71 0.00 0.00 54.79 53.30 2iul n ASP 396 Cb 0.05 0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.30 2iul n ASP 396 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2iul s LEU 397 N -2.10 3.31 0.33 0.64 1.43 -0.80 -5.01 118.68 116.47 2iul s LEU 397 Ca 0.25 1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 54.72 2iul s LEU 397 Cb 0.19 -4.51 -0.13 0.00 0.03 0.00 0.00 46.19 41.78 2iul s LEU 397 CO 0.37 -1.20 1.23 -2.65 0.23 0.00 0.00 176.35 174.32 2iul n PRO 398 N -2.58 1.94 -0.12 1.29 -0.02 -1.26 -4.81 135.00 129.43 2iul n PRO 398 Ca 0.08 0.68 0.22 0.00 -2.02 0.00 0.00 63.50 62.46 2iul n PRO 398 Cb 0.53 -2.21 0.65 0.00 -0.02 0.00 0.00 33.50 32.45 2iul n PRO 398 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2iul h VAL 399 N 2.42 0.67 0.00 -1.45 -1.51 -1.95 0.15 116.25 114.58 2iul h VAL 399 Ca -0.44 -0.04 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 2iul h VAL 399 Cb 1.30 0.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2iul h VAL 399 CO 0.62 0.02 -0.03 0.00 -1.23 0.00 0.00 177.57 176.96 2iul h ALA 400 N 1.64 1.25 -0.09 5.19 0.00 -1.97 -2.26 119.26 123.02 2iul h ALA 400 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2iul h ALA 400 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2iul h ALA 400 CO -0.05 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.52 2iul n LEU 401 N -3.48 2.50 -3.50 0.00 4.77 0.51 -4.72 117.00 113.09 2iul n LEU 401 Ca -0.02 -1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 54.40 2iul n LEU 401 Cb 0.13 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2iul n LEU 401 CO 0.25 0.48 3.09 0.54 -1.33 0.00 0.00 177.39 180.43 2iul n ARG 402 N 0.92 3.34 -4.15 3.23 1.74 -0.85 -0.55 116.66 120.33 2iul n ARG 402 Ca 0.11 -2.38 -0.10 0.00 -0.77 0.00 0.00 57.85 54.70 2iul n ARG 402 Cb 0.42 -3.01 -0.10 0.00 -1.02 0.00 0.00 32.46 28.75 2iul n ARG 402 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2iul s GLU 403 N 2.60 1.00 0.93 5.56 2.02 -1.26 -4.98 118.70 124.56 2iul s GLU 403 Ca 0.60 -1.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 2iul s GLU 403 Cb 0.16 0.25 0.15 0.00 0.10 0.00 0.00 34.13 34.79 2iul s GLU 403 CO -0.07 -0.30 1.10 0.20 0.02 0.00 0.00 175.26 176.21 2iul s GLY 404 N -3.07 1.64 0.24 -1.39 0.00 -1.26 -1.77 107.32 101.71 2iul s GLY 404 Ca 0.27 0.21 -0.05 0.00 0.00 0.00 0.00 44.72 45.16 2iul s GLY 404 CO 0.04 0.69 1.71 0.00 0.00 0.00 0.00 173.10 175.54 2iul h ALA 405 N -1.77 1.00 -2.62 3.20 0.00 -1.90 -3.37 119.26 113.81 2iul h ALA 405 Ca -0.48 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 2iul h ALA 405 Cb 1.28 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 2iul h ALA 405 CO 0.49 -0.28 -0.52 0.54 0.00 0.00 0.00 179.25 179.48 2iul s ASN 406 N -5.29 0.12 0.54 0.00 2.20 -1.26 -4.21 114.94 107.04 2iul s ASN 406 Ca -0.13 -1.26 0.22 0.00 -0.94 0.00 0.00 52.86 50.75 2iul s ASN 406 Cb 0.21 0.41 1.42 0.00 -2.00 0.00 0.00 41.25 41.29 2iul s ASN 406 CO 0.76 -0.88 2.11 -0.65 -2.94 0.00 0.00 177.10 175.50 2iul h PRO 407 N 2.58 0.00 -0.93 3.55 0.11 -1.83 -2.13 132.00 133.35 2iul h PRO 407 Ca -0.34 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.78 2iul h PRO 407 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 2iul h PRO 407 CO 0.50 0.00 0.61 0.78 -0.21 0.00 0.00 178.00 179.68 2iul h GLY 408 N 0.00 1.31 1.00 -0.55 0.00 -1.93 -2.97 103.07 99.93 2iul h GLY 408 Ca 0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2iul h GLY 408 CO -0.00 0.49 0.38 0.74 0.00 0.00 0.00 176.54 178.14 2iul h PHE 409 N 1.26 0.78 -0.92 5.60 -1.00 -1.71 -1.52 116.94 119.43 2iul h PHE 409 Ca 0.34 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.14 2iul h PHE 409 Cb -0.13 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.12 2iul h PHE 409 CO 0.00 0.52 0.61 1.25 -1.61 0.00 0.00 178.31 179.08 2iul h HIS 410 N 0.82 1.15 0.00 -0.55 2.76 -1.54 -2.38 115.15 115.40 2iul h HIS 410 Ca 0.22 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.30 2iul h HIS 410 Cb -0.05 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.51 2iul h HIS 410 CO -0.02 0.70 -0.54 0.93 -1.30 0.00 0.00 177.93 177.69 2iul h GLU 411 N 1.22 0.00 0.01 5.26 4.39 -1.34 -3.34 114.58 120.77 2iul h GLU 411 Ca 0.35 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.85 2iul h GLU 411 Cb -0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2iul h GLU 411 CO -0.09 0.54 -0.95 0.00 -1.16 0.00 0.00 179.01 177.34 2iul h ALA 412 N 1.46 0.44 0.27 3.43 0.00 -0.75 -3.38 119.26 120.73 2iul h ALA 412 Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 54.91 54.08 2iul h ALA 412 Cb 0.96 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2iul h ALA 412 CO 0.07 1.11 -0.38 0.82 0.00 0.00 0.00 179.25 180.87 2iul h ILE 413 N 0.02 0.22 -0.96 0.00 1.08 -1.66 -1.04 117.51 115.17 2iul h ILE 413 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2iul h ILE 413 Cb 1.66 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.58 2iul h ILE 413 CO 0.13 0.00 0.61 1.23 -0.69 0.00 0.00 178.15 179.43 2iul h GLY 414 N -0.72 1.37 1.65 5.37 0.00 -1.74 -2.53 103.07 106.46 2iul h GLY 414 Ca -0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2iul h GLY 414 CO -0.13 0.53 0.05 -0.55 0.00 0.00 0.00 176.54 176.43 2iul h ASP 415 N 1.31 0.41 0.19 0.19 5.19 -1.60 -1.61 116.42 120.52 2iul h ASP 415 Ca 0.35 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2iul h ASP 415 Cb -0.11 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.29 2iul h ASP 415 CO -0.07 0.44 -0.13 0.58 -3.12 0.00 0.00 179.24 176.94 2iul h VAL 416 N 0.45 0.73 -0.81 -1.35 2.07 -0.76 -0.89 116.25 115.68 2iul h VAL 416 Ca 0.10 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 2iul h VAL 416 Cb 0.21 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2iul h VAL 416 CO -0.00 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 2iul h LEU 417 N -0.32 1.09 -2.01 2.57 4.07 -1.49 -2.45 115.31 116.77 2iul h LEU 417 Ca -0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 2iul h LEU 417 Cb 0.27 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 2iul h LEU 417 CO 0.01 0.95 -0.07 0.00 -1.08 0.00 0.00 178.44 178.26 2iul h ALA 418 N 1.20 1.70 -0.63 1.53 0.00 -1.00 -1.42 119.26 120.66 2iul h ALA 418 Ca 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2iul h ALA 418 Cb 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2iul h ALA 418 CO -0.03 0.08 0.36 -0.07 0.00 0.00 0.00 179.25 179.59 2iul h LEU 419 N 0.00 0.77 -0.23 0.00 3.38 -0.66 -0.75 115.31 117.81 2iul h LEU 419 Ca -0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2iul h LEU 419 Cb 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2iul h LEU 419 CO 0.01 0.63 -0.21 0.28 0.09 0.00 0.00 178.44 179.23 2iul h SER 420 N 0.85 0.59 -0.93 -0.43 0.02 -1.35 -3.08 113.55 109.22 2iul h SER 420 Ca 0.22 -0.47 0.18 0.00 -0.84 0.00 0.00 61.79 60.89 2iul h SER 420 Cb 0.02 -0.17 -0.11 0.00 0.14 0.00 0.00 62.40 62.29 2iul h SER 420 CO -0.04 0.93 0.51 0.58 -1.14 0.00 0.00 176.83 177.68 2iul h VAL 421 N 0.25 0.67 0.00 2.27 2.07 -1.16 -2.41 116.25 117.94 2iul h VAL 421 Ca 0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2iul h VAL 421 Cb 0.76 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2iul h VAL 421 CO 0.05 0.12 0.00 0.28 0.02 0.00 0.00 177.57 178.04 2iul h SER 422 N 0.65 0.00 -3.98 0.57 0.02 -1.04 -3.28 113.55 106.49 2iul h SER 422 Ca 0.53 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.94 2iul h SER 422 Cb 0.84 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.50 2iul h SER 422 CO -0.40 0.00 0.69 0.42 -1.14 0.00 0.00 176.83 176.40 2iul s THR 423 N -3.39 2.17 0.27 -2.27 -4.23 -0.91 -4.79 115.64 102.49 2iul s THR 423 Ca 0.04 0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.69 2iul s THR 423 Cb 0.09 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 71.11 2iul s THR 423 CO 0.43 0.02 1.83 -0.65 -0.54 0.00 0.00 174.62 175.72 2iul h PRO 424 N 2.45 0.92 -0.35 3.99 0.11 -1.90 -0.04 132.00 137.19 2iul h PRO 424 Ca -0.51 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.61 2iul h PRO 424 Cb 1.26 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 2iul h PRO 424 CO 0.62 0.61 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.79 2iul h LYS 425 N 0.94 0.09 -0.23 1.05 3.64 -1.91 0.99 116.57 121.15 2iul h LYS 425 Ca 0.47 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.77 2iul h LYS 425 Cb 0.45 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2iul h LYS 425 CO -0.26 0.06 -0.16 1.25 -2.27 0.00 0.00 179.45 178.07 2iul h HIS 426 N 0.09 0.60 -1.00 1.91 2.76 -1.61 -2.39 115.15 115.50 2iul h HIS 426 Ca 0.17 -0.16 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2iul h HIS 426 Cb 0.23 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.00 2iul h HIS 426 CO -0.25 0.81 0.65 -0.07 -1.30 0.00 0.00 177.93 177.77 2iul h LEU 427 N 0.21 1.06 -0.94 0.26 3.38 -0.90 -1.31 115.31 117.07 2iul h LEU 427 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2iul h LEU 427 Cb 0.68 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2iul h LEU 427 CO 0.04 0.69 0.61 -0.74 0.09 0.00 0.00 178.44 179.13 2iul h HIS 428 N 1.21 1.14 0.00 1.13 2.76 -0.68 -1.10 115.15 119.61 2iul h HIS 428 Ca 0.42 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.62 2iul h HIS 428 Cb 0.10 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 28.68 2iul h HIS 428 CO -0.00 0.65 0.00 0.66 -1.30 0.00 0.00 177.93 177.94 2iul h SER 429 N 1.17 0.00 -0.16 3.26 4.64 -0.73 0.43 113.55 122.16 2iul h SER 429 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2iul h SER 429 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2iul h SER 429 CO -0.13 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.01 2iul n LEU 430 N -2.78 2.53 -2.42 5.97 4.77 -0.69 -4.96 117.00 119.41 2iul n LEU 430 Ca 0.00 -0.97 -0.18 0.00 -0.03 0.00 0.00 56.01 54.83 2iul n LEU 430 Cb 0.22 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2iul n LEU 430 CO 0.22 0.49 0.00 -3.20 -1.33 0.00 0.00 177.39 173.57 2iul n ASN 431 N 0.92 -5.18 -0.00 -1.43 5.15 0.14 -4.90 115.26 109.96 2iul n ASN 431 Ca 0.17 -0.23 0.04 0.00 -0.60 0.00 0.00 54.58 53.97 2iul n ASN 431 Cb 0.49 -4.02 -0.06 0.00 -0.53 0.00 0.00 39.78 35.66 2iul n ASN 431 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2iul n LEU 432 N -3.24 0.36 -4.20 1.20 4.77 -0.50 -4.94 117.00 110.46 2iul n LEU 432 Ca -0.09 -0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 55.34 2iul n LEU 432 Cb 0.60 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 2iul n LEU 432 CO 0.37 0.09 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.35 2iul s LEU 433 N -2.66 2.45 -0.01 2.23 1.43 -1.19 -4.52 118.68 116.41 2iul s LEU 433 Ca 0.02 -0.89 0.06 0.00 -1.03 0.00 0.00 54.13 52.29 2iul s LEU 433 Cb 0.07 -0.30 -0.24 0.00 0.03 0.00 0.00 46.19 45.75 2iul s LEU 433 CO 0.38 -0.30 0.79 0.77 0.23 0.00 0.00 176.35 178.23 2iul h SER 434 N 3.28 0.13 0.00 2.29 4.64 -1.92 -3.37 113.55 118.60 2iul h SER 434 Ca -0.37 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2iul h SER 434 Cb 1.19 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2iul h SER 434 CO 0.57 1.19 0.00 -1.20 -0.87 0.00 0.00 176.83 176.52 2iul n SER 435 N -3.24 0.00 0.00 4.97 7.64 -1.26 -5.02 113.62 116.71 2iul n SER 435 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2iul n SER 435 Cb 1.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 2iul n SER 435 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iul n GLY 437 N 5.00 1.63 2.50 0.23 0.00 -1.26 -4.49 105.19 108.80 2iul n GLY 437 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 2iul n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iul n GLY 438 N 2.63 3.75 3.79 -0.02 0.00 -1.26 -5.14 105.19 108.93 2iul n GLY 438 Ca 0.00 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 2iul n GLY 438 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iul s SER 439 N -3.61 5.21 0.37 1.61 1.04 -1.26 -4.93 113.70 112.13 2iul s SER 439 Ca 0.37 1.85 0.08 0.00 0.48 0.00 0.00 55.95 58.73 2iul s SER 439 Cb 0.38 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.71 2iul s SER 439 CO -0.02 -1.56 1.90 0.44 0.98 0.00 0.00 173.24 174.99 2iul h ASP 440 N -0.23 0.29 -0.18 7.02 5.19 -2.01 -1.83 116.42 124.66 2iul h ASP 440 Ca -0.46 -0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 55.83 2iul h ASP 440 Cb 1.23 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2iul h ASP 440 CO 0.55 0.43 -0.16 -0.33 -3.12 0.00 0.00 179.24 176.61 2iul h GLU 441 N 0.29 0.43 -0.24 3.56 5.08 -1.99 -1.08 114.58 120.63 2iul h GLU 441 Ca 0.06 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2iul h GLU 441 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2iul h GLU 441 CO 0.02 0.78 0.08 0.45 -1.00 0.00 0.00 179.01 179.34 2iul h HIS 442 N 0.09 0.33 -0.19 4.33 3.86 -1.89 -1.42 115.15 120.27 2iul h HIS 442 Ca 0.03 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 2iul h HIS 442 Cb 0.69 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 2iul h HIS 442 CO 0.08 0.28 -0.08 0.22 0.86 0.00 0.00 177.93 179.29 2iul h ASP 443 N 0.34 0.39 0.08 2.45 3.58 -1.09 -0.26 116.42 121.91 2iul h ASP 443 Ca 0.08 -0.40 -0.14 0.00 0.42 0.00 0.00 57.03 57.00 2iul h ASP 443 Cb 0.10 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2iul h ASP 443 CO -0.01 0.70 -0.46 0.40 -2.88 0.00 0.00 179.24 176.99 2iul h ILE 444 N 0.08 1.32 -0.44 2.25 1.08 -1.06 -1.40 117.51 119.33 2iul h ILE 444 Ca 0.04 -1.66 0.01 0.00 -0.39 0.00 0.00 64.86 62.86 2iul h ILE 444 Cb 0.55 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 2iul h ILE 444 CO 0.02 0.51 0.29 0.78 -0.69 0.00 0.00 178.15 179.06 2iul h ASN 445 N 0.36 0.49 -0.16 1.72 2.35 -1.20 -0.44 115.58 118.70 2iul h ASN 445 Ca 0.02 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2iul h ASN 445 Cb 0.95 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 2iul h ASN 445 CO 0.08 0.35 0.07 0.15 -1.65 0.00 0.00 177.43 176.44 2iul h PHE 446 N 0.58 0.23 -0.72 1.19 3.57 -0.79 -1.64 116.94 119.37 2iul h PHE 446 Ca 0.17 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 2iul h PHE 446 Cb -0.05 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2iul h PHE 446 CO -0.05 0.28 0.47 -0.07 -2.23 0.00 0.00 178.31 176.71 2iul h LEU 447 N 0.12 0.82 -0.29 0.59 3.38 -1.12 -1.57 115.31 117.24 2iul h LEU 447 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2iul h LEU 447 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2iul h LEU 447 CO -0.01 0.60 0.11 -0.03 0.09 0.00 0.00 178.44 179.19 2iul h MET 448 N 0.97 0.44 -0.67 1.13 4.05 -0.87 -0.06 114.93 119.93 2iul h MET 448 Ca 0.26 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.66 2iul h MET 448 Cb -0.11 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.56 2iul h MET 448 CO -0.06 0.47 0.36 -0.22 0.23 0.00 0.00 176.91 177.70 2iul h LYS 449 N 0.31 0.65 -0.50 0.39 1.63 -0.65 -0.93 116.57 117.47 2iul h LYS 449 Ca 0.09 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.73 2iul h LYS 449 Cb 0.20 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 2iul h LYS 449 CO -0.01 0.43 -0.19 0.52 -3.45 0.00 0.00 179.45 176.76 2iul h MET 450 N 0.66 1.00 -0.71 1.90 2.86 -1.14 -3.12 114.93 116.39 2iul h MET 450 Ca 0.30 -0.41 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2iul h MET 450 Cb 0.21 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2iul h MET 450 CO -0.19 1.09 0.19 0.00 1.06 0.00 0.00 176.91 179.06 2iul h ALA 451 N 0.90 0.99 -0.52 6.32 0.00 -0.60 0.18 119.26 126.53 2iul h ALA 451 Ca 0.12 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2iul h ALA 451 Cb 0.76 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2iul h ALA 451 CO 0.06 0.66 0.36 -0.07 0.00 0.00 0.00 179.25 180.26 2iul h LEU 452 N 1.07 0.25 0.00 0.00 3.38 -1.11 -0.07 115.31 118.82 2iul h LEU 452 Ca 0.23 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2iul h LEU 452 Cb 0.35 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2iul h LEU 452 CO -0.00 0.15 -0.35 -0.78 0.09 0.00 0.00 178.44 177.54 2iul h ASP 453 N 0.28 0.00 0.07 -0.43 3.58 -1.48 0.42 116.42 118.86 2iul h ASP 453 Ca 0.24 -0.04 -0.26 0.00 0.42 0.00 0.00 57.03 57.39 2iul h ASP 453 Cb 0.59 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.67 2iul h ASP 453 CO -0.05 0.70 -1.08 0.11 -2.88 0.00 0.00 179.24 176.04 2iul h LYS 454 N -1.00 0.60 0.02 0.28 1.79 -0.55 -2.89 116.57 114.82 2iul h LYS 454 Ca -0.01 -0.74 -0.12 0.00 -2.18 0.00 0.00 60.65 57.59 2iul h LYS 454 Cb 0.37 0.23 0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2iul h LYS 454 CO -0.01 1.32 -0.49 0.82 -1.08 0.00 0.00 179.45 180.01 2iul h ILE 455 N 0.22 1.50 -0.38 1.86 1.08 -1.19 -3.29 117.51 117.31 2iul h ILE 455 Ca -0.15 -2.13 0.04 0.00 -0.39 0.00 0.00 64.86 62.23 2iul h ILE 455 Cb 1.76 2.80 -0.02 0.00 -3.07 0.00 0.00 36.82 38.29 2iul h ILE 455 CO 0.21 0.60 0.26 0.00 -0.69 0.00 0.00 178.15 178.53 2iul h ALA 456 N 0.24 1.92 0.00 1.87 0.00 -1.60 -2.24 119.26 119.45 2iul h ALA 456 Ca -0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2iul h ALA 456 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2iul h ALA 456 CO 0.10 0.02 -0.30 0.35 0.00 0.00 0.00 179.25 179.41 2iul h PHE 457 N 0.35 0.00 0.16 0.00 3.57 -1.29 -3.34 116.94 116.39 2iul h PHE 457 Ca 0.16 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2iul h PHE 457 Cb 0.21 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2iul h PHE 457 CO -0.00 0.30 -0.52 0.82 -2.23 0.00 0.00 178.31 176.69 2iul h ILE 458 N 0.00 0.02 -0.14 1.41 1.08 -1.48 0.95 117.51 119.35 2iul h ILE 458 Ca -0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2iul h ILE 458 Cb 0.73 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2iul h ILE 458 CO 0.04 0.00 -0.32 1.55 -0.69 0.00 0.00 178.15 178.73 2iul h PRO 459 N -0.77 0.28 -0.17 2.37 0.13 -1.76 -2.03 132.00 130.04 2iul h PRO 459 Ca -0.01 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2iul h PRO 459 Cb 0.77 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2iul h PRO 459 CO -0.26 0.57 0.08 0.35 -0.23 0.00 0.00 178.00 178.51 2iul h PHE 460 N 0.24 0.25 0.00 1.56 3.57 -1.66 -1.79 116.94 119.12 2iul h PHE 460 Ca 0.03 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2iul h PHE 460 Cb 0.69 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2iul h PHE 460 CO 0.01 0.28 -0.19 0.66 -2.23 0.00 0.00 178.31 176.85 2iul h SER 461 N 0.15 0.00 1.26 0.41 4.64 -0.70 -0.85 113.55 118.46 2iul h SER 461 Ca 0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 2iul h SER 461 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2iul h SER 461 CO -0.01 0.19 -0.41 0.22 -0.87 0.00 0.00 176.83 175.95 2iul h TYR 462 N 0.00 0.00 0.00 4.77 3.20 -1.21 -3.38 116.97 120.35 2iul h TYR 462 Ca -0.00 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.64 2iul h TYR 462 Cb 0.51 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 2iul h TYR 462 CO 0.00 0.41 -1.43 1.25 -1.64 0.00 0.00 178.16 176.75 2iul h LEU 463 N 0.00 0.00 -0.04 2.82 6.46 -0.25 -3.27 115.31 121.02 2iul h LEU 463 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2iul h LEU 463 Cb 1.15 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2iul h LEU 463 CO 0.05 0.81 -0.01 0.58 -0.62 0.00 0.00 178.44 179.25 2iul h VAL 464 N 0.00 1.30 0.00 1.05 2.07 -1.67 -2.58 116.25 116.42 2iul h VAL 464 Ca -0.19 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2iul h VAL 464 Cb 1.78 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2iul h VAL 464 CO 0.07 0.25 -0.36 0.44 0.02 0.00 0.00 177.57 177.99 2iul h ASP 465 N -0.28 0.00 -0.64 0.57 3.32 -1.82 -2.17 116.42 115.40 2iul h ASP 465 Ca 0.01 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2iul h ASP 465 Cb 0.41 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2iul h ASP 465 CO 0.00 0.03 0.41 1.56 -1.72 0.00 0.00 179.24 179.52 2iul h GLN 466 N 0.00 0.80 0.20 3.56 1.08 -1.59 0.13 115.11 119.30 2iul h GLN 466 Ca 0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2iul h GLN 466 Cb 0.87 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2iul h GLN 466 CO 0.00 0.53 -0.10 2.35 -0.95 0.00 0.00 178.83 180.67 2iul h TRP 467 N 0.83 -0.25 -0.71 2.96 7.01 -1.34 -3.00 115.95 121.45 2iul h TRP 467 Ca 0.25 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.21 2iul h TRP 467 Cb -0.05 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 2iul h TRP 467 CO -0.04 -0.02 0.32 0.00 -2.79 0.00 0.00 178.44 175.91 2iul h ARG 468 N -0.45 1.03 -0.57 2.65 3.08 -1.24 -0.78 114.38 118.11 2iul h ARG 468 Ca -0.03 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.87 2iul h ARG 468 Cb 0.34 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2iul h ARG 468 CO 0.04 0.83 0.38 -1.49 -1.07 0.00 0.00 179.97 178.66 2iul h TRP 469 N 1.00 0.70 0.00 3.04 6.55 -0.80 0.25 115.95 126.69 2iul h TRP 469 Ca 0.24 0.02 -0.17 0.00 0.95 0.00 0.00 58.89 59.92 2iul h TRP 469 Cb 0.15 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 28.19 2iul h TRP 469 CO 0.01 0.44 -0.83 0.00 -1.05 0.00 0.00 178.44 177.01 2iul h ARG 470 N 0.76 0.00 -0.07 0.49 3.08 -1.30 -1.07 114.38 116.27 2iul h ARG 470 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2iul h ARG 470 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2iul h ARG 470 CO -0.05 0.83 0.02 0.28 -1.07 0.00 0.00 179.97 179.98 2iul h VAL 471 N 0.00 1.18 -0.75 2.04 2.07 -0.52 -1.00 116.25 119.26 2iul h VAL 471 Ca -0.01 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2iul h VAL 471 Cb 1.58 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2iul h VAL 471 CO 0.11 0.15 0.26 -0.26 0.02 0.00 0.00 177.57 177.85 2iul h PHE 472 N -0.09 1.18 -0.00 1.57 0.05 -0.47 -2.54 116.94 116.64 2iul h PHE 472 Ca 0.02 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.71 2iul h PHE 472 Cb 0.22 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.83 2iul h PHE 472 CO -0.00 0.91 -0.00 -0.40 -0.18 0.00 0.00 178.31 178.64 2iul n ASP 473 N -4.26 0.06 0.00 2.17 5.68 -0.41 -4.69 116.55 115.10 2iul n ASP 473 Ca 0.06 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 2iul n ASP 473 Cb 0.21 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2iul n ASP 473 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iul n GLY 474 N 1.03 0.78 0.21 6.12 0.00 -0.96 -4.93 105.19 107.44 2iul n GLY 474 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 2iul n GLY 474 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iul h SER 475 N 0.00 0.00 -3.55 1.61 4.64 -1.48 -3.40 113.55 111.38 2iul h SER 475 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2iul h SER 475 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 2iul h SER 475 CO 0.00 0.18 -0.69 -0.63 -0.87 0.00 0.00 176.83 174.82 2iul s ILE 476 N -3.29 3.37 0.65 0.95 1.01 -0.53 -4.99 121.20 118.38 2iul s ILE 476 Ca 0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 2iul s ILE 476 Cb 0.07 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2iul s ILE 476 CO 0.67 0.16 0.95 0.42 0.00 0.00 0.00 174.94 177.14 2iul s THR 477 N 1.41 2.73 0.61 2.92 -4.23 -1.26 -4.49 115.64 113.33 2iul s THR 477 Ca 0.02 -0.23 0.40 0.00 -1.18 0.00 0.00 61.69 60.69 2iul s THR 477 Cb -0.17 -3.14 0.42 0.00 1.34 0.00 0.00 72.50 70.95 2iul s THR 477 CO -0.01 -0.14 2.32 0.07 -0.54 0.00 0.00 174.62 176.31 2iul h LYS 478 N -0.40 0.00 0.00 3.99 2.10 -1.98 0.41 116.57 120.69 2iul h LYS 478 Ca -0.44 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.15 2iul h LYS 478 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2iul h LYS 478 CO 0.60 0.01 -0.25 0.93 -2.00 0.00 0.00 179.45 178.73 2iul h GLU 479 N 0.00 0.00 0.00 0.07 5.08 -2.03 -3.32 114.58 114.37 2iul h GLU 479 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2iul h GLU 479 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2iul h GLU 479 CO 0.00 0.25 0.00 0.09 -1.00 0.00 0.00 179.01 178.35 2iul n ASN 480 N -3.65 1.76 -0.30 1.42 3.02 0.04 -4.80 115.26 112.75 2iul n ASN 480 Ca -0.01 -1.80 -0.11 0.00 -0.03 0.00 0.00 54.58 52.62 2iul n ASN 480 Cb 0.38 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.46 2iul n ASN 480 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2iul h TYR 481 N 0.00 -1.69 -0.16 3.10 0.99 -1.42 -1.68 116.97 116.11 2iul h TYR 481 Ca 0.00 0.11 -0.22 0.00 2.00 0.00 0.00 58.73 60.61 2iul h TYR 481 Cb 0.45 0.83 0.01 0.00 1.00 0.00 0.00 36.73 39.02 2iul h TYR 481 CO 0.00 -0.38 -0.77 -0.97 -0.00 0.00 0.00 178.16 176.04 2iul h ASN 482 N -0.12 0.96 -0.79 3.88 -1.24 -1.87 -2.21 115.58 114.18 2iul h ASN 482 Ca 0.12 -0.62 -0.05 0.00 0.71 0.00 0.00 56.30 56.46 2iul h ASN 482 Cb 0.43 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 2iul h ASN 482 CO -0.76 1.42 0.31 1.56 -1.29 0.00 0.00 177.43 178.67 2iul h GLN 483 N 0.55 1.18 -0.00 6.67 7.50 -1.87 -1.47 115.11 127.66 2iul h GLN 483 Ca -0.05 -0.22 -0.16 0.00 0.50 0.00 0.00 58.65 58.72 2iul h GLN 483 Cb 1.40 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 28.72 2iul h GLN 483 CO 0.16 0.96 -0.76 0.93 -1.50 0.00 0.00 178.83 178.62 2iul h GLU 484 N 1.14 0.06 0.22 1.46 4.39 -1.28 -0.71 114.58 119.85 2iul h GLU 484 Ca 0.26 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2iul h GLU 484 Cb 0.23 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2iul h GLU 484 CO -0.02 0.79 -0.18 2.35 -1.16 0.00 0.00 179.01 180.79 2iul h TRP 485 N 0.04 -0.48 -0.37 4.33 2.91 -1.15 -2.39 115.95 118.83 2iul h TRP 485 Ca -0.01 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.95 2iul h TRP 485 Cb 1.34 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 30.16 2iul h TRP 485 CO 0.01 -0.28 -0.02 -1.49 -1.03 0.00 0.00 178.44 175.63 2iul h TRP 486 N -0.42 0.62 -0.82 2.65 4.06 -1.15 0.34 115.95 121.24 2iul h TRP 486 Ca -0.01 -0.07 0.08 0.00 2.06 0.00 0.00 58.89 60.95 2iul h TRP 486 Cb 0.38 -0.17 -0.07 0.00 -1.00 0.00 0.00 29.16 28.30 2iul h TRP 486 CO -0.13 0.61 0.48 0.77 -3.56 0.00 0.00 178.44 176.62 2iul h SER 487 N 0.56 0.71 0.31 -3.49 0.02 -1.06 0.07 113.55 110.66 2iul h SER 487 Ca 0.11 0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 2iul h SER 487 Cb 0.39 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.83 2iul h SER 487 CO 0.02 0.43 -1.02 -0.07 -1.14 0.00 0.00 176.83 175.05 2iul h LEU 488 N 0.84 0.60 -0.78 5.07 3.38 -0.85 0.42 115.31 123.99 2iul h LEU 488 Ca 0.38 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2iul h LEU 488 Cb 0.28 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2iul h LEU 488 CO -0.22 1.32 0.46 0.03 0.09 0.00 0.00 178.44 180.12 2iul h ARG 489 N 0.24 0.81 0.30 1.13 2.47 -0.62 0.01 114.38 118.72 2iul h ARG 489 Ca -0.10 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.55 2iul h ARG 489 Cb 1.67 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 2iul h ARG 489 CO 0.18 0.54 -0.15 1.25 0.56 0.00 0.00 179.97 182.35 2iul h LEU 490 N 0.84 -0.35 -0.44 3.04 5.85 -0.96 -1.98 115.31 121.30 2iul h LEU 490 Ca 0.35 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.94 2iul h LEU 490 Cb 0.21 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2iul h LEU 490 CO -0.19 0.07 0.14 0.50 -0.34 0.00 0.00 178.44 178.62 2iul h LYS 491 N -0.84 0.29 0.03 1.25 3.64 -0.66 -1.12 116.57 119.16 2iul h LYS 491 Ca -0.04 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.01 2iul h LYS 491 Cb 0.52 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2iul h LYS 491 CO 0.07 0.19 -1.71 0.66 -2.27 0.00 0.00 179.45 176.39 2iul n TYR 492 N -5.03 0.86 0.37 1.91 4.02 -0.03 -4.56 117.16 114.70 2iul n TYR 492 Ca 0.04 0.31 0.11 0.00 -0.01 0.00 0.00 57.90 58.34 2iul n TYR 492 Cb 0.18 -1.10 -0.01 0.00 -0.02 0.00 0.00 39.34 38.39 2iul n TYR 492 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2iul n GLN 493 N -4.11 0.42 -3.28 -0.72 6.02 -0.80 -4.80 117.38 110.12 2iul n GLN 493 Ca -0.36 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.46 2iul n GLN 493 Cb 0.82 -1.64 0.07 0.00 1.02 0.00 0.00 30.24 30.51 2iul n GLN 493 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2iul n GLY 494 N 1.31 -0.21 3.48 1.08 0.00 -0.42 -4.92 105.19 105.50 2iul n GLY 494 Ca 0.01 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2iul n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iul s LEU 495 N -5.77 2.64 0.14 0.99 1.43 -1.09 -1.31 118.68 115.71 2iul s LEU 495 Ca 0.30 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2iul s LEU 495 Cb -0.13 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2iul s LEU 495 CO 0.57 0.13 -0.17 0.00 0.23 0.00 0.00 176.35 177.11 2iul s PRO 497 N -2.62 4.54 0.54 0.00 0.04 -1.26 -0.79 135.00 135.45 2iul s PRO 497 Ca 0.12 1.70 0.32 0.00 0.04 0.00 0.00 61.00 63.17 2iul s PRO 497 Cb -0.06 -3.03 1.28 0.00 0.04 0.00 0.00 34.50 32.72 2iul s PRO 497 CO 0.05 0.16 1.95 -1.00 0.04 0.00 0.00 177.00 178.20 2iul h PRO 498 N 3.51 0.00 -4.18 0.56 0.13 -1.94 -3.42 132.00 126.67 2iul h PRO 498 Ca -0.47 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.24 2iul h PRO 498 Cb 1.21 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 2iul h PRO 498 CO 0.66 0.02 -0.78 0.08 -0.23 0.00 0.00 178.00 177.75 2iul s VAL 499 N -3.65 0.65 0.25 1.56 1.01 -1.26 -4.69 120.40 114.27 2iul s VAL 499 Ca 0.01 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2iul s VAL 499 Cb 0.09 -0.64 -0.14 0.00 0.00 0.00 0.00 36.38 35.68 2iul s VAL 499 CO 0.56 0.24 1.21 -0.81 0.00 0.00 0.00 175.10 176.30 2iul n PRO 500 N 3.88 1.59 -2.78 2.72 -0.04 -1.26 -4.95 135.00 134.16 2iul n PRO 500 Ca -0.24 0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 63.46 2iul n PRO 500 Cb 0.51 -2.08 -0.05 0.00 -0.04 0.00 0.00 33.50 31.84 2iul n PRO 500 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2iul s ARG 501 N -0.91 4.00 0.31 0.54 1.81 -1.26 -5.09 118.95 118.35 2iul s ARG 501 Ca 0.65 0.83 0.04 0.00 -1.72 0.00 0.00 55.73 55.53 2iul s ARG 501 Cb -0.71 -2.27 -0.06 0.00 -0.45 0.00 0.00 34.95 31.46 2iul s ARG 501 CO 0.55 -0.06 0.05 0.95 -0.68 0.00 0.00 175.30 176.11 2iul s THR 502 N -2.31 1.16 0.43 0.02 -4.23 -1.26 -5.08 115.64 104.37 2iul s THR 502 Ca 0.57 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.81 2iul s THR 502 Cb -0.10 -2.74 -0.09 0.00 1.34 0.00 0.00 72.50 70.91 2iul s THR 502 CO 0.23 -0.04 1.40 0.00 -0.54 0.00 0.00 174.62 175.67 2iul n GLN 503 N -0.65 2.24 0.00 3.99 1.13 -1.26 -1.88 117.38 120.95 2iul n GLN 503 Ca -0.02 0.79 0.00 0.00 -1.94 0.00 0.00 57.00 55.83 2iul n GLN 503 Cb 0.66 -2.56 0.00 0.00 0.11 0.00 0.00 30.24 28.45 2iul n GLN 503 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2iul n GLY 504 N 0.62 3.35 3.77 1.08 0.00 -1.26 -5.05 105.19 107.71 2iul n GLY 504 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2iul n GLY 504 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iul s ASP 505 N -0.76 7.00 -0.45 1.61 1.01 -0.79 -4.58 116.67 119.71 2iul s ASP 505 Ca 0.00 2.30 0.06 0.00 0.71 0.00 0.00 52.55 55.61 2iul s ASP 505 Cb 0.00 -2.62 0.20 0.00 1.01 0.00 0.00 42.92 41.51 2iul s ASP 505 CO 0.00 -0.34 0.56 0.33 0.21 0.00 0.00 175.17 175.94 2iul n PHE 506 N 0.75 -2.02 0.06 4.23 7.35 -1.26 -4.68 117.46 121.88 2iul n PHE 506 Ca 0.01 -2.57 0.02 0.00 -0.76 0.00 0.00 57.45 54.15 2iul n PHE 506 Cb 0.45 0.69 0.37 0.00 0.35 0.00 0.00 39.48 41.35 2iul n PHE 506 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2iul h ASP 507 N 4.92 0.36 -0.76 -2.13 3.32 -1.91 -1.78 116.42 118.45 2iul h ASP 507 Ca 0.11 -0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.27 2iul h ASP 507 Cb 0.98 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 2iul h ASP 507 CO 0.28 0.43 0.51 -0.65 -1.72 0.00 0.00 179.24 178.08 2iul h PRO 508 N 0.38 0.36 0.00 3.56 0.11 -1.94 -0.88 132.00 133.59 2iul h PRO 508 Ca 0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2iul h PRO 508 Cb 0.26 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 2iul h PRO 508 CO 0.01 0.24 -0.04 0.78 -0.21 0.00 0.00 178.00 178.78 2iul h GLY 509 N 0.37 0.00 0.47 -0.55 0.00 -1.58 -2.03 103.07 99.76 2iul h GLY 509 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2iul h GLY 509 CO -0.11 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.43 2iul n ALA 510 N -2.16 2.55 -3.36 3.60 0.00 -0.34 -4.36 120.51 116.44 2iul n ALA 510 Ca -0.02 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 2iul n ALA 510 Cb 0.19 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 2iul n ALA 510 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2iul s LYS 511 N -2.00 3.32 0.23 0.00 2.47 -0.76 -4.93 119.74 118.06 2iul s LYS 511 Ca 0.22 -0.69 -0.16 0.00 -1.56 0.00 0.00 55.97 53.77 2iul s LYS 511 Cb 0.10 -2.72 0.25 0.00 -1.46 0.00 0.00 37.83 34.00 2iul s LYS 511 CO 0.17 0.03 1.57 0.35 0.16 0.00 0.00 175.35 177.62 2iul h PHE 512 N 7.30 -0.89 0.00 4.03 3.57 -1.86 -2.19 116.94 126.90 2iul h PHE 512 Ca -0.33 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2iul h PHE 512 Cb 1.19 0.52 0.00 0.00 2.79 0.00 0.00 35.95 40.45 2iul h PHE 512 CO 0.52 -0.39 0.00 0.45 -2.23 0.00 0.00 178.31 176.66 2iul h HIS 513 N -0.04 0.00 0.13 0.41 3.86 -1.92 -1.92 115.15 115.67 2iul h HIS 513 Ca 0.34 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2iul h HIS 513 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 2iul h HIS 513 CO -0.77 0.00 -0.06 0.82 0.86 0.00 0.00 177.93 178.78 2iul h ILE 514 N 0.00 0.00 0.00 2.45 1.08 -1.64 -0.61 117.51 118.78 2iul h ILE 514 Ca 0.00 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 2iul h ILE 514 Cb 0.15 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 2iul h ILE 514 CO 0.00 0.00 -0.07 1.55 -0.69 0.00 0.00 178.15 178.94 2iul h PRO 515 N -0.56 0.00 -0.00 2.37 0.13 -1.68 -2.39 132.00 129.87 2iul h PRO 515 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2iul h PRO 515 Cb 0.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2iul h PRO 515 CO 0.03 0.07 -0.03 0.43 -0.23 0.00 0.00 178.00 178.27 2iul n SER 516 N -4.12 0.07 -3.75 1.44 7.64 -0.73 -4.21 113.62 109.96 2iul n SER 516 Ca -0.03 0.09 -0.22 0.00 1.01 0.00 0.00 58.87 59.72 2iul n SER 516 Cb 0.16 -0.33 0.02 0.00 -1.01 0.00 0.00 64.21 63.05 2iul n SER 516 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2iul n SER 517 N -1.36 -1.04 -4.40 6.43 2.88 -0.67 -4.99 113.62 110.48 2iul n SER 517 Ca 0.11 -0.85 -0.36 0.00 -1.33 0.00 0.00 58.87 56.44 2iul n SER 517 Cb 0.29 -3.86 -0.13 0.00 -0.75 0.00 0.00 64.21 59.76 2iul n SER 517 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2iul s VAL 518 N -3.72 3.91 0.59 2.46 1.01 -0.33 -5.05 120.40 119.28 2iul s VAL 518 Ca 0.01 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 2iul s VAL 518 Cb -0.01 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2iul s VAL 518 CO 0.83 0.38 1.15 -2.65 0.00 0.00 0.00 175.10 174.81 2iul n PRO 519 N 4.77 1.18 -0.01 2.72 -0.02 -1.26 -4.70 135.00 137.68 2iul n PRO 519 Ca -0.17 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 61.78 2iul n PRO 519 Cb 0.51 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 2iul n PRO 519 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2iul n TYR 520 N -1.53 0.00 0.27 6.00 9.36 -1.26 -4.62 117.16 125.38 2iul n TYR 520 Ca 0.13 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.49 2iul n TYR 520 Cb 0.46 -0.24 0.83 0.00 -0.63 0.00 0.00 39.34 39.76 2iul n TYR 520 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 2iul h ILE 521 N 0.00 0.64 -1.05 2.97 6.09 -1.93 -0.67 117.51 123.56 2iul h ILE 521 Ca -0.06 0.00 0.28 0.00 -1.37 0.00 0.00 64.86 63.70 2iul h ILE 521 Cb 0.70 0.97 -0.10 0.00 0.47 0.00 0.00 36.82 38.86 2iul h ILE 521 CO 0.00 0.00 0.67 0.08 -3.07 0.00 0.00 178.15 175.83 2iul h ARG 522 N 0.00 0.39 -0.15 2.19 0.11 -1.91 -1.20 114.38 113.82 2iul h ARG 522 Ca 0.02 -0.02 -0.16 0.00 0.10 0.00 0.00 59.98 59.91 2iul h ARG 522 Cb 0.09 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 2iul h ARG 522 CO -0.00 0.26 -0.59 1.88 0.10 0.00 0.00 179.97 181.62 2iul h TYR 523 N 0.40 0.61 0.18 4.08 -1.99 -1.44 0.13 116.97 118.94 2iul h TYR 523 Ca 0.62 -0.23 -0.01 0.00 2.00 0.00 0.00 58.73 61.12 2iul h TYR 523 Cb 1.54 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 40.16 2iul h TYR 523 CO -0.00 0.95 -0.09 0.35 -0.00 0.00 0.00 178.16 179.37 2iul h PHE 524 N 0.36 -0.23 -0.38 4.88 3.57 -1.46 -2.16 116.94 121.52 2iul h PHE 524 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2iul h PHE 524 Cb 1.13 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 2iul h PHE 524 CO 0.04 0.05 -0.06 0.28 -2.23 0.00 0.00 178.31 176.40 2iul h VAL 525 N -0.51 0.65 -0.51 1.41 2.07 -1.23 -2.49 116.25 115.65 2iul h VAL 525 Ca -0.03 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.58 2iul h VAL 525 Cb 0.39 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 2iul h VAL 525 CO 0.04 0.01 0.02 -1.28 0.02 0.00 0.00 177.57 176.38 2iul h SER 526 N 0.04 -0.18 -0.12 0.57 0.87 -0.70 -0.84 113.55 113.19 2iul h SER 526 Ca 0.19 0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 2iul h SER 526 Cb 0.28 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2iul h SER 526 CO -0.36 -0.06 -0.15 -0.26 -0.53 0.00 0.00 176.83 175.47 2iul h PHE 527 N 0.14 0.53 0.10 2.24 -1.00 -0.95 0.14 116.94 118.13 2iul h PHE 527 Ca 0.26 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 2iul h PHE 527 Cb 0.38 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.81 2iul h PHE 527 CO -0.30 0.62 -0.05 0.82 -1.61 0.00 0.00 178.31 177.79 2iul h ILE 528 N 0.45 1.13 0.00 -0.55 1.08 -1.10 -3.35 117.51 115.18 2iul h ILE 528 Ca 0.08 -1.03 -0.10 0.00 -0.39 0.00 0.00 64.86 63.43 2iul h ILE 528 Cb 0.52 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 2iul h ILE 528 CO 0.03 0.24 -0.47 0.16 -0.69 0.00 0.00 178.15 177.42 2iul h ILE 529 N -0.62 0.95 -0.14 -0.67 3.07 -1.00 -2.98 117.51 116.12 2iul h ILE 529 Ca -0.01 -1.93 -0.04 0.00 1.55 0.00 0.00 64.86 64.43 2iul h ILE 529 Cb 0.50 2.18 -0.01 0.00 -0.27 0.00 0.00 36.82 39.22 2iul h ILE 529 CO 0.02 0.46 -0.10 0.06 -1.05 0.00 0.00 178.15 177.54 2iul h GLN 530 N 0.00 0.21 -0.17 0.16 3.07 -0.86 0.11 115.11 117.63 2iul h GLN 530 Ca -0.00 -0.04 -0.19 0.00 0.09 0.00 0.00 58.65 58.51 2iul h GLN 530 Cb 1.14 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.67 2iul h GLN 530 CO 0.06 0.32 -0.65 0.74 0.09 0.00 0.00 178.83 179.40 2iul h PHE 531 N 0.20 0.84 -0.69 0.06 -1.00 -1.65 -0.02 116.94 114.68 2iul h PHE 531 Ca 0.04 -0.33 0.01 0.00 2.81 0.00 0.00 57.97 60.49 2iul h PHE 531 Cb 0.31 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 2iul h PHE 531 CO 0.00 1.12 0.45 1.96 -1.61 0.00 0.00 178.31 180.23 2iul h GLN 532 N 0.47 0.92 -0.35 1.51 4.20 -1.29 -0.91 115.11 119.66 2iul h GLN 532 Ca -0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 2iul h GLN 532 Cb 1.23 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 2iul h GLN 532 CO 0.13 0.61 0.03 0.74 -0.67 0.00 0.00 178.83 179.67 2iul h PHE 533 N 0.94 0.64 -0.14 2.96 0.04 -0.69 -1.74 116.94 118.95 2iul h PHE 533 Ca 0.25 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.97 2iul h PHE 533 Cb -0.10 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 37.83 2iul h PHE 533 CO -0.02 0.68 -0.17 1.25 -0.60 0.00 0.00 178.31 179.45 2iul h HIS 534 N 0.42 -0.43 -0.14 -0.55 2.76 -0.81 0.70 115.15 117.11 2iul h HIS 534 Ca 0.10 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2iul h HIS 534 Cb 0.41 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 2iul h HIS 534 CO 0.03 -0.24 -0.06 1.49 -1.30 0.00 0.00 177.93 177.85 2iul h GLU 535 N -0.20 -0.04 -0.48 5.26 4.81 -1.09 -0.22 114.58 122.61 2iul h GLU 535 Ca 0.10 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2iul h GLU 535 Cb 0.35 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2iul h GLU 535 CO -0.26 -0.03 0.22 0.00 -0.73 0.00 0.00 179.01 178.21 2iul h ALA 536 N 1.09 0.62 -0.47 2.92 0.00 -1.08 -1.42 119.26 120.91 2iul h ALA 536 Ca 0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2iul h ALA 536 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2iul h ALA 536 CO -0.17 0.20 -0.09 -0.07 0.00 0.00 0.00 179.25 179.12 2iul h LEU 537 N 0.63 0.84 -0.39 0.00 4.07 -0.70 -0.19 115.31 119.56 2iul h LEU 537 Ca 0.16 -0.25 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 2iul h LEU 537 Cb 0.14 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2iul h LEU 537 CO -0.02 0.95 0.03 0.00 -1.08 0.00 0.00 178.44 178.32 2iul h GLN 539 N 0.51 0.11 -0.19 0.00 -0.00 -1.09 -0.63 115.11 113.82 2iul h GLN 539 Ca 0.11 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.79 2iul h GLN 539 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 2iul h GLN 539 CO 0.01 0.08 0.13 0.00 0.00 0.00 0.00 178.83 179.05 2iul h ALA 540 N 1.15 2.01 -0.01 3.38 0.00 -0.72 -0.66 119.26 124.41 2iul h ALA 540 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2iul h ALA 540 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2iul h ALA 540 CO -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 2iul n ALA 541 N -2.54 2.65 -1.09 0.00 0.00 0.03 -4.72 120.51 114.84 2iul n ALA 541 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 2iul n ALA 541 Cb 0.17 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 2iul n ALA 541 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iul n GLY 542 N 1.13 0.44 3.75 0.00 0.00 -0.26 -5.02 105.19 105.23 2iul n GLY 542 Ca 0.20 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2iul n GLY 542 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2iul s HIS 543 N -2.03 3.24 0.23 1.61 5.65 -0.30 -5.02 115.29 118.67 2iul s HIS 543 Ca 0.00 1.37 0.07 0.00 0.25 0.00 0.00 55.06 56.74 2iul s HIS 543 Cb 0.00 -3.58 -0.05 0.00 -1.18 0.00 0.00 32.58 27.77 2iul s HIS 543 CO 0.00 -1.65 -0.10 0.95 -0.65 0.00 0.00 174.74 173.29 2iul s THR 544 N -0.52 1.61 0.00 0.89 -4.23 -1.26 -4.65 115.64 107.48 2iul s THR 544 Ca 0.52 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2iul s THR 544 Cb -0.37 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2iul s THR 544 CO 0.44 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2iul n GLY 545 N -0.46 -2.58 3.68 3.99 0.00 -1.26 -4.96 105.19 103.60 2iul n GLY 545 Ca -0.07 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 2iul n GLY 545 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2iul n PRO 546 N -0.22 2.03 -0.35 1.61 -0.02 -1.26 -4.89 135.00 131.90 2iul n PRO 546 Ca 0.00 0.72 0.04 0.00 -2.02 0.00 0.00 63.50 62.23 2iul n PRO 546 Cb 0.00 -2.34 0.20 0.00 -0.02 0.00 0.00 33.50 31.34 2iul n PRO 546 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2iul h LEU 547 N 3.60 0.99 -0.54 2.45 5.85 -1.90 -2.21 115.31 123.56 2iul h LEU 547 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2iul h LEU 547 Cb 1.28 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2iul h LEU 547 CO 0.71 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 179.43 2iul n HIS 548 N -4.51 0.40 1.28 1.25 1.44 -1.26 -1.50 115.22 112.32 2iul n HIS 548 Ca 0.15 0.18 0.13 0.00 -2.01 0.00 0.00 57.72 56.18 2iul n HIS 548 Cb 0.21 -0.79 0.39 0.00 0.12 0.00 0.00 29.99 29.91 2iul n HIS 548 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2iul n LYS 549 N -1.89 1.04 -2.36 -1.40 5.02 -0.83 -4.95 118.16 112.80 2iul n LYS 549 Ca 0.01 -0.63 -0.41 0.00 -2.02 0.00 0.00 58.31 55.26 2iul n LYS 549 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2iul n LYS 549 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iul s ASP 551 N -0.24 2.48 0.00 0.00 2.15 -1.26 -4.64 116.67 115.16 2iul s ASP 551 Ca 0.50 -0.58 0.08 0.00 0.43 0.00 0.00 52.55 52.98 2iul s ASP 551 Cb -0.34 -0.55 0.27 0.00 -0.30 0.00 0.00 42.92 42.01 2iul s ASP 551 CO 0.40 -0.27 1.21 2.30 -0.17 0.00 0.00 175.17 178.64 2iul n ILE 552 N 5.08 0.24 -1.63 4.11 -5.35 -1.26 -4.93 119.36 115.62 2iul n ILE 552 Ca -0.08 -0.25 -0.48 0.00 -0.27 0.00 0.00 62.75 61.67 2iul n ILE 552 Cb 0.48 0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 38.46 2iul n ILE 552 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2iul n TYR 553 N 0.04 1.81 -0.91 4.28 9.36 -1.26 -1.41 117.16 129.07 2iul n TYR 553 Ca 0.08 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.81 2iul n TYR 553 Cb 0.17 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.48 2iul n TYR 553 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2iul n GLN 554 N 2.35 -0.56 -2.50 2.98 7.27 -1.25 -4.98 117.38 120.69 2iul n GLN 554 Ca 0.15 0.14 -0.43 0.00 0.07 0.00 0.00 57.00 56.93 2iul n GLN 554 Cb 0.26 -3.72 -0.02 0.00 2.41 0.00 0.00 30.24 29.17 2iul n GLN 554 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2iul s SER 555 N -2.21 6.53 0.25 1.69 0.15 -0.50 -4.70 113.70 114.90 2iul s SER 555 Ca 0.00 0.65 0.09 0.00 0.70 0.00 0.00 55.95 57.39 2iul s SER 555 Cb 0.00 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 62.03 2iul s SER 555 CO 0.00 -1.31 1.56 0.11 1.20 0.00 0.00 173.24 174.80 2iul h LYS 556 N 9.76 0.04 -0.69 5.44 1.79 -1.81 -2.15 116.57 128.95 2iul h LYS 556 Ca -0.25 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.14 2iul h LYS 556 Cb 1.08 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 2iul h LYS 556 CO 1.11 0.69 0.22 0.93 -1.08 0.00 0.00 179.45 181.31 2iul h GLU 557 N 0.03 1.08 -0.12 3.15 3.07 -1.87 -1.54 114.58 118.37 2iul h GLU 557 Ca -0.01 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 58.59 2iul h GLU 557 Cb 1.19 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.94 2iul h GLU 557 CO 0.09 0.93 -0.03 0.00 -1.40 0.00 0.00 179.01 178.60 2iul h ALA 558 N 1.10 0.16 -1.00 3.43 0.00 -1.79 -2.86 119.26 118.29 2iul h ALA 558 Ca 0.22 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2iul h ALA 558 Cb 0.30 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2iul h ALA 558 CO -0.01 -0.10 0.64 0.78 0.00 0.00 0.00 179.25 180.56 2iul h GLY 559 N -0.09 1.61 1.10 0.00 0.00 -1.31 -2.34 103.07 102.05 2iul h GLY 559 Ca 0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 2iul h GLY 559 CO 0.01 0.19 -0.05 -1.61 0.00 0.00 0.00 176.54 175.08 2iul h GLN 560 N 1.03 1.06 -0.20 4.80 5.75 -1.23 -0.40 115.11 125.93 2iul h GLN 560 Ca 0.48 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2iul h GLN 560 Cb 0.43 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2iul h GLN 560 CO -0.25 1.06 0.10 0.00 -2.65 0.00 0.00 178.83 177.10 2iul h ARG 561 N 0.95 0.28 -0.38 1.69 3.08 -1.24 -1.98 114.38 116.78 2iul h ARG 561 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2iul h ARG 561 Cb 0.62 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2iul h ARG 561 CO 0.04 0.29 0.25 -0.07 -1.07 0.00 0.00 179.97 179.41 2iul h LEU 562 N 0.20 0.44 -0.33 3.04 3.38 -1.28 -2.84 115.31 117.92 2iul h LEU 562 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2iul h LEU 562 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2iul h LEU 562 CO -0.01 0.33 0.18 0.00 0.09 0.00 0.00 178.44 179.03 2iul h ALA 563 N 1.13 0.43 -0.45 1.53 0.00 -0.98 -0.12 119.26 120.81 2iul h ALA 563 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2iul h ALA 563 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2iul h ALA 563 CO -0.03 -0.04 0.27 1.15 0.00 0.00 0.00 179.25 180.60 2iul h THR 564 N 0.41 1.06 -0.24 0.00 2.02 -1.35 -0.45 112.91 114.36 2iul h THR 564 Ca 0.12 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2iul h THR 564 Cb 0.07 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2iul h THR 564 CO -0.02 0.10 0.06 0.00 0.37 0.00 0.00 175.52 176.03 2iul h ALA 565 N 1.19 0.32 -0.27 6.16 0.00 -1.32 -3.20 119.26 122.14 2iul h ALA 565 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2iul h ALA 565 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2iul h ALA 565 CO -0.07 -0.03 -0.15 0.52 0.00 0.00 0.00 179.25 179.52 2iul h MET 566 N 0.21 0.47 0.00 0.00 2.86 -0.72 -2.56 114.93 115.19 2iul h MET 566 Ca 0.07 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2iul h MET 566 Cb 0.28 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2iul h MET 566 CO 0.00 0.61 -0.03 0.87 1.06 0.00 0.00 176.91 179.42 2iul h LYS 567 N 0.43 0.00 0.00 1.72 1.57 -1.08 -1.85 116.57 117.36 2iul h LYS 567 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2iul h LYS 567 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2iul h LYS 567 CO 0.03 0.03 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.79 2iul h LEU 568 N 0.00 0.00 0.00 2.94 3.38 -1.50 -3.44 115.31 116.70 2iul h LEU 568 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2iul h LEU 568 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2iul h LEU 568 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2iul n GLY 569 N -0.46 2.81 1.93 0.83 0.00 -0.70 -0.75 105.19 108.85 2iul n GLY 569 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.01 2iul n GLY 569 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2iul n PHE 570 N 14.00 2.20 0.25 1.61 7.35 0.28 -3.10 117.46 140.05 2iul n PHE 570 Ca 0.00 -0.86 0.14 0.00 -0.76 0.00 0.00 57.45 55.98 2iul n PHE 570 Cb 0.00 -0.57 0.47 0.00 0.35 0.00 0.00 39.48 39.74 2iul n PHE 570 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2iul h SER 571 N 3.62 0.00 -4.42 -2.13 4.64 -1.14 -3.45 113.55 110.66 2iul h SER 571 Ca 0.08 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.14 2iul h SER 571 Cb 2.09 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 64.03 2iul h SER 571 CO 0.57 0.05 -0.70 -0.13 -0.87 0.00 0.00 176.83 175.74 2iul s ARG 572 N -3.50 0.89 0.54 4.77 1.81 -1.26 -4.90 118.95 117.30 2iul s ARG 572 Ca 0.03 -1.34 -0.21 0.00 -1.72 0.00 0.00 55.73 52.49 2iul s ARG 572 Cb 0.08 -0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 34.19 2iul s ARG 572 CO 0.60 0.02 1.31 -2.14 -0.68 0.00 0.00 175.30 174.41 2iul s PRO 573 N -3.68 3.18 0.53 3.54 0.02 -1.26 -4.89 135.00 132.44 2iul s PRO 573 Ca 0.12 2.11 0.19 0.00 0.02 0.00 0.00 61.00 63.44 2iul s PRO 573 Cb 0.04 -2.22 1.36 0.00 0.02 0.00 0.00 34.50 33.70 2iul s PRO 573 CO -0.03 -1.12 2.16 0.11 -0.33 0.00 0.00 177.00 177.79 2iul h TRP 574 N 1.44 0.00 -0.04 6.54 5.08 -1.88 -2.24 115.95 124.84 2iul h TRP 574 Ca -0.51 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.48 2iul h TRP 574 Cb 1.29 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.45 2iul h TRP 574 CO 0.47 0.00 0.07 -1.35 -1.28 0.00 0.00 178.44 176.35 2iul h PRO 575 N 0.00 0.00 -0.20 0.12 0.11 -1.90 -1.38 132.00 128.74 2iul h PRO 575 Ca 0.01 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2iul h PRO 575 Cb 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2iul h PRO 575 CO -0.00 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 178.71 2iul h GLU 576 N 0.00 0.36 -0.54 1.05 5.08 -1.73 -0.09 114.58 118.71 2iul h GLU 576 Ca 0.02 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2iul h GLU 576 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2iul h GLU 576 CO -0.00 0.57 0.01 0.00 -1.00 0.00 0.00 179.01 178.60 2iul h ALA 577 N 0.78 1.01 -0.51 3.43 0.00 -1.50 -1.34 119.26 121.13 2iul h ALA 577 Ca 0.06 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2iul h ALA 577 Cb 0.41 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2iul h ALA 577 CO 0.01 0.61 0.27 1.98 0.00 0.00 0.00 179.25 182.12 2iul h MET 578 N 0.84 0.51 -0.53 0.00 1.85 -1.23 -2.34 114.93 114.03 2iul h MET 578 Ca 0.16 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 2iul h MET 578 Cb 0.48 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 2iul h MET 578 CO 0.02 0.34 0.34 0.37 -0.40 0.00 0.00 176.91 177.59 2iul h GLN 579 N 0.53 0.70 -0.95 0.39 5.75 -0.58 -0.63 115.11 120.31 2iul h GLN 579 Ca 0.22 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2iul h GLN 579 Cb 0.11 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.45 2iul h GLN 579 CO -0.14 0.48 0.63 -0.07 -2.65 0.00 0.00 178.83 177.07 2iul h LEU 580 N 0.72 1.10 0.04 -2.39 3.38 -0.99 0.13 115.31 117.29 2iul h LEU 580 Ca 0.19 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2iul h LEU 580 Cb -0.07 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.42 2iul h LEU 580 CO -0.04 0.80 -0.33 0.40 0.09 0.00 0.00 178.44 179.36 2iul h ILE 581 N 1.29 1.61 -0.00 1.22 2.04 -1.23 -3.41 117.51 119.03 2iul h ILE 581 Ca 0.35 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2iul h ILE 581 Cb -0.14 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2iul h ILE 581 CO -0.07 0.61 -0.42 0.35 0.00 0.00 0.00 178.15 178.61 2iul n THR 582 N -4.43 0.00 -1.07 -0.27 -2.24 -0.26 -4.69 114.28 101.32 2iul n THR 582 Ca -0.11 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 2iul n THR 582 Cb 0.59 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 2iul n THR 582 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iul n GLY 583 N 1.15 0.55 3.80 3.38 0.00 0.46 -4.97 105.19 109.56 2iul n GLY 583 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 2iul n GLY 583 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2iul s GLN 584 N -1.32 1.66 0.00 1.61 1.03 -1.24 -4.98 119.66 116.41 2iul s GLN 584 Ca 0.00 -0.89 0.16 0.00 0.04 0.00 0.00 55.36 54.67 2iul s GLN 584 Cb 0.00 0.59 -0.07 0.00 0.03 0.00 0.00 33.01 33.55 2iul s GLN 584 CO 0.00 -0.76 0.77 -0.35 -2.54 0.00 0.00 175.29 172.41 2iul n PRO 585 N -0.45 1.79 -4.07 9.60 -0.04 -1.26 -2.31 135.00 138.26 2iul n PRO 585 Ca -0.06 -0.46 -0.28 0.00 -0.04 0.00 0.00 63.50 62.66 2iul n PRO 585 Cb 0.60 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.74 2iul n PRO 585 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2iul s GLN 586 N -2.14 2.87 0.29 0.54 -0.21 -1.26 -4.56 119.66 115.19 2iul s GLN 586 Ca 0.10 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 2iul s GLN 586 Cb 0.12 -2.67 -0.10 0.00 1.00 0.00 0.00 33.01 31.37 2iul s GLN 586 CO 0.50 0.52 1.11 -1.64 -2.12 0.00 0.00 175.29 173.66 2iul s MET 587 N -2.77 4.59 -0.20 2.91 -1.94 -1.26 -5.04 119.30 115.60 2iul s MET 587 Ca 0.30 1.81 -0.13 0.00 -1.71 0.00 0.00 55.69 55.95 2iul s MET 587 Cb -0.11 -3.14 0.06 0.00 2.01 0.00 0.00 34.83 33.65 2iul s MET 587 CO 0.23 0.17 0.49 0.45 -0.01 0.00 0.00 175.02 176.35 2iul s SER 588 N -0.91 -0.60 0.00 3.03 0.15 -1.26 -5.03 113.70 109.08 2iul s SER 588 Ca 0.46 1.05 0.26 0.00 0.70 0.00 0.00 55.95 58.41 2iul s SER 588 Cb -0.32 0.97 1.24 0.00 -1.71 0.00 0.00 66.02 66.21 2iul s SER 588 CO 0.41 -0.20 1.85 0.00 1.20 0.00 0.00 173.24 176.51 2iul n ALA 589 N 3.79 2.26 -0.34 5.45 0.00 -1.26 -4.28 120.51 126.12 2iul n ALA 589 Ca -0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 2iul n ALA 589 Cb 0.56 -1.42 0.09 0.00 0.00 0.00 0.00 19.45 18.69 2iul n ALA 589 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2iul h SER 590 N 0.00 1.07 -0.44 0.00 4.64 -1.95 -0.68 113.55 116.18 2iul h SER 590 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2iul h SER 590 Cb 0.29 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2iul h SER 590 CO 0.00 0.79 0.28 0.00 -0.87 0.00 0.00 176.83 177.03 2iul h ALA 591 N 1.33 0.57 -0.47 5.18 0.00 -1.89 0.80 119.26 124.77 2iul h ALA 591 Ca 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2iul h ALA 591 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2iul h ALA 591 CO -0.07 0.03 0.13 1.98 0.00 0.00 0.00 179.25 181.32 2iul h MET 592 N 0.60 0.75 -0.42 0.00 -1.53 -1.75 -0.17 114.93 112.41 2iul h MET 592 Ca 0.16 -0.17 0.03 0.00 -3.44 0.00 0.00 59.70 56.27 2iul h MET 592 Cb -0.04 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 30.88 2iul h MET 592 CO -0.03 0.73 0.22 -0.07 0.14 0.00 0.00 176.91 177.90 2iul h LEU 593 N 0.63 0.34 -0.39 3.39 3.38 -0.93 -2.07 115.31 119.67 2iul h LEU 593 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2iul h LEU 593 Cb 0.31 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2iul h LEU 593 CO -0.00 0.24 0.19 -1.28 0.09 0.00 0.00 178.44 177.69 2iul h SER 594 N 0.45 0.50 -0.60 -0.43 0.87 -0.63 0.06 113.55 113.77 2iul h SER 594 Ca 0.18 -0.11 0.12 0.00 -1.23 0.00 0.00 61.79 60.74 2iul h SER 594 Cb 0.06 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 61.79 2iul h SER 594 CO -0.11 0.47 0.03 0.22 -0.53 0.00 0.00 176.83 176.91 2iul h TYR 595 N 0.49 0.02 -0.22 2.24 3.20 -0.85 -2.87 116.97 118.98 2iul h TYR 595 Ca 0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2iul h TYR 595 Cb 0.10 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2iul h TYR 595 CO -0.02 -0.13 0.00 1.19 -1.64 0.00 0.00 178.16 177.56 2iul n PHE 596 N -5.24 0.28 -0.18 -3.82 3.01 -0.79 -4.51 117.46 106.21 2iul n PHE 596 Ca 0.09 -0.14 -0.01 0.00 1.01 0.00 0.00 57.45 58.40 2iul n PHE 596 Cb 0.34 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.88 2iul n PHE 596 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2iul h LYS 597 N 3.51 0.08 -0.22 -1.08 1.63 -0.75 0.04 116.57 119.78 2iul h LYS 597 Ca 0.00 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2iul h LYS 597 Cb 0.76 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2iul h LYS 597 CO 0.00 0.05 -0.01 -1.35 -3.45 0.00 0.00 179.45 174.69 2iul h PRO 598 N 0.08 0.32 -0.35 1.90 0.11 -1.82 -1.94 132.00 130.30 2iul h PRO 598 Ca 0.28 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.17 2iul h PRO 598 Cb 0.44 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 2iul h PRO 598 CO -0.50 0.35 -0.44 1.25 -0.21 0.00 0.00 178.00 178.45 2iul h LEU 599 N 0.31 0.99 -0.66 2.35 5.85 -1.41 -2.11 115.31 120.63 2iul h LEU 599 Ca 0.07 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.34 2iul h LEU 599 Cb 0.23 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2iul h LEU 599 CO 0.01 1.28 0.41 0.25 -0.34 0.00 0.00 178.44 180.05 2iul h LEU 600 N 0.73 0.68 -0.46 2.25 5.85 -0.58 0.10 115.31 123.89 2iul h LEU 600 Ca 0.05 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2iul h LEU 600 Cb 1.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2iul h LEU 600 CO 0.10 0.48 0.30 0.44 -0.34 0.00 0.00 178.44 179.42 2iul h ASP 601 N 0.82 0.51 -0.41 1.25 3.32 -1.32 -0.89 116.42 119.69 2iul h ASP 601 Ca 0.26 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 2iul h ASP 601 Cb -0.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2iul h ASP 601 CO -0.09 0.37 0.17 -0.25 -1.72 0.00 0.00 179.24 177.71 2iul h TRP 602 N 0.60 0.62 -0.56 4.55 7.01 -0.86 -2.37 115.95 124.96 2iul h TRP 602 Ca 0.17 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 2iul h TRP 602 Cb -0.05 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 2iul h TRP 602 CO -0.05 0.55 0.19 -0.07 -2.79 0.00 0.00 178.44 176.27 2iul h LEU 603 N 0.52 0.80 -0.51 0.65 3.38 -0.66 0.14 115.31 119.63 2iul h LEU 603 Ca 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2iul h LEU 603 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2iul h LEU 603 CO -0.01 0.78 0.33 0.03 0.09 0.00 0.00 178.44 179.65 2iul h ARG 604 N 0.77 0.68 -0.19 1.13 3.08 -1.09 0.20 114.38 118.97 2iul h ARG 604 Ca 0.18 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2iul h ARG 604 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2iul h ARG 604 CO -0.01 0.47 0.05 1.15 -1.07 0.00 0.00 179.97 180.55 2iul h THR 605 N 0.69 1.20 0.03 2.04 2.02 -1.16 -1.20 112.91 116.52 2iul h THR 605 Ca 0.19 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 2iul h THR 605 Cb -0.05 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2iul h THR 605 CO -0.04 0.20 -0.01 -0.08 0.37 0.00 0.00 175.52 175.96 2iul h GLU 606 N 0.11 -0.03 -0.79 6.66 4.57 -0.83 -2.21 114.58 122.07 2iul h GLU 606 Ca 0.06 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2iul h GLU 606 Cb 0.26 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2iul h GLU 606 CO 0.00 0.09 0.32 -0.91 -1.18 0.00 0.00 179.01 177.33 2iul h ASN 607 N -0.16 1.08 -0.73 1.04 2.35 -0.60 -2.91 115.58 115.65 2iul h ASN 607 Ca -0.00 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 2iul h ASN 607 Cb 0.15 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2iul h ASN 607 CO 0.01 0.96 0.38 -0.08 -1.65 0.00 0.00 177.43 177.04 2iul h GLU 608 N 1.14 1.03 0.00 0.81 4.81 -1.14 -0.83 114.58 120.40 2iul h GLU 608 Ca 0.26 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2iul h GLU 608 Cb 0.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2iul h GLU 608 CO -0.02 0.79 -0.18 1.37 -0.73 0.00 0.00 179.01 180.24 2iul h LEU 609 N 1.01 0.00 -1.27 1.64 8.10 -1.21 -1.87 115.31 121.71 2iul h LEU 609 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.24 2iul h LEU 609 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 2iul h LEU 609 CO -0.04 0.18 -0.10 1.41 -4.11 0.00 0.00 178.44 175.78 2iul n HIS 610 N -3.40 0.00 -3.23 0.17 8.25 -1.08 -4.98 115.22 110.96 2iul n HIS 610 Ca -0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2iul n HIS 610 Cb 0.38 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.52 2iul n HIS 610 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2iul n GLY 611 N 1.30 -0.19 3.76 -1.41 0.00 -0.57 -4.96 105.19 103.12 2iul n GLY 611 Ca 0.15 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2iul n GLY 611 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iul s GLU 612 N -5.88 4.38 -0.33 1.61 0.41 -0.42 -4.99 118.70 113.47 2iul s GLU 612 Ca 0.40 2.17 -0.24 0.00 -0.41 0.00 0.00 54.97 56.89 2iul s GLU 612 Cb -0.18 -3.10 0.01 0.00 -1.78 0.00 0.00 34.13 29.08 2iul s GLU 612 CO 0.50 -0.18 0.84 0.21 -0.49 0.00 0.00 175.26 176.14 2iul s LYS 613 N -1.46 3.92 0.23 1.61 2.47 -1.26 -4.88 119.74 120.37 2iul s LYS 613 Ca 0.50 0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 55.21 2iul s LYS 613 Cb -0.39 -3.75 -0.09 0.00 -1.46 0.00 0.00 37.83 32.14 2iul s LYS 613 CO 0.49 -0.78 1.15 -0.51 0.16 0.00 0.00 175.35 175.86 2iul s LEU 614 N 3.14 4.50 0.00 5.43 1.43 -1.26 -4.80 118.68 127.12 2iul s LEU 614 Ca 0.35 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2iul s LEU 614 Cb -0.13 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2iul s LEU 614 CO 0.15 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2iul n GLY 615 N 1.68 -1.79 2.21 -3.19 0.00 -1.26 -4.78 105.19 98.05 2iul n GLY 615 Ca 0.02 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.08 2iul n GLY 615 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2iul n TRP 616 N 0.00 -0.31 0.12 1.61 2.14 -1.26 -4.67 117.44 115.07 2iul n TRP 616 Ca 0.00 -3.58 0.11 0.00 2.07 0.00 0.00 57.50 56.10 2iul n TRP 616 Cb 0.00 -0.31 0.61 0.00 -0.81 0.00 0.00 31.31 30.79 2iul n TRP 616 CO 0.00 0.00 0.00 -1.00 2.07 0.00 0.00 177.69 178.76 2iul h PRO 617 N 3.73 0.12 -2.80 -2.67 0.13 -1.85 -2.24 132.00 126.43 2iul h PRO 617 Ca 0.07 -0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.58 2iul h PRO 617 Cb 0.91 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2iul h PRO 617 CO 0.47 0.08 3.07 1.04 -0.23 0.00 0.00 178.00 182.42 2iul n GLN 618 N -4.48 3.59 0.20 0.86 6.02 -0.90 -4.75 117.38 117.91 2iul n GLN 618 Ca 0.03 -2.22 0.14 0.00 -0.01 0.00 0.00 57.00 54.94 2iul n GLN 618 Cb 0.25 -2.66 0.55 0.00 1.02 0.00 0.00 30.24 29.39 2iul n GLN 618 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 2iul h TYR 619 N 4.65 0.00 0.00 1.08 -0.00 -1.66 -2.35 116.97 118.69 2iul h TYR 619 Ca 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.49 2iul h TYR 619 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.18 2iul h TYR 619 CO 1.83 0.00 -0.02 0.09 -0.00 0.00 0.00 178.16 180.06 2iul n ASN 620 N -2.65 0.53 -4.73 0.10 5.03 -1.26 -4.83 115.26 107.45 2iul n ASN 620 Ca 0.02 0.53 -0.42 0.00 0.87 0.00 0.00 54.58 55.57 2iul n ASN 620 Cb 0.30 -0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 38.38 2iul n ASN 620 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 2iul n TRP 621 N -1.99 2.74 -4.15 3.10 -0.00 -0.89 -5.03 117.44 111.23 2iul n TRP 621 Ca 0.06 0.25 -0.10 0.00 -0.00 0.00 0.00 57.50 57.71 2iul n TRP 621 Cb 0.40 -2.59 -0.10 0.00 -0.00 0.00 0.00 31.31 29.02 2iul n TRP 621 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2iul s THR 622 N 0.15 0.61 -2.31 5.87 -4.23 -1.26 -4.63 115.64 109.83 2iul s THR 622 Ca 0.66 -1.88 0.30 0.00 -1.18 0.00 0.00 61.69 59.59 2iul s THR 622 Cb -0.52 -1.61 0.69 0.00 1.34 0.00 0.00 72.50 72.40 2iul s THR 622 CO 0.46 -0.88 1.93 -0.81 -0.54 0.00 0.00 174.62 174.79