#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3n n GLU 67 N 0.00 0.00 -3.78 4.33 2.13 -1.26 -5.26 120.64 116.80 3i3n n GLU 67 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 3i3n n GLU 67 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 3i3n n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i3n s ALA 68 N -2.02 -0.08 -0.04 4.31 0.00 -1.26 -5.15 121.76 117.53 3i3n s ALA 68 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.40 3i3n s ALA 68 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3i3n s ALA 68 CO 0.00 -0.10 -0.22 -2.00 0.00 0.00 0.00 175.76 173.44 3i3n s GLU 69 N 0.85 2.06 -0.05 0.00 2.12 -1.26 -5.11 118.70 117.30 3i3n s GLU 69 Ca -0.07 -0.78 -0.24 0.00 0.36 0.00 0.00 54.97 54.24 3i3n s GLU 69 Cb -0.09 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 3i3n s GLU 69 CO -0.03 0.38 0.73 -0.51 -0.54 0.00 0.00 175.26 175.29 3i3n s ASP 70 N -0.25 7.04 -0.15 -1.70 -0.00 -1.26 -5.05 116.67 115.30 3i3n s ASP 70 Ca 0.01 1.25 -0.03 0.00 -0.00 0.00 0.00 52.55 53.78 3i3n s ASP 70 Cb -0.11 -2.43 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 3i3n s ASP 70 CO 0.02 -0.12 -0.05 0.12 -0.00 0.00 0.00 175.17 175.14 3i3n s PHE 71 N 0.75 3.01 -0.21 4.23 5.36 -1.26 -5.09 117.98 124.76 3i3n s PHE 71 Ca 0.39 -0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 56.02 3i3n s PHE 71 Cb -0.18 -1.95 0.06 0.00 -0.34 0.00 0.00 43.02 40.61 3i3n s PHE 71 CO 0.19 -0.05 -0.00 -2.00 -1.46 0.00 0.00 175.22 171.90 3i3n s GLU 72 N 0.36 1.09 -0.61 10.12 2.12 -1.26 -5.08 118.70 125.44 3i3n s GLU 72 Ca -0.05 -0.68 -0.27 0.00 0.36 0.00 0.00 54.97 54.33 3i3n s GLU 72 Cb -0.14 -2.33 0.04 0.00 0.26 0.00 0.00 34.13 31.95 3i3n s GLU 72 CO 0.03 -0.62 1.14 0.00 -0.54 0.00 0.00 175.26 175.26 3i3n h SER 74 N 9.59 0.36 0.77 0.00 4.64 -2.06 -2.84 113.55 124.00 3i3n h SER 74 Ca -0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 3i3n h SER 74 Cb 1.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3i3n h SER 74 CO 1.18 0.23 -1.29 -1.54 -0.87 0.00 0.00 176.83 174.55 3i3n n SER 75 N -4.47 0.76 -0.23 4.97 3.41 -1.26 -4.56 113.62 112.23 3i3n n SER 75 Ca 0.07 0.31 0.07 0.00 -0.26 0.00 0.00 58.87 59.06 3i3n n SER 75 Cb 0.26 0.47 0.15 0.00 -0.26 0.00 0.00 64.21 64.84 3i3n n SER 75 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3i3n n HIS 76 N -2.73 0.35 -0.14 7.33 -0.00 -1.07 -1.35 115.22 117.61 3i3n n HIS 76 Ca -0.05 0.81 -0.10 0.00 -0.00 0.00 0.00 57.72 58.38 3i3n n HIS 76 Cb 0.68 -0.95 0.03 0.00 -0.00 0.00 0.00 29.99 29.76 3i3n n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i3n h SER 78 N 0.80 0.07 -0.81 0.00 0.02 -1.53 -1.71 113.55 110.40 3i3n h SER 78 Ca 0.11 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3i3n h SER 78 Cb 0.76 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 3i3n h SER 78 CO 0.06 0.17 0.53 -0.33 -1.14 0.00 0.00 176.83 176.13 3i3n h GLU 79 N -0.03 0.96 0.09 3.45 5.08 -1.27 -0.49 114.58 122.37 3i3n h GLU 79 Ca 0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i3n h GLU 79 Cb 0.12 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3i3n h GLU 79 CO -0.00 0.64 -0.05 1.25 -1.00 0.00 0.00 179.01 179.85 3i3n h LEU 80 N 0.99 -0.11 -1.29 1.33 5.85 -0.68 -1.83 115.31 119.58 3i3n h LEU 80 Ca 0.32 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3i3n h LEU 80 Cb 0.05 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3i3n h LEU 80 CO -0.10 0.13 -0.29 0.77 -0.34 0.00 0.00 178.44 178.61 3i3n h SER 81 N -0.34 0.00 0.21 1.25 4.64 -0.91 -1.70 113.55 116.70 3i3n h SER 81 Ca -0.01 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 3i3n h SER 81 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3i3n h SER 81 CO 0.02 0.29 -0.88 -0.50 -0.87 0.00 0.00 176.83 174.89 3i3n h TRP 82 N 0.00 0.71 -0.38 4.77 4.06 -0.95 -2.45 115.95 121.71 3i3n h TRP 82 Ca -0.00 -0.36 -0.16 0.00 2.06 0.00 0.00 58.89 60.43 3i3n h TRP 82 Cb 0.68 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 3i3n h TRP 82 CO 0.00 1.16 -0.38 0.00 -3.56 0.00 0.00 178.44 175.67 3i3n h ARG 83 N 0.30 0.92 -0.40 0.49 3.08 -1.08 -0.17 114.38 117.52 3i3n h ARG 83 Ca -0.07 -0.49 0.02 0.00 0.07 0.00 0.00 59.98 59.51 3i3n h ARG 83 Cb 1.50 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.55 3i3n h ARG 83 CO 0.16 1.14 0.27 1.96 -1.07 0.00 0.00 179.97 182.43 3i3n h GLN 84 N 0.74 0.46 -0.21 0.04 4.20 -1.30 0.12 115.11 119.16 3i3n h GLN 84 Ca 0.06 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 3i3n h GLN 84 Cb 0.97 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3i3n h GLN 84 CO 0.09 0.31 -0.10 -0.97 -0.67 0.00 0.00 178.83 177.49 3i3n h ASN 85 N 0.48 0.46 -0.54 1.46 -1.24 -0.85 -1.04 115.58 114.31 3i3n h ASN 85 Ca 0.16 -0.41 0.02 0.00 0.71 0.00 0.00 56.30 56.78 3i3n h ASN 85 Cb 0.04 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 3i3n h ASN 85 CO -0.04 0.76 0.36 -0.33 -1.29 0.00 0.00 177.43 176.89 3i3n h GLU 86 N 0.15 0.65 -0.67 6.67 4.39 -0.19 -0.62 114.58 124.95 3i3n h GLU 86 Ca 0.05 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3i3n h GLU 86 Cb 0.59 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3i3n h GLU 86 CO 0.03 0.43 0.25 1.96 -1.16 0.00 0.00 179.01 180.52 3i3n h GLN 87 N 0.66 1.02 -0.57 2.33 4.20 -0.50 -2.80 115.11 119.45 3i3n h GLN 87 Ca 0.21 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3i3n h GLN 87 Cb 0.02 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3i3n h GLN 87 CO -0.05 0.86 0.30 -0.09 -0.67 0.00 0.00 178.83 179.18 3i3n h ARG 88 N 0.96 0.80 0.00 1.46 2.43 0.19 0.13 114.38 120.34 3i3n h ARG 88 Ca 0.22 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3i3n h ARG 88 Cb 0.23 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3i3n h ARG 88 CO -0.02 0.62 0.00 0.00 -1.51 0.00 0.00 179.97 179.07 3i3n h ARG 89 N 0.77 0.00 -0.15 0.20 3.08 -0.98 -0.87 114.38 116.42 3i3n h ARG 89 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3i3n h ARG 89 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3i3n h ARG 89 CO -0.03 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.91 3i3n n GLN 90 N -3.04 1.51 -0.95 0.04 6.02 -0.85 -4.98 117.38 115.14 3i3n n GLN 90 Ca -0.02 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 3i3n n GLN 90 Cb 0.12 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3i3n n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3n n GLY 91 N 0.62 0.55 3.68 1.08 0.00 -0.33 -4.98 105.19 105.79 3i3n n GLY 91 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3i3n n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3n s LEU 92 N 0.00 4.32 -0.92 0.99 1.43 0.30 -3.02 118.68 121.78 3i3n s LEU 92 Ca 0.00 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 3i3n s LEU 92 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3i3n s LEU 92 CO 0.00 -0.84 0.00 0.49 0.23 0.00 0.00 176.35 176.23 3i3n n PHE 93 N 6.16 0.00 -2.54 0.29 3.72 -1.26 -4.56 117.46 119.27 3i3n n PHE 93 Ca 0.15 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.18 3i3n n PHE 93 Cb 0.43 -2.22 -0.04 0.00 -0.94 0.00 0.00 39.48 36.71 3i3n n PHE 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3n n ASP 95 N 0.21 0.86 -3.63 0.00 5.68 -0.96 -4.96 116.55 113.74 3i3n n ASP 95 Ca 0.04 -2.33 -0.12 0.00 -0.50 0.00 0.00 54.79 51.88 3i3n n ASP 95 Cb 0.49 -0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.09 3i3n n ASP 95 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 3i3n s ILE 96 N -0.66 0.00 -0.19 2.12 2.07 -1.15 -4.73 121.20 118.65 3i3n s ILE 96 Ca 0.22 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 3i3n s ILE 96 Cb 0.24 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.87 3i3n s ILE 96 CO -0.08 0.00 -0.07 -0.89 -1.91 0.00 0.00 174.94 171.99 3i3n s THR 97 N 0.38 1.42 -0.39 4.00 2.01 -0.13 -1.47 115.64 121.46 3i3n s THR 97 Ca 0.01 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.82 3i3n s THR 97 Cb -0.05 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.91 3i3n s THR 97 CO -0.02 0.10 1.00 -0.76 -0.69 0.00 0.00 174.62 174.24 3i3n s LEU 98 N 1.49 3.91 -0.24 4.42 1.43 0.11 -1.60 118.68 128.20 3i3n s LEU 98 Ca -0.01 0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 53.64 3i3n s LEU 98 Cb -0.16 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3i3n s LEU 98 CO -0.08 -0.96 0.09 0.00 0.23 0.00 0.00 176.35 175.64 3i3n n PHE 100 N 4.66 0.50 0.05 0.00 3.01 -1.09 -4.40 117.46 120.18 3i3n n PHE 100 Ca -0.16 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.52 3i3n n PHE 100 Cb 0.52 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 3i3n n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i3n n GLY 101 N 1.48 -0.07 0.00 1.37 0.00 -1.26 -4.95 105.19 101.75 3i3n n GLY 101 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i3n n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3n n GLY 105 N 2.70 0.82 3.75 -0.02 0.00 -1.26 -5.16 105.19 106.01 3i3n n GLY 105 Ca 0.00 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 3i3n n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3n s ARG 106 N -1.49 4.51 -0.02 1.61 1.81 -1.26 -5.08 118.95 119.03 3i3n s ARG 106 Ca 0.00 1.09 0.02 0.00 -1.72 0.00 0.00 55.73 55.13 3i3n s ARG 106 Cb 0.00 -3.33 -0.03 0.00 -0.45 0.00 0.00 34.95 31.14 3i3n s ARG 106 CO 0.00 0.37 -0.07 -1.21 -0.68 0.00 0.00 175.30 173.71 3i3n s GLU 107 N -0.38 2.63 -0.16 3.54 2.02 -1.26 -2.69 118.70 122.40 3i3n s GLU 107 Ca 0.38 -0.66 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 3i3n s GLU 107 Cb -0.21 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.52 3i3n s GLU 107 CO 0.24 0.63 -0.09 -0.06 0.02 0.00 0.00 175.26 176.00 3i3n s PHE 108 N -0.93 1.90 0.32 1.61 0.08 -0.29 -4.96 117.98 115.71 3i3n s PHE 108 Ca 0.15 -1.13 -0.16 0.00 0.12 0.00 0.00 56.93 55.91 3i3n s PHE 108 Cb -0.11 -1.42 -0.09 0.00 -0.57 0.00 0.00 43.02 40.83 3i3n s PHE 108 CO 0.05 -0.63 0.76 1.03 -0.10 0.00 0.00 175.22 176.33 3i3n s ARG 109 N 1.57 4.07 0.27 0.44 0.52 -1.26 0.08 118.95 124.63 3i3n s ARG 109 Ca 0.02 0.75 -0.21 0.00 -0.52 0.00 0.00 55.73 55.78 3i3n s ARG 109 Cb -0.14 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 32.91 3i3n s ARG 109 CO -0.09 0.17 0.84 0.00 0.02 0.00 0.00 175.30 176.24 3i3n s ALA 110 N -1.94 -1.24 -0.17 2.13 0.00 -0.54 -4.92 121.76 115.08 3i3n s ALA 110 Ca 0.54 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 3i3n s ALA 110 Cb -0.11 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3i3n s ALA 110 CO 0.17 -1.03 0.02 -1.01 0.00 0.00 0.00 175.76 173.91 3i3n s HIS 111 N -3.06 3.14 0.21 0.00 0.09 -1.26 -2.27 115.29 112.13 3i3n s HIS 111 Ca 0.14 -0.12 -0.10 0.00 -0.00 0.00 0.00 55.06 54.98 3i3n s HIS 111 Cb -0.04 -2.03 0.25 0.00 -0.00 0.00 0.00 32.58 30.75 3i3n s HIS 111 CO 0.07 0.04 1.78 0.00 -0.00 0.00 0.00 174.74 176.63 3i3n h ARG 112 N 6.78 0.55 -0.98 1.40 3.08 -1.92 -1.57 114.38 121.72 3i3n h ARG 112 Ca -0.34 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 59.80 3i3n h ARG 112 Cb 1.18 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 31.02 3i3n h ARG 112 CO 0.66 0.36 0.60 1.03 -1.07 0.00 0.00 179.97 181.56 3i3n h SER 113 N 0.56 0.87 -0.06 7.04 0.87 -1.99 0.25 113.55 121.10 3i3n h SER 113 Ca 0.30 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.79 3i3n h SER 113 Cb 0.26 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3i3n h SER 113 CO -0.22 0.45 -0.45 0.58 -0.53 0.00 0.00 176.83 176.66 3i3n h VAL 114 N 0.94 1.42 0.02 2.23 2.07 -1.82 -2.53 116.25 118.58 3i3n h VAL 114 Ca 0.49 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 66.15 3i3n h VAL 114 Cb 0.52 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3i3n h VAL 114 CO -0.28 0.55 -0.05 -0.07 0.02 0.00 0.00 177.57 177.73 3i3n h LEU 115 N -0.08 -0.15 -1.68 2.57 3.38 -0.76 -0.84 115.31 117.75 3i3n h LEU 115 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3i3n h LEU 115 Cb 1.12 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3i3n h LEU 115 CO 0.09 -0.08 0.06 0.00 0.09 0.00 0.00 178.44 178.60 3i3n h ALA 116 N 0.87 1.75 -0.17 1.53 0.00 -1.05 -2.08 119.26 120.11 3i3n h ALA 116 Ca 0.02 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3i3n h ALA 116 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i3n h ALA 116 CO -0.04 0.20 -0.54 0.00 0.00 0.00 0.00 179.25 178.87 3i3n h ALA 117 N 1.80 0.75 -0.20 0.00 0.00 -0.94 -3.20 119.26 117.48 3i3n h ALA 117 Ca 0.07 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 3i3n h ALA 117 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i3n h ALA 117 CO -0.01 0.69 -0.61 0.00 0.00 0.00 0.00 179.25 179.33 3i3n h ALA 118 N 1.03 0.55 -2.61 0.00 0.00 -0.53 -3.46 119.26 114.24 3i3n h ALA 118 Ca 0.01 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3i3n h ALA 118 Cb 1.07 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.56 3i3n h ALA 118 CO 0.10 0.69 -0.19 -0.08 0.00 0.00 0.00 179.25 179.77 3i3n s THR 119 N -3.96 0.01 -0.72 0.00 -1.32 -0.86 -4.99 115.64 103.79 3i3n s THR 119 Ca -0.09 -0.07 0.12 0.00 -1.21 0.00 0.00 61.69 60.45 3i3n s THR 119 Cb 0.10 -0.64 0.12 0.00 -1.51 0.00 0.00 72.50 70.57 3i3n s THR 119 CO 0.87 -0.04 1.38 -0.62 -2.21 0.00 0.00 174.62 174.00 3i3n n GLU 120 N 2.51 0.06 -0.05 7.08 -0.58 -1.26 -2.36 120.64 126.04 3i3n n GLU 120 Ca -0.15 0.47 0.05 0.00 -0.42 0.00 0.00 57.16 57.11 3i3n n GLU 120 Cb 0.57 -1.67 0.42 0.00 -0.57 0.00 0.00 31.44 30.19 3i3n n GLU 120 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3i3n h TYR 121 N 0.00 0.56 0.00 -0.32 3.20 -1.91 -2.68 116.97 115.82 3i3n h TYR 121 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3i3n h TYR 121 Cb 0.11 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3i3n h TYR 121 CO 0.00 0.33 -0.83 1.19 -1.64 0.00 0.00 178.16 177.21 3i3n n PHE 122 N -4.47 0.06 -0.26 -3.82 3.72 -1.00 -4.26 117.46 107.43 3i3n n PHE 122 Ca 0.05 0.02 -0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3i3n n PHE 122 Cb 0.13 -0.20 0.12 0.00 -0.94 0.00 0.00 39.48 38.59 3i3n n PHE 122 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3i3n h THR 123 N 0.00 0.98 0.00 4.37 2.02 -1.59 -1.96 112.91 116.73 3i3n h THR 123 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3i3n h THR 123 Cb 0.56 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3i3n h THR 123 CO 0.00 0.14 0.00 -2.65 0.37 0.00 0.00 175.52 173.38 3i3n n PRO 124 N -4.73 0.01 -0.12 6.66 -0.02 -1.26 -1.94 135.00 133.61 3i3n n PRO 124 Ca 0.10 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3i3n n PRO 124 Cb 0.19 -1.13 0.22 0.00 -0.02 0.00 0.00 33.50 32.76 3i3n n PRO 124 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i3n n LEU 125 N -0.63 3.05 0.02 2.45 -0.00 -0.74 -3.14 117.00 118.01 3i3n n LEU 125 Ca 0.00 -1.23 -0.02 0.00 -0.00 0.00 0.00 56.01 54.76 3i3n n LEU 125 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 43.42 43.25 3i3n n LEU 125 CO 0.00 0.62 0.06 -0.07 -0.00 0.00 0.00 177.39 178.00 3i3n h LEU 126 N 4.16 -0.13 -1.91 1.47 3.38 -1.61 -3.30 115.31 117.38 3i3n h LEU 126 Ca 0.00 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.34 3i3n h LEU 126 Cb 0.91 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3i3n h LEU 126 CO 0.00 0.35 0.89 0.28 0.09 0.00 0.00 178.44 180.05 3i3n h SER 127 N -1.03 0.06 0.00 -0.43 0.02 -1.80 -3.44 113.55 106.92 3i3n h SER 127 Ca -0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i3n h SER 127 Cb 0.12 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3i3n h SER 127 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 3i3n n GLY 128 N -1.75 1.60 0.13 -3.77 0.00 -1.24 -5.01 105.19 95.16 3i3n n GLY 128 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.36 3i3n n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3n n GLN 129 N -0.40 1.17 -4.47 1.61 6.02 -1.19 -4.80 117.38 115.33 3i3n n GLN 129 Ca 0.00 -0.25 -0.30 0.00 -0.01 0.00 0.00 57.00 56.44 3i3n n GLN 129 Cb 0.00 -1.21 -0.12 0.00 1.02 0.00 0.00 30.24 29.93 3i3n n GLN 129 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i3n s PHE 130 N -1.93 2.49 -1.18 1.08 0.40 -1.26 -5.00 117.98 112.57 3i3n s PHE 130 Ca 0.19 -0.29 -0.20 0.00 -0.60 0.00 0.00 56.93 56.03 3i3n s PHE 130 Cb 0.09 -1.37 0.04 0.00 0.51 0.00 0.00 43.02 42.30 3i3n s PHE 130 CO 0.15 0.32 1.69 -1.54 0.70 0.00 0.00 175.22 176.53 3i3n s SER 131 N -1.85 6.44 -0.20 1.36 1.04 -1.26 -4.95 113.70 114.28 3i3n s SER 131 Ca 0.16 -1.96 -0.14 0.00 0.48 0.00 0.00 55.95 54.49 3i3n s SER 131 Cb -0.10 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 3i3n s SER 131 CO 0.07 -1.58 0.31 -1.61 0.98 0.00 0.00 173.24 171.41 3i3n s GLU 132 N 4.87 4.18 0.98 4.02 2.02 -1.22 -4.34 118.70 129.21 3i3n s GLU 132 Ca 0.54 0.06 -0.12 0.00 0.02 0.00 0.00 54.97 55.47 3i3n s GLU 132 Cb 0.02 -3.50 0.18 0.00 0.10 0.00 0.00 34.13 30.93 3i3n s GLU 132 CO 0.03 0.08 1.09 -1.54 0.02 0.00 0.00 175.26 174.94 3i3n s SER 133 N 0.83 2.74 0.09 -0.19 1.04 -1.14 -4.80 113.70 112.28 3i3n s SER 133 Ca 0.15 1.25 0.10 0.00 0.48 0.00 0.00 55.95 57.94 3i3n s SER 133 Cb -0.14 -1.92 0.49 0.00 0.10 0.00 0.00 66.02 64.56 3i3n s SER 133 CO 0.06 -3.07 1.32 -2.11 0.98 0.00 0.00 173.24 170.42 3i3n n ARG 134 N -4.14 0.05 -0.93 4.02 1.85 -1.26 0.03 116.66 116.28 3i3n n ARG 134 Ca 0.05 0.46 -0.08 0.00 -1.00 0.00 0.00 57.85 57.29 3i3n n ARG 134 Cb 0.57 -1.63 0.18 0.00 -1.05 0.00 0.00 32.46 30.53 3i3n n ARG 134 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3i3n n SER 135 N -1.74 2.82 -3.28 2.89 3.41 -1.26 -5.00 113.62 111.47 3i3n n SER 135 Ca 0.01 -3.79 -0.08 0.00 -0.26 0.00 0.00 58.87 54.75 3i3n n SER 135 Cb 0.07 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 3i3n n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3n n GLY 136 N -1.10 -1.25 3.37 5.00 0.00 0.10 -4.73 105.19 106.59 3i3n n GLY 136 Ca 0.37 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.57 3i3n n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3n s ARG 137 N -3.65 3.16 -0.08 1.61 0.52 -1.25 -0.96 118.95 118.30 3i3n s ARG 137 Ca 0.03 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 3i3n s ARG 137 Cb -0.01 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 3i3n s ARG 137 CO 0.79 0.29 -0.21 0.08 0.02 0.00 0.00 175.30 176.27 3i3n s VAL 138 N 0.13 2.35 0.00 3.52 1.01 -0.63 -2.88 120.40 123.90 3i3n s VAL 138 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3i3n s VAL 138 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3i3n s VAL 138 CO 0.05 0.56 0.00 -0.62 0.00 0.00 0.00 175.10 175.09 3i3n n GLU 139 N 3.11 3.26 -4.51 2.72 1.02 -1.26 -0.87 120.64 124.10 3i3n n GLU 139 Ca -0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.66 3i3n n GLU 139 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.82 3i3n n GLU 139 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i3n s ARG 141 N 3.05 1.99 0.81 3.49 0.52 -1.26 -4.95 118.95 122.61 3i3n s ARG 141 Ca 0.00 -1.04 -0.15 0.00 -0.52 0.00 0.00 55.73 54.02 3i3n s ARG 141 Cb 0.00 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 3i3n s ARG 141 CO 0.00 0.52 0.50 1.17 0.02 0.00 0.00 175.30 177.51 3i3n n LYS 142 N 1.26 0.08 0.00 3.54 4.81 -1.26 -5.02 118.16 121.57 3i3n n LYS 142 Ca -0.16 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3i3n n LYS 142 Cb 0.52 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.72 3i3n n LYS 142 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3i3n n TRP 143 N -2.86 0.00 0.23 5.64 7.02 -1.26 -5.06 117.44 121.15 3i3n n TRP 143 Ca 0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.44 3i3n n TRP 143 Cb 0.51 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.33 3i3n n TRP 143 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3i3n h SER 144 N 0.00 -0.53 -3.37 -0.99 4.64 -1.99 -3.42 113.55 107.90 3i3n h SER 144 Ca 0.00 -0.08 -0.56 0.00 -0.47 0.00 0.00 61.79 60.68 3i3n h SER 144 Cb 0.00 0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 3i3n h SER 144 CO 0.00 -0.13 0.08 -0.94 -0.87 0.00 0.00 176.83 174.97 3i3n s SER 145 N -4.85 7.03 0.16 4.97 1.04 -1.26 -4.99 113.70 115.80 3i3n s SER 145 Ca -0.13 1.23 -0.25 0.00 0.48 0.00 0.00 55.95 57.28 3i3n s SER 145 Cb 0.02 -2.41 0.03 0.00 0.10 0.00 0.00 66.02 63.75 3i3n s SER 145 CO 0.44 -0.06 1.59 -0.33 0.98 0.00 0.00 173.24 175.86 3i3n h GLU 146 N 6.39 -0.29 -0.30 4.02 4.39 -2.01 -0.09 114.58 126.69 3i3n h GLU 146 Ca -0.42 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.38 3i3n h GLU 146 Cb 1.20 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3i3n h GLU 146 CO 0.74 -0.19 0.37 -1.35 -1.16 0.00 0.00 179.01 177.42 3i3n h PRO 147 N -0.30 0.00 0.00 2.33 0.11 -1.97 -3.44 132.00 128.73 3i3n h PRO 147 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3i3n h PRO 147 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3i3n h PRO 147 CO -0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.65 3i3n n GLY 148 N -1.43 -0.27 3.49 -0.55 0.00 -0.05 -4.83 105.19 101.56 3i3n n GLY 148 Ca 0.05 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 3i3n n GLY 148 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i3n n PRO 149 N -0.22 -0.65 -2.41 1.61 -0.02 -1.26 -4.93 135.00 127.13 3i3n n PRO 149 Ca 0.00 -0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 60.92 3i3n n PRO 149 Cb 0.00 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3i3n n PRO 149 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i3n s GLU 150 N -4.00 4.45 0.29 -0.52 2.56 -1.26 -4.90 118.70 115.32 3i3n s GLU 150 Ca 0.61 1.80 -0.02 0.00 0.00 0.00 0.00 54.97 57.36 3i3n s GLU 150 Cb -0.21 -3.32 0.62 0.00 2.00 0.00 0.00 34.13 33.22 3i3n s GLU 150 CO 0.64 -0.21 1.59 -1.35 -0.56 0.00 0.00 175.26 175.37 3i3n h PRO 151 N 6.40 0.04 0.00 4.30 0.11 -1.98 0.59 132.00 141.46 3i3n h PRO 151 Ca -0.42 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3i3n h PRO 151 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i3n h PRO 151 CO 0.80 0.03 -0.16 -0.44 -0.21 0.00 0.00 178.00 178.02 3i3n h ASP 152 N 0.05 0.00 0.50 -2.05 3.32 -1.99 -1.68 116.42 114.57 3i3n h ASP 152 Ca 0.53 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.28 3i3n h ASP 152 Cb 1.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.58 3i3n h ASP 152 CO -0.85 0.16 -1.39 0.74 -1.72 0.00 0.00 179.24 176.18 3i3n h THR 153 N 0.00 1.34 0.12 0.35 2.02 -0.23 -2.50 112.91 114.01 3i3n h THR 153 Ca -0.00 -2.91 -0.01 0.00 0.77 0.00 0.00 66.41 64.27 3i3n h THR 153 Cb 0.41 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 3i3n h THR 153 CO 0.02 0.86 -0.06 0.58 0.37 0.00 0.00 175.52 177.29 3i3n h VAL 154 N 0.09 1.02 -0.99 3.16 2.07 -1.04 -2.04 116.25 118.50 3i3n h VAL 154 Ca -0.19 -0.58 0.20 0.00 0.82 0.00 0.00 66.70 66.94 3i3n h VAL 154 Cb 2.03 1.38 -0.11 0.00 -1.52 0.00 0.00 31.29 33.07 3i3n h VAL 154 CO 0.20 0.14 0.59 -0.08 0.02 0.00 0.00 177.57 178.45 3i3n h GLU 155 N -0.44 0.69 -0.25 1.57 4.57 -1.39 0.17 114.58 119.51 3i3n h GLU 155 Ca -0.02 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 3i3n h GLU 155 Cb 0.36 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3i3n h GLU 155 CO 0.03 0.46 -0.29 0.00 -1.18 0.00 0.00 179.01 178.03 3i3n h ALA 156 N 1.66 1.05 0.06 2.92 0.00 -1.15 0.05 119.26 123.85 3i3n h ALA 156 Ca 0.59 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 3i3n h ALA 156 Cb 0.95 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i3n h ALA 156 CO -0.40 0.58 -1.07 0.28 0.00 0.00 0.00 179.25 178.63 3i3n h VAL 157 N 0.43 1.44 -0.25 0.00 2.07 -0.31 -1.49 116.25 118.13 3i3n h VAL 157 Ca 0.06 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.85 3i3n h VAL 157 Cb 0.72 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3i3n h VAL 157 CO 0.06 0.80 -0.00 0.40 0.02 0.00 0.00 177.57 178.84 3i3n h ILE 158 N 0.16 1.26 -0.23 4.57 2.04 -0.60 -2.55 117.51 122.16 3i3n h ILE 158 Ca -0.11 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3i3n h ILE 158 Cb 1.74 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 3i3n h ILE 158 CO 0.18 0.29 0.09 -0.08 0.00 0.00 0.00 178.15 178.63 3i3n h GLU 159 N 0.22 0.32 -1.96 2.37 4.81 -0.97 -2.92 114.58 116.45 3i3n h GLU 159 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3i3n h GLU 159 Cb 0.42 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3i3n h GLU 159 CO 0.01 0.28 0.00 0.98 -0.73 0.00 0.00 179.01 179.55 3i3n n TYR 160 N -4.43 0.00 0.00 0.92 9.36 -0.57 -0.79 117.16 121.65 3i3n n TYR 160 Ca 0.00 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3i3n n TYR 160 Cb 0.13 -0.17 0.00 0.00 -0.63 0.00 0.00 39.34 38.67 3i3n n TYR 160 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3i3n n TYR 162 N 1.38 0.00 -0.09 2.98 4.02 -1.10 0.88 117.16 125.22 3i3n n TYR 162 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i3n n TYR 162 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 3i3n n TYR 162 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3i3n n THR 163 N 0.00 0.00 -1.17 -0.72 -2.24 0.03 -4.69 114.28 105.48 3i3n n THR 163 Ca 0.00 -0.37 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 3i3n n THR 163 Cb 0.00 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 3i3n n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3n n GLY 164 N 0.49 0.73 3.20 3.38 0.00 0.25 -4.99 105.19 108.26 3i3n n GLY 164 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3i3n n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3n s ARG 165 N -2.09 1.76 -0.14 1.61 0.52 -1.26 -5.06 118.95 114.29 3i3n s ARG 165 Ca 0.00 -0.71 -0.28 0.00 -0.52 0.00 0.00 55.73 54.22 3i3n s ARG 165 Cb 0.00 -1.63 0.07 0.00 0.52 0.00 0.00 34.95 33.91 3i3n s ARG 165 CO 0.00 0.39 0.68 -1.50 0.02 0.00 0.00 175.30 174.89 3i3n s ILE 166 N -0.33 0.00 -0.30 1.52 2.07 -1.26 -4.18 121.20 118.72 3i3n s ILE 166 Ca 0.04 -0.01 -0.09 0.00 -1.41 0.00 0.00 60.65 59.18 3i3n s ILE 166 Cb -0.09 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.51 3i3n s ILE 166 CO 0.00 -0.01 0.14 -0.60 -1.91 0.00 0.00 174.94 172.57 3i3n s ARG 167 N -0.49 3.39 -0.14 3.50 3.52 -1.26 -5.08 118.95 122.39 3i3n s ARG 167 Ca -0.06 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 3i3n s ARG 167 Cb -0.02 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3i3n s ARG 167 CO 0.06 -0.38 0.03 0.08 -0.81 0.00 0.00 175.30 174.29 3i3n s VAL 168 N 1.62 4.57 0.33 7.11 1.01 -1.26 -5.06 120.40 128.72 3i3n s VAL 168 Ca 0.05 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3i3n s VAL 168 Cb -0.17 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 3i3n s VAL 168 CO 0.06 0.53 -0.01 -0.94 0.00 0.00 0.00 175.10 174.74 3i3n s SER 169 N -0.17 3.00 0.48 3.32 1.04 -1.26 -4.97 113.70 115.14 3i3n s SER 169 Ca 0.06 -1.29 0.14 0.00 0.48 0.00 0.00 55.95 55.34 3i3n s SER 169 Cb -0.12 -0.22 1.12 0.00 0.10 0.00 0.00 66.02 66.90 3i3n s SER 169 CO 0.02 -0.44 2.08 0.71 0.98 0.00 0.00 173.24 176.59 3i3n h THR 170 N 2.08 1.06 -0.01 2.02 1.35 -2.00 0.19 112.91 117.61 3i3n h THR 170 Ca -0.41 -0.26 -0.15 0.00 -0.55 0.00 0.00 66.41 65.04 3i3n h THR 170 Cb 1.24 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 3i3n h THR 170 CO 0.72 0.08 -0.69 1.23 -0.25 0.00 0.00 175.52 176.61 3i3n h GLY 171 N 0.26 0.04 0.00 5.82 0.00 -2.03 -3.35 103.07 103.80 3i3n h GLY 171 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3i3n h GLY 171 CO 0.01 0.05 -0.50 -1.14 0.00 0.00 0.00 176.54 174.96 3i3n n SER 172 N -3.74 0.64 -0.34 0.19 3.41 -0.95 -4.73 113.62 108.11 3i3n n SER 172 Ca -0.01 -0.64 0.21 0.00 -0.26 0.00 0.00 58.87 58.17 3i3n n SER 172 Cb 0.67 1.04 0.43 0.00 -0.26 0.00 0.00 64.21 66.10 3i3n n SER 172 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3i3n h VAL 173 N 0.00 0.42 -0.33 -3.33 3.04 -0.78 -0.96 116.25 114.31 3i3n h VAL 173 Ca 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 66.70 65.48 3i3n h VAL 173 Cb 0.22 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.42 3i3n h VAL 173 CO 0.00 0.08 -0.02 1.12 -1.01 0.00 0.00 177.57 177.74 3i3n h HIS 174 N 0.45 0.66 -0.40 3.17 2.07 -1.85 -0.67 115.15 118.58 3i3n h HIS 174 Ca 0.69 -0.12 -0.12 0.00 -2.85 0.00 0.00 60.37 57.97 3i3n h HIS 174 Cb 1.46 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 3i3n h HIS 174 CO -0.01 0.73 -0.24 0.93 -3.07 0.00 0.00 177.93 176.27 3i3n h GLU 175 N 0.40 0.80 -0.80 5.12 5.08 -1.56 -1.66 114.58 121.97 3i3n h GLU 175 Ca 0.09 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3i3n h GLU 175 Cb 0.48 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3i3n h GLU 175 CO 0.02 0.96 0.42 0.28 -1.00 0.00 0.00 179.01 179.69 3i3n h VAL 176 N 0.70 1.24 -0.52 3.13 2.07 -1.17 -0.39 116.25 121.31 3i3n h VAL 176 Ca 0.09 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3i3n h VAL 176 Cb 0.77 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3i3n h VAL 176 CO 0.06 0.28 0.29 0.25 0.02 0.00 0.00 177.57 178.47 3i3n h LEU 177 N 1.12 0.65 -0.30 2.57 5.85 -0.77 0.20 115.31 124.63 3i3n h LEU 177 Ca 0.28 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3i3n h LEU 177 Cb 0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3i3n h LEU 177 CO -0.04 0.55 0.09 -0.08 -0.34 0.00 0.00 178.44 178.63 3i3n h GLU 178 N 0.70 0.47 -0.68 1.25 4.81 -0.81 0.16 114.58 120.47 3i3n h GLU 178 Ca 0.18 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 3i3n h GLU 178 Cb 0.05 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3i3n h GLU 178 CO -0.03 0.52 0.12 -0.07 -0.73 0.00 0.00 179.01 178.82 3i3n h LEU 179 N 0.33 1.07 -0.68 1.64 3.38 -0.88 -0.03 115.31 120.14 3i3n h LEU 179 Ca 0.10 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3i3n h LEU 179 Cb 0.25 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3i3n h LEU 179 CO -0.00 1.05 0.23 0.00 0.09 0.00 0.00 178.44 179.81 3i3n h ALA 180 N 1.07 0.89 -0.40 1.53 0.00 -0.40 -1.18 119.26 120.77 3i3n h ALA 180 Ca 0.21 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3i3n h ALA 180 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i3n h ALA 180 CO 0.01 0.55 -0.21 0.22 0.00 0.00 0.00 179.25 179.82 3i3n h ASP 181 N 0.99 0.88 -0.23 0.00 3.58 -0.68 -0.08 116.42 120.87 3i3n h ASP 181 Ca 0.22 -0.41 -0.05 0.00 0.42 0.00 0.00 57.03 57.21 3i3n h ASP 181 Cb 0.27 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3i3n h ASP 181 CO -0.01 1.10 0.01 -0.09 -2.88 0.00 0.00 179.24 177.36 3i3n h ARG 182 N 0.66 0.52 -0.44 0.28 9.65 -0.76 -2.93 114.38 121.36 3i3n h ARG 182 Ca 0.09 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3i3n h ARG 182 Cb 0.78 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 3i3n h ARG 182 CO 0.06 0.54 0.00 1.19 2.80 0.00 0.00 179.97 184.56 3i3n n PHE 183 N -4.29 0.58 -2.64 2.20 3.72 -0.47 -4.95 117.46 111.62 3i3n n PHE 183 Ca 0.01 -0.29 -0.18 0.00 -0.05 0.00 0.00 57.45 56.94 3i3n n PHE 183 Cb 0.24 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 3i3n n PHE 183 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3i3n n LEU 184 N 1.24 -2.18 -4.46 4.37 4.77 -0.78 -4.53 117.00 115.42 3i3n n LEU 184 Ca 0.19 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 3i3n n LEU 184 Cb 0.53 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 3i3n n LEU 184 CO 0.15 0.02 1.69 0.18 -1.33 0.00 0.00 177.39 178.10 3i3n n LEU 185 N -3.01 5.22 -0.02 2.23 4.77 -0.11 -4.85 117.00 121.23 3i3n n LEU 185 Ca -0.15 -4.25 -0.11 0.00 -0.03 0.00 0.00 56.01 51.48 3i3n n LEU 185 Cb 0.63 -1.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.01 3i3n n LEU 185 CO 0.33 0.54 0.63 0.40 -1.33 0.00 0.00 177.39 177.96 3i3n h ILE 186 N 4.94 0.24 -0.64 -0.08 2.04 -1.91 0.67 117.51 122.77 3i3n h ILE 186 Ca 0.38 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.28 3i3n h ILE 186 Cb 0.85 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3i3n h ILE 186 CO 1.37 0.00 0.37 0.03 0.00 0.00 0.00 178.15 179.92 3i3n h ARG 187 N -0.40 0.69 -0.36 2.37 3.08 -1.98 0.28 114.38 118.06 3i3n h ARG 187 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3i3n h ARG 187 Cb 0.57 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3i3n h ARG 187 CO -0.40 0.46 0.12 1.25 -1.07 0.00 0.00 179.97 180.33 3i3n h LEU 188 N 0.71 0.53 -0.48 3.04 5.85 -1.88 -0.60 115.31 122.48 3i3n h LEU 188 Ca 0.27 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3i3n h LEU 188 Cb 0.10 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3i3n h LEU 188 CO -0.14 0.59 0.30 0.50 -0.34 0.00 0.00 178.44 179.35 3i3n h LYS 189 N 0.44 0.58 -0.79 1.25 3.64 -0.17 -0.98 116.57 120.55 3i3n h LYS 189 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3i3n h LYS 189 Cb 0.25 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3i3n h LYS 189 CO -0.00 0.39 0.50 0.93 -2.27 0.00 0.00 179.45 178.99 3i3n h GLU 190 N 0.60 1.06 -0.03 1.90 5.08 -0.16 -1.96 114.58 121.07 3i3n h GLU 190 Ca 0.19 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3i3n h GLU 190 Cb -0.01 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 3i3n h GLU 190 CO -0.07 0.72 0.01 0.35 -1.00 0.00 0.00 179.01 179.02 3i3n h PHE 191 N 1.08 0.04 -0.55 4.33 3.57 -0.14 -1.63 116.94 123.64 3i3n h PHE 191 Ca 0.29 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.94 3i3n h PHE 191 Cb -0.08 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3i3n h PHE 191 CO 0.00 0.14 0.40 0.00 -2.23 0.00 0.00 178.31 176.62 3i3n h GLY 193 N 0.00 0.83 1.25 0.00 0.00 -0.56 -1.65 103.07 102.93 3i3n h GLY 193 Ca 0.26 -0.70 -0.27 0.00 0.00 0.00 0.00 47.33 46.62 3i3n h GLY 193 CO -0.00 0.64 -1.08 0.83 0.00 0.00 0.00 176.54 176.92 3i3n h GLU 194 N 0.67 0.66 0.01 4.80 4.39 -0.46 -2.01 114.58 122.65 3i3n h GLU 194 Ca 0.09 -0.75 0.03 0.00 0.34 0.00 0.00 59.36 59.07 3i3n h GLU 194 Cb 0.72 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 3i3n h GLU 194 CO 0.06 1.32 -0.21 0.35 -1.16 0.00 0.00 179.01 179.37 3i3n h PHE 195 N 0.36 -0.55 -0.67 4.33 3.57 -1.04 -1.66 116.94 121.27 3i3n h PHE 195 Ca -0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 3i3n h PHE 195 Cb 1.74 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 40.69 3i3n h PHE 195 CO 0.10 -0.29 0.17 -0.07 -2.23 0.00 0.00 178.31 175.99 3i3n h LEU 196 N -0.34 1.00 -1.48 0.59 3.38 -1.37 -2.72 115.31 114.37 3i3n h LEU 196 Ca 0.06 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.90 3i3n h LEU 196 Cb 0.41 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3i3n h LEU 196 CO -0.18 0.95 0.43 0.50 0.09 0.00 0.00 178.44 180.23 3i3n h LYS 197 N 1.01 0.61 0.00 1.13 3.64 -0.93 0.24 116.57 122.27 3i3n h LYS 197 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3i3n h LYS 197 Cb 0.34 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3i3n h LYS 197 CO -0.00 0.40 -0.41 0.87 -2.27 0.00 0.00 179.45 178.04 3i3n h LYS 198 N 0.63 0.00 -0.02 1.90 1.57 -1.08 -3.26 116.57 116.30 3i3n h LYS 198 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3i3n h LYS 198 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3i3n h LYS 198 CO -0.09 0.00 -0.31 1.63 -0.57 0.00 0.00 179.45 180.11 3i3n n LYS 199 N -2.79 1.51 -1.65 3.15 4.76 -0.58 -4.97 118.16 117.58 3i3n n LYS 199 Ca 0.03 -1.22 -0.50 0.00 -2.87 0.00 0.00 58.31 53.75 3i3n n LYS 199 Cb 0.52 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.18 3i3n n LYS 199 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i3n n LEU 200 N 0.32 2.46 -3.65 -0.35 0.00 -0.03 -4.96 117.00 110.78 3i3n n LEU 200 Ca 0.11 1.08 -0.14 0.00 0.00 0.00 0.00 56.01 57.06 3i3n n LEU 200 Cb 0.49 -1.28 -0.08 0.00 0.00 0.00 0.00 43.42 42.55 3i3n n LEU 200 CO 0.24 -0.58 0.30 -2.28 0.00 0.00 0.00 177.39 175.07 3i3n s HIS 201 N 1.54 -0.63 0.55 1.96 2.46 -1.26 -5.03 115.29 114.87 3i3n s HIS 201 Ca 0.86 1.47 0.44 0.00 0.47 0.00 0.00 55.06 58.30 3i3n s HIS 201 Cb -0.85 0.24 1.50 0.00 -0.13 0.00 0.00 32.58 33.35 3i3n s HIS 201 CO 0.47 -0.36 1.45 -0.11 -2.47 0.00 0.00 174.74 173.72 3i3n n LEU 202 N 2.42 0.00 -0.10 8.88 7.94 -1.26 0.87 117.00 135.75 3i3n n LEU 202 Ca -0.15 0.91 0.15 0.00 -1.11 0.00 0.00 56.01 55.81 3i3n n LEU 202 Cb 0.56 -0.43 0.80 0.00 0.53 0.00 0.00 43.42 44.88 3i3n n LEU 202 CO 0.10 -0.91 1.02 -0.24 -1.11 0.00 0.00 177.39 176.25 3i3n n SER 203 N -3.70 0.33 0.00 1.96 2.88 -1.26 -4.04 113.62 109.79 3i3n n SER 203 Ca 0.39 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 3i3n n SER 203 Cb 1.85 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 65.27 3i3n n SER 203 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i3n n ASN 204 N -0.83 0.00 -0.10 -3.46 0.23 0.25 -4.90 115.26 106.46 3i3n n ASN 204 Ca 0.21 -1.00 0.15 0.00 -0.53 0.00 0.00 54.58 53.40 3i3n n ASN 204 Cb 0.19 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.43 3i3n n ASN 204 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i3n h VAL 206 N 0.34 0.00 -0.96 0.00 2.07 -1.87 0.21 116.25 116.04 3i3n h VAL 206 Ca 0.30 -0.42 0.20 0.00 0.82 0.00 0.00 66.70 67.61 3i3n h VAL 206 Cb 0.73 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 3i3n h VAL 206 CO -0.08 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.12 3i3n h ALA 207 N -1.24 2.02 -0.02 1.67 0.00 -1.84 -0.23 119.26 119.63 3i3n h ALA 207 Ca -0.07 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3i3n h ALA 207 Cb 0.56 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i3n h ALA 207 CO 0.12 -0.34 -0.84 0.82 0.00 0.00 0.00 179.25 179.01 3i3n h ILE 208 N 0.54 1.33 -0.87 0.00 2.04 -0.81 -2.94 117.51 116.80 3i3n h ILE 208 Ca 0.52 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3i3n h ILE 208 Cb 1.10 2.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 3i3n h ILE 208 CO -0.26 0.65 0.55 -0.74 0.00 0.00 0.00 178.15 178.35 3i3n h HIS 209 N 0.21 1.13 -0.39 1.37 2.76 0.46 0.29 115.15 120.97 3i3n h HIS 209 Ca -0.10 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.14 3i3n h HIS 209 Cb 1.51 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 30.04 3i3n h HIS 209 CO 0.12 0.73 0.07 1.03 -1.30 0.00 0.00 177.93 178.58 3i3n h SER 210 N 1.20 -0.01 -0.02 3.26 0.87 -1.05 -1.36 113.55 116.43 3i3n h SER 210 Ca 0.32 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 3i3n h SER 210 Cb -0.09 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3i3n h SER 210 CO -0.06 0.03 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.19 3i3n h LEU 211 N 0.20 0.05 -1.82 2.23 3.38 -1.22 -3.04 115.31 115.09 3i3n h LEU 211 Ca 0.19 -0.44 0.18 0.00 0.09 0.00 0.00 57.88 57.90 3i3n h LEU 211 Cb 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3i3n h LEU 211 CO -0.26 0.47 0.50 0.00 0.09 0.00 0.00 178.44 179.25 3i3n h ALA 212 N 0.58 2.42 0.00 1.53 0.00 -0.76 0.37 119.26 123.41 3i3n h ALA 212 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3n h ALA 212 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i3n h ALA 212 CO 0.00 -0.63 0.00 1.58 0.00 0.00 0.00 179.25 180.21 3i3n n HIS 213 N -4.40 0.00 0.00 0.00 -0.00 -0.53 0.68 115.22 110.97 3i3n n HIS 213 Ca 0.14 -0.33 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 3i3n n HIS 213 Cb 0.67 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 3i3n n HIS 213 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3i3n n TYR 215 N 0.36 0.00 -3.56 1.57 4.01 0.12 -4.70 117.16 114.96 3i3n n TYR 215 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 3i3n n TYR 215 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 3i3n n TYR 215 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3i3n n THR 216 N 0.00 -4.39 -3.18 -0.72 -1.04 -0.90 -4.91 114.28 99.13 3i3n n THR 216 Ca 0.00 0.08 -0.29 0.00 -2.04 0.00 0.00 64.05 61.81 3i3n n THR 216 Cb 0.00 -3.69 -0.05 0.00 -1.82 0.00 0.00 70.33 64.77 3i3n n THR 216 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i3n n LEU 217 N -1.14 4.40 -0.03 -4.42 4.77 0.21 -4.99 117.00 115.81 3i3n n LEU 217 Ca -0.16 -5.52 -0.01 0.00 -0.03 0.00 0.00 56.01 50.30 3i3n n LEU 217 Cb 0.67 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3i3n n LEU 217 CO 0.58 2.14 0.19 -1.20 -1.33 0.00 0.00 177.39 177.77 3i3n n SER 218 N 0.44 -0.06 -0.11 -1.43 7.64 -1.26 -0.59 113.62 118.23 3i3n n SER 218 Ca 0.31 0.43 -0.11 0.00 1.01 0.00 0.00 58.87 60.51 3i3n n SER 218 Cb 0.39 -0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.34 3i3n n SER 218 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3i3n h GLN 219 N 0.00 -0.30 -0.87 1.43 7.50 -1.97 -0.36 115.11 120.54 3i3n h GLN 219 Ca 0.01 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.32 3i3n h GLN 219 Cb 0.02 0.07 -0.09 0.00 0.05 0.00 0.00 27.48 27.53 3i3n h GLN 219 CO -0.06 -0.20 0.47 1.25 -1.50 0.00 0.00 178.83 178.79 3i3n h LEU 220 N -0.31 0.60 0.01 1.46 5.85 -1.19 -2.47 115.31 119.26 3i3n h LEU 220 Ca 0.06 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3i3n h LEU 220 Cb 0.47 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3i3n h LEU 220 CO -0.47 0.27 -0.24 0.00 -0.34 0.00 0.00 178.44 177.65 3i3n h ALA 221 N 1.55 -0.33 -0.00 1.25 0.00 0.76 -1.01 119.26 121.48 3i3n h ALA 221 Ca 0.47 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.40 3i3n h ALA 221 Cb 0.63 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3i3n h ALA 221 CO -0.34 -0.74 -0.20 -0.07 0.00 0.00 0.00 179.25 177.90 3i3n h LEU 222 N -0.38 -0.57 -0.36 0.00 3.38 -0.91 0.18 115.31 116.65 3i3n h LEU 222 Ca 0.06 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3i3n h LEU 222 Cb 0.46 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3i3n h LEU 222 CO -0.21 -0.26 -0.04 0.50 0.09 0.00 0.00 178.44 178.52 3i3n h LYS 223 N -0.31 0.06 -0.12 1.13 3.64 -1.22 0.16 116.57 119.90 3i3n h LYS 223 Ca 0.06 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3i3n h LYS 223 Cb 0.39 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3i3n h LYS 223 CO -0.18 0.04 -0.26 0.00 -2.27 0.00 0.00 179.45 176.77 3i3n h ALA 224 N 1.34 1.34 -0.43 5.00 0.00 -0.89 -2.79 119.26 122.83 3i3n h ALA 224 Ca 0.18 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3i3n h ALA 224 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i3n h ALA 224 CO -0.33 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.16 3i3n h ALA 225 N 1.54 0.61 0.00 0.00 0.00 0.11 -1.82 119.26 119.70 3i3n h ALA 225 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i3n h ALA 225 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i3n h ALA 225 CO 0.04 0.58 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 3i3n n ASP 226 N -4.18 0.44 0.00 0.00 9.92 0.39 -1.04 116.55 122.07 3i3n n ASP 226 Ca -0.01 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.90 3i3n n ASP 226 Cb 0.45 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 3i3n n ASP 226 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3i3n n ILE 228 N 0.79 0.00 0.41 0.53 5.41 -0.68 -1.66 119.36 124.16 3i3n n ILE 228 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 3i3n n ILE 228 Cb 0.08 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.92 3i3n n ILE 228 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3i3n h ARG 229 N 0.00 -1.00 -0.51 0.38 3.08 -1.36 0.18 114.38 115.15 3i3n h ARG 229 Ca 0.00 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.27 3i3n h ARG 229 Cb 0.00 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3i3n h ARG 229 CO 0.00 -0.65 0.38 0.00 -1.07 0.00 0.00 179.97 178.63 3i3n h ARG 230 N -1.11 0.00 -0.17 0.04 3.08 -1.59 -1.78 114.38 112.85 3i3n h ARG 230 Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3i3n h ARG 230 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 3i3n h ARG 230 CO 0.17 0.00 -0.06 0.09 -1.07 0.00 0.00 179.97 179.10 3i3n n ASN 231 N -4.32 2.92 -0.21 7.04 3.02 -1.12 -4.78 115.26 117.81 3i3n n ASN 231 Ca 0.09 -3.27 0.02 0.00 -0.03 0.00 0.00 54.58 51.39 3i3n n ASN 231 Cb 0.60 -0.52 0.12 0.00 -0.61 0.00 0.00 39.78 39.36 3i3n n ASN 231 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3i3n h PHE 232 N 0.99 0.17 0.00 3.10 3.57 0.25 0.28 116.94 125.30 3i3n h PHE 232 Ca 0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3i3n h PHE 232 Cb 1.30 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3i3n h PHE 232 CO 0.46 -0.07 0.02 1.12 -2.23 0.00 0.00 178.31 177.62 3i3n h HIS 233 N 0.23 0.00 0.00 0.41 2.07 -1.83 -2.98 115.15 113.05 3i3n h HIS 233 Ca 0.33 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.63 3i3n h HIS 233 Cb 0.52 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.47 3i3n h HIS 233 CO -0.27 0.00 -1.38 1.63 -3.07 0.00 0.00 177.93 174.84 3i3n n LYS 234 N -2.45 0.55 0.18 5.12 5.02 0.91 -4.28 118.16 123.22 3i3n n LYS 234 Ca -0.02 0.48 0.09 0.00 -2.02 0.00 0.00 58.31 56.84 3i3n n LYS 234 Cb 0.07 -1.67 0.47 0.00 -0.02 0.00 0.00 35.03 33.88 3i3n n LYS 234 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3i3n h VAL 235 N -1.00 0.00 0.00 -0.18 -1.51 -1.24 -0.59 116.25 111.73 3i3n h VAL 235 Ca -0.34 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.09 3i3n h VAL 235 Cb 1.21 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 3i3n h VAL 235 CO -0.21 0.00 -0.18 0.40 -1.23 0.00 0.00 177.57 176.35 3i3n h ILE 236 N 0.00 0.33 0.00 7.19 2.04 -1.72 -3.25 117.51 122.10 3i3n h ILE 236 Ca 0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3i3n h ILE 236 Cb 0.47 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3i3n h ILE 236 CO 0.00 0.18 -1.01 0.00 0.00 0.00 0.00 178.15 177.32 3i3n n GLN 237 N -3.16 0.61 -3.14 2.37 3.00 -0.23 -4.87 117.38 111.95 3i3n n GLN 237 Ca 0.03 0.12 -0.33 0.00 -0.01 0.00 0.00 57.00 56.81 3i3n n GLN 237 Cb 0.57 -1.83 -0.06 0.00 0.00 0.00 0.00 30.24 28.93 3i3n n GLN 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3i3n s ASP 238 N -5.36 6.83 0.00 1.08 1.01 -1.23 -4.99 116.67 114.02 3i3n s ASP 238 Ca -0.01 1.29 0.30 0.00 0.71 0.00 0.00 52.55 54.84 3i3n s ASP 238 Cb 0.10 -2.38 1.42 0.00 1.01 0.00 0.00 42.92 43.07 3i3n s ASP 238 CO 0.79 -0.14 2.01 -0.62 0.21 0.00 0.00 175.17 177.41 3i3n n GLU 239 N -0.10 0.28 0.18 8.23 1.02 -1.26 -3.89 120.64 125.09 3i3n n GLU 239 Ca 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 3i3n n GLU 239 Cb 0.53 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 3i3n n GLU 239 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3i3n h GLU 240 N 0.00 -0.38 -1.07 3.49 4.57 -1.94 -2.96 114.58 116.29 3i3n h GLU 240 Ca 0.00 0.03 0.32 0.00 -1.18 0.00 0.00 59.36 58.53 3i3n h GLU 240 Cb 0.36 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 28.90 3i3n h GLU 240 CO 0.00 -0.22 0.64 0.35 -1.18 0.00 0.00 179.01 178.60 3i3n h PHE 241 N -0.45 0.82 0.00 0.92 3.57 -1.75 -0.97 116.94 119.07 3i3n h PHE 241 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3i3n h PHE 241 Cb 0.34 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3i3n h PHE 241 CO -0.04 -0.11 0.00 0.66 -2.23 0.00 0.00 178.31 176.58 3i3n n TYR 242 N -4.89 0.00 0.54 0.41 4.01 -1.12 -2.76 117.16 113.36 3i3n n TYR 242 Ca 0.31 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.11 3i3n n TYR 242 Cb 1.02 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 40.05 3i3n n TYR 242 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3i3n n THR 243 N -0.42 0.00 -0.92 -0.72 -2.24 -0.37 -4.94 114.28 104.68 3i3n n THR 243 Ca 0.00 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 3i3n n THR 243 Cb 0.04 1.18 0.14 0.00 -2.10 0.00 0.00 70.33 69.58 3i3n n THR 243 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i3n s LEU 244 N -1.59 2.93 0.49 3.22 1.43 -1.11 -5.02 118.68 119.03 3i3n s LEU 244 Ca 0.11 2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 55.19 3i3n s LEU 244 Cb 0.10 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.72 3i3n s LEU 244 CO 0.27 -2.71 0.86 -2.16 0.23 0.00 0.00 176.35 172.84 3i3n s PRO 245 N -4.71 3.67 0.20 1.29 0.04 -1.26 -4.90 135.00 129.32 3i3n s PRO 245 Ca 0.65 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 3i3n s PRO 245 Cb -0.21 -2.29 0.21 0.00 0.04 0.00 0.00 34.50 32.25 3i3n s PRO 245 CO 0.57 -0.25 1.62 0.35 0.04 0.00 0.00 177.00 179.33 3i3n h PHE 246 N 0.47 -0.48 -0.16 0.56 3.57 -1.99 -1.77 116.94 117.14 3i3n h PHE 246 Ca -0.46 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.14 3i3n h PHE 246 Cb 1.19 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 3i3n h PHE 246 CO 0.61 -0.30 0.17 1.12 -2.23 0.00 0.00 178.31 177.68 3i3n h HIS 247 N -0.05 0.00 0.07 0.41 2.07 -1.99 0.17 115.15 115.83 3i3n h HIS 247 Ca 0.29 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.64 3i3n h HIS 247 Cb 0.49 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.47 3i3n h HIS 247 CO -0.54 0.00 -0.82 -0.07 -3.07 0.00 0.00 177.93 173.43 3i3n h LEU 248 N 0.00 0.22 -0.90 6.12 3.38 -1.72 -2.35 115.31 120.06 3i3n h LEU 248 Ca 0.08 -0.86 0.14 0.00 0.09 0.00 0.00 57.88 57.33 3i3n h LEU 248 Cb 0.41 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 3i3n h LEU 248 CO -0.00 1.36 0.50 0.40 0.09 0.00 0.00 178.44 180.79 3i3n h ILE 249 N -0.65 0.78 0.12 1.22 1.08 -0.94 0.07 117.51 119.19 3i3n h ILE 249 Ca -0.18 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 3i3n h ILE 249 Cb 1.42 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 3i3n h ILE 249 CO 0.02 0.13 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.46 3i3n h ARG 250 N 0.73 -0.15 -0.97 2.37 2.43 -0.77 -2.24 114.38 115.78 3i3n h ARG 250 Ca 0.48 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.80 3i3n h ARG 250 Cb 0.63 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 3i3n h ARG 250 CO -0.33 0.06 0.61 -0.44 -1.51 0.00 0.00 179.97 178.36 3i3n h ASP 251 N -0.34 0.83 -0.48 -3.80 3.32 -0.65 -2.02 116.42 113.28 3i3n h ASP 251 Ca -0.02 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3i3n h ASP 251 Cb 0.28 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3i3n h ASP 251 CO 0.03 0.41 -0.07 -0.50 -1.72 0.00 0.00 179.24 177.39 3i3n h TRP 252 N 0.87 0.99 0.00 4.55 -0.00 -0.85 -2.29 115.95 119.23 3i3n h TRP 252 Ca 0.50 -0.20 0.00 0.00 -0.00 0.00 0.00 58.89 59.19 3i3n h TRP 252 Cb 0.62 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.53 3i3n h TRP 252 CO -0.00 0.96 0.00 -0.07 -0.00 0.00 0.00 178.44 179.32 3i3n h LEU 253 N 0.74 0.00 0.00 -4.49 3.38 -0.83 -1.30 115.31 112.81 3i3n h LEU 253 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3i3n h LEU 253 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3i3n h LEU 253 CO 0.04 0.00 -0.33 -1.20 0.09 0.00 0.00 178.44 177.04 3i3n n SER 254 N -3.08 0.48 -4.66 -0.43 7.64 -0.81 -4.84 113.62 107.92 3i3n n SER 254 Ca 0.01 0.17 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 3i3n n SER 254 Cb 0.30 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 3i3n n SER 254 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i3n s ASP 255 N -3.59 6.91 0.16 6.43 2.15 -0.49 -4.92 116.67 123.32 3i3n s ASP 255 Ca 0.10 1.78 0.06 0.00 0.43 0.00 0.00 52.55 54.93 3i3n s ASP 255 Cb 0.16 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 3i3n s ASP 255 CO 0.65 -0.77 1.36 -0.07 -0.17 0.00 0.00 175.17 176.17 3i3n h LEU 256 N 9.69 0.07 -0.65 -1.34 3.38 -1.88 -3.33 115.31 121.24 3i3n h LEU 256 Ca -0.29 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3i3n h LEU 256 Cb 1.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3i3n h LEU 256 CO 0.96 0.94 -0.38 -0.33 0.09 0.00 0.00 178.44 179.72 3i3n h GLU 257 N 0.02 0.00 -6.17 1.13 4.39 -1.96 -3.47 114.58 108.53 3i3n h GLU 257 Ca -0.02 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.04 3i3n h GLU 257 Cb 1.58 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 30.35 3i3n h GLU 257 CO 0.12 0.38 -0.37 0.44 -1.16 0.00 0.00 179.01 178.43 3i3n n ILE 258 N -3.39 1.86 -3.62 3.13 -5.35 -1.25 -4.90 119.36 105.85 3i3n n ILE 258 Ca 0.01 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.59 3i3n n ILE 258 Cb 0.57 -0.34 -0.11 0.00 -1.74 0.00 0.00 39.64 38.02 3i3n n ILE 258 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i3n s THR 259 N -1.12 4.43 0.13 7.28 -4.23 -1.04 -5.05 115.64 116.04 3i3n s THR 259 Ca 0.62 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 3i3n s THR 259 Cb -0.81 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 3i3n s THR 259 CO 0.58 -0.25 -0.08 0.68 -0.54 0.00 0.00 174.62 175.00 3i3n s VAL 260 N 1.52 0.95 0.06 2.29 -7.23 -1.26 -3.36 120.40 113.38 3i3n s VAL 260 Ca 0.01 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 3i3n s VAL 260 Cb -0.20 -1.80 -0.21 0.00 0.56 0.00 0.00 36.38 34.74 3i3n s VAL 260 CO 0.06 -0.78 1.21 0.44 -0.31 0.00 0.00 175.10 175.72 3i3n h ASP 261 N 2.85 0.82 -5.07 4.85 3.32 -1.99 -3.47 116.42 117.72 3i3n h ASP 261 Ca -0.36 -0.70 -0.11 0.00 0.02 0.00 0.00 57.03 55.88 3i3n h ASP 261 Cb 1.18 -0.25 -0.17 0.00 0.22 0.00 0.00 39.33 40.31 3i3n h ASP 261 CO 0.64 1.40 -0.37 -0.94 -1.72 0.00 0.00 179.24 178.25 3i3n s SER 262 N -7.06 0.01 0.45 6.45 1.04 -1.26 -5.00 113.70 108.33 3i3n s SER 262 Ca -0.11 -0.35 0.23 0.00 0.48 0.00 0.00 55.95 56.20 3i3n s SER 262 Cb 0.07 0.30 1.03 0.00 0.10 0.00 0.00 66.02 67.51 3i3n s SER 262 CO 0.89 -0.57 1.89 -0.33 0.98 0.00 0.00 173.24 176.10 3i3n h GLU 263 N 3.42 0.00 -0.91 4.02 4.39 -1.92 -2.61 114.58 120.96 3i3n h GLU 263 Ca -0.32 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.56 3i3n h GLU 263 Cb 1.19 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.77 3i3n h GLU 263 CO 0.48 0.24 0.59 0.93 -1.16 0.00 0.00 179.01 180.09 3i3n h GLU 264 N 0.00 0.52 -0.08 2.33 3.07 -1.94 -0.95 114.58 117.52 3i3n h GLU 264 Ca -0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3i3n h GLU 264 Cb 0.63 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3i3n h GLU 264 CO 0.03 0.34 0.05 0.28 -1.40 0.00 0.00 179.01 178.32 3i3n h VAL 265 N 0.53 1.05 -1.05 3.13 2.07 -1.89 -2.49 116.25 117.61 3i3n h VAL 265 Ca 0.48 -0.12 0.27 0.00 0.82 0.00 0.00 66.70 68.15 3i3n h VAL 265 Cb 1.01 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 3i3n h VAL 265 CO -0.21 0.04 0.68 -0.07 0.02 0.00 0.00 177.57 178.03 3i3n h LEU 266 N 0.08 0.42 -0.33 2.57 3.38 -1.31 0.31 115.31 120.42 3i3n h LEU 266 Ca 0.03 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 3i3n h LEU 266 Cb 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3i3n h LEU 266 CO -0.01 0.08 -0.40 0.15 0.09 0.00 0.00 178.44 178.35 3i3n h PHE 267 N 0.37 1.05 -0.07 1.13 3.57 -1.39 -1.54 116.94 120.05 3i3n h PHE 267 Ca 0.59 -0.33 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 3i3n h PHE 267 Cb 1.55 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 3i3n h PHE 267 CO -0.00 1.14 -0.28 0.93 -2.23 0.00 0.00 178.31 177.86 3i3n h GLU 268 N 0.65 0.12 -0.04 1.11 5.08 -0.28 -2.43 114.58 118.79 3i3n h GLU 268 Ca 0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3i3n h GLU 268 Cb 0.99 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 3i3n h GLU 268 CO 0.10 0.40 -0.03 1.15 -1.00 0.00 0.00 179.01 179.63 3i3n h THR 269 N 0.11 1.35 -0.71 1.13 2.02 -0.54 -2.63 112.91 113.64 3i3n h THR 269 Ca 0.02 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.16 3i3n h THR 269 Cb 0.56 1.98 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 3i3n h THR 269 CO 0.04 0.29 0.43 0.58 0.37 0.00 0.00 175.52 177.24 3i3n h VAL 270 N -0.32 1.05 -0.49 3.16 2.07 -1.13 -0.17 116.25 120.42 3i3n h VAL 270 Ca 0.01 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.31 3i3n h VAL 270 Cb 0.48 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3i3n h VAL 270 CO 0.01 0.15 0.18 -0.07 0.02 0.00 0.00 177.57 177.86 3i3n h LEU 271 N 0.83 0.19 -0.66 2.57 3.38 -1.40 -1.50 115.31 118.72 3i3n h LEU 271 Ca 0.30 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 3i3n h LEU 271 Cb 0.09 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3i3n h LEU 271 CO -0.14 0.14 0.17 0.11 0.09 0.00 0.00 178.44 178.82 3i3n h LYS 272 N 0.36 1.05 -0.67 1.13 1.57 -0.98 0.17 116.57 119.20 3i3n h LYS 272 Ca 0.23 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3i3n h LYS 272 Cb 0.23 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3i3n h LYS 272 CO -0.23 0.93 0.44 2.35 -0.57 0.00 0.00 179.45 182.37 3i3n h TRP 273 N 0.97 0.84 -0.13 -1.35 7.01 -0.51 -1.39 115.95 121.39 3i3n h TRP 273 Ca 0.21 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.16 3i3n h TRP 273 Cb 0.35 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 3i3n h TRP 273 CO 0.03 0.53 -0.19 0.28 -2.79 0.00 0.00 178.44 176.30 3i3n h VAL 274 N 0.90 1.37 0.00 2.65 2.07 -1.05 -3.11 116.25 119.07 3i3n h VAL 274 Ca 0.24 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3i3n h VAL 274 Cb -0.10 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3i3n h VAL 274 CO -0.05 0.41 0.00 0.00 0.02 0.00 0.00 177.57 177.95 3i3n n GLN 275 N -4.52 0.06 -0.03 1.57 6.02 0.57 -1.93 117.38 119.14 3i3n n GLN 275 Ca -0.07 0.45 -0.07 0.00 -0.01 0.00 0.00 57.00 57.31 3i3n n GLN 275 Cb 0.40 -1.67 0.12 0.00 1.02 0.00 0.00 30.24 30.11 3i3n n GLN 275 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3i3n h ARG 276 N 0.00 0.61 -1.48 -1.09 9.65 -1.18 -3.38 114.38 117.51 3i3n h ARG 276 Ca 0.00 -0.28 -0.36 0.00 -1.10 0.00 0.00 59.98 58.24 3i3n h ARG 276 Cb 0.13 -0.01 -0.26 0.00 -1.39 0.00 0.00 29.97 28.43 3i3n h ARG 276 CO 0.00 0.86 -0.74 -1.71 2.80 0.00 0.00 179.97 181.18 3i3n n ASN 277 N -4.07 -1.91 -0.31 -3.80 2.85 -0.81 -5.03 115.26 102.18 3i3n n ASN 277 Ca -0.01 -2.75 0.02 0.00 -0.11 0.00 0.00 54.58 51.73 3i3n n ASN 277 Cb 0.47 0.66 0.09 0.00 1.24 0.00 0.00 39.78 42.25 3i3n n ASN 277 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i3n h ALA 278 N 4.99 0.44 -1.77 5.20 0.00 -1.67 -2.19 119.26 124.25 3i3n h ALA 278 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3i3n h ALA 278 Cb 1.00 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3i3n h ALA 278 CO 0.23 -0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.40 3i3n n GLU 279 N -5.54 0.00 0.00 0.00 -0.58 -1.26 -1.53 120.64 111.73 3i3n n GLU 279 Ca 0.12 0.67 0.15 0.00 -0.42 0.00 0.00 57.16 57.68 3i3n n GLU 279 Cb 0.43 -1.20 0.78 0.00 -0.57 0.00 0.00 31.44 30.87 3i3n n GLU 279 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i3n n GLU 280 N -1.78 1.08 -0.10 3.49 1.02 -1.19 -4.24 120.64 118.92 3i3n n GLU 280 Ca 0.00 -0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 56.74 3i3n n GLU 280 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 3i3n n GLU 280 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i3n n ARG 281 N -0.73 0.65 0.33 3.49 1.74 -0.83 -4.52 116.66 116.79 3i3n n ARG 281 Ca 0.21 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.48 3i3n n ARG 281 Cb 0.20 -1.40 0.50 0.00 -1.02 0.00 0.00 32.46 30.74 3i3n n ARG 281 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3i3n h GLU 282 N 0.00 0.00 -0.00 5.56 5.08 -1.45 0.47 114.58 124.24 3i3n h GLU 282 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3i3n h GLU 282 Cb 1.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.98 3i3n h GLU 282 CO -0.05 0.00 -0.02 2.89 -1.00 0.00 0.00 179.01 180.82 3i3n n ARG 283 N -2.74 0.59 -0.01 2.33 1.85 -1.26 -3.48 116.66 113.95 3i3n n ARG 283 Ca -0.01 -0.05 0.07 0.00 -1.00 0.00 0.00 57.85 56.85 3i3n n ARG 283 Cb 0.63 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.44 3i3n n ARG 283 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3i3n n TYR 284 N -1.15 0.00 -0.37 2.89 0.53 0.17 -4.71 117.16 114.50 3i3n n TYR 284 Ca 0.16 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.98 3i3n n TYR 284 Cb 0.23 -0.27 -0.03 0.00 -1.03 0.00 0.00 39.34 38.23 3i3n n TYR 284 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3i3n n PHE 285 N -1.89 -0.21 -0.23 -0.72 7.35 -1.23 -1.48 117.46 119.05 3i3n n PHE 285 Ca -0.02 1.15 0.00 0.00 -0.76 0.00 0.00 57.45 57.83 3i3n n PHE 285 Cb 0.34 -0.70 0.12 0.00 0.35 0.00 0.00 39.48 39.59 3i3n n PHE 285 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3i3n h GLU 286 N 0.00 0.55 -0.01 -4.13 4.81 -1.84 0.58 114.58 114.54 3i3n h GLU 286 Ca 0.23 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3i3n h GLU 286 Cb 0.46 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3i3n h GLU 286 CO -0.89 0.36 -0.41 1.49 -0.73 0.00 0.00 179.01 178.83 3i3n h GLU 287 N 0.56 0.03 -0.04 1.92 4.81 -1.58 -1.96 114.58 118.32 3i3n h GLU 287 Ca 0.33 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3i3n h GLU 287 Cb 0.34 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3i3n h GLU 287 CO -0.26 0.43 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.12 3i3n h LEU 288 N 0.02 0.30 -0.93 1.64 3.38 -0.50 -3.24 115.31 115.99 3i3n h LEU 288 Ca -0.00 -0.67 0.12 0.00 0.09 0.00 0.00 57.88 57.41 3i3n h LEU 288 Cb 0.73 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 3i3n h LEU 288 CO 0.05 0.93 0.56 0.15 0.09 0.00 0.00 178.44 180.22 3i3n h PHE 289 N -0.30 1.00 0.00 1.13 3.57 0.30 0.89 116.94 123.53 3i3n h PHE 289 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i3n h PHE 289 Cb 0.93 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3i3n h PHE 289 CO 0.14 0.38 0.00 1.63 -2.23 0.00 0.00 178.31 178.23 3i3n n LYS 290 N -4.70 0.12 0.14 1.11 5.02 -0.75 -1.97 118.16 117.13 3i3n n LYS 290 Ca 0.17 0.50 0.10 0.00 -2.02 0.00 0.00 58.31 57.07 3i3n n LYS 290 Cb 0.35 -1.81 0.05 0.00 -0.02 0.00 0.00 35.03 33.59 3i3n n LYS 290 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3i3n h LEU 291 N 0.00 0.00-10.05 -0.35 3.38 -0.88 -3.47 115.31 103.94 3i3n h LEU 291 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3i3n h LEU 291 Cb 0.15 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.97 3i3n h LEU 291 CO 0.00 0.07 0.45 -0.76 0.09 0.00 0.00 178.44 178.29 3i3n s LEU 292 N -5.70 3.85 -0.81 1.67 1.43 -0.83 -4.89 118.68 113.40 3i3n s LEU 292 Ca 0.02 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 3i3n s LEU 292 Cb 0.08 -4.45 0.21 0.00 0.03 0.00 0.00 46.19 42.07 3i3n s LEU 292 CO 0.75 -1.11 0.73 -0.13 0.23 0.00 0.00 176.35 176.82 3i3n s ARG 293 N -3.05 3.43 0.40 1.70 0.52 -1.26 -4.88 118.95 115.81 3i3n s ARG 293 Ca 0.69 -2.56 0.09 0.00 -0.52 0.00 0.00 55.73 53.43 3i3n s ARG 293 Cb -0.26 -4.28 0.83 0.00 0.52 0.00 0.00 34.95 31.76 3i3n s ARG 293 CO 0.30 -1.26 1.96 -0.07 0.02 0.00 0.00 175.30 176.25 3i3n h LEU 294 N 7.48 0.27 0.00 2.53 3.38 -1.93 -1.55 115.31 125.49 3i3n h LEU 294 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i3n h LEU 294 Cb 1.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3i3n h LEU 294 CO 0.76 0.35 0.00 -1.54 0.09 0.00 0.00 178.44 178.11 3i3n n SER 295 N -4.34 0.00 -3.32 -0.43 3.41 -1.26 -4.77 113.62 102.91 3i3n n SER 295 Ca -0.00 0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.65 3i3n n SER 295 Cb 0.21 -0.43 0.01 0.00 -0.26 0.00 0.00 64.21 63.74 3i3n n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3n n GLN 296 N -1.43 4.49 -4.27 4.33 1.13 -0.59 -4.99 117.38 116.05 3i3n n GLN 296 Ca 0.01 -4.54 -0.34 0.00 -1.94 0.00 0.00 57.00 50.18 3i3n n GLN 296 Cb 0.03 -2.38 -0.11 0.00 0.11 0.00 0.00 30.24 27.90 3i3n n GLN 296 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i3n s LYS 298 N -4.07 3.65 0.46 -1.09 1.02 -1.26 -4.67 119.74 113.78 3i3n s LYS 298 Ca 0.43 -0.44 0.26 0.00 0.02 0.00 0.00 55.97 56.24 3i3n s LYS 298 Cb 0.26 -2.99 1.30 0.00 -0.52 0.00 0.00 37.83 35.88 3i3n s LYS 298 CO -0.18 0.34 1.80 -1.35 -0.92 0.00 0.00 175.35 175.04 3i3n h PRO 299 N 6.41 0.21 0.45 -1.68 0.11 -1.99 0.47 132.00 135.98 3i3n h PRO 299 Ca -0.36 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 3i3n h PRO 299 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i3n h PRO 299 CO 0.64 0.14 -0.27 1.15 -0.21 0.00 0.00 178.00 179.45 3i3n h THR 300 N 0.21 0.44 -0.53 -1.15 2.02 -2.03 -1.72 112.91 110.15 3i3n h THR 300 Ca 0.56 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.72 3i3n h THR 300 Cb 1.76 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 3i3n h THR 300 CO -0.16 0.00 0.29 0.22 0.37 0.00 0.00 175.52 176.24 3i3n h TYR 301 N -0.68 0.74 -0.43 3.16 3.20 -1.39 0.16 116.97 121.72 3i3n h TYR 301 Ca -0.05 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.88 3i3n h TYR 301 Cb 0.56 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 3i3n h TYR 301 CO -0.09 0.55 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.86 3i3n h LEU 302 N 0.71 -0.27 0.00 2.82 3.38 -0.91 0.20 115.31 121.24 3i3n h LEU 302 Ca 0.19 0.11 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 3i3n h LEU 302 Cb 0.06 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3i3n h LEU 302 CO -0.03 -0.09 -1.09 0.71 0.09 0.00 0.00 178.44 178.03 3i3n h THR 303 N 0.06 0.52 0.00 0.22 1.35 -1.17 -0.50 112.91 113.39 3i3n h THR 303 Ca 0.21 -1.90 -0.24 0.00 -0.55 0.00 0.00 66.41 63.93 3i3n h THR 303 Cb 0.32 2.07 -0.04 0.00 -1.73 0.00 0.00 68.15 68.76 3i3n h THR 303 CO -0.39 0.30 -1.65 -1.14 -0.25 0.00 0.00 175.52 172.38 3i3n n ARG 304 N -2.96 0.63 0.00 4.72 0.63 0.53 -4.42 116.66 115.80 3i3n n ARG 304 Ca -0.05 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 3i3n n ARG 304 Cb 0.77 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.91 3i3n n ARG 304 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i3n n HIS 305 N -2.93 0.00 0.15 -0.14 8.25 0.61 -4.69 115.22 116.46 3i3n n HIS 305 Ca -0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.25 3i3n n HIS 305 Cb 0.96 0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.05 3i3n n HIS 305 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3i3n h VAL 306 N 0.00 0.00 -0.92 1.59 2.07 -1.18 -3.21 116.25 114.61 3i3n h VAL 306 Ca 0.00 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.48 3i3n h VAL 306 Cb 0.79 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3i3n h VAL 306 CO 0.00 0.00 0.59 0.50 0.02 0.00 0.00 177.57 178.68 3i3n h LYS 307 N -0.53 0.91 0.00 1.57 3.64 -1.33 -2.22 116.57 118.61 3i3n h LYS 307 Ca -0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3i3n h LYS 307 Cb 0.31 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3i3n h LYS 307 CO 0.07 0.60 -0.06 -1.35 -2.27 0.00 0.00 179.45 176.44 3i3n h PRO 308 N 0.94 0.00 -6.65 1.90 0.11 -1.77 -3.35 132.00 123.17 3i3n h PRO 308 Ca 0.43 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 66.01 3i3n h PRO 308 Cb 0.38 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.54 3i3n h PRO 308 CO -0.19 0.06 0.88 -2.00 -0.21 0.00 0.00 178.00 176.55 3i3n s GLU 309 N -3.78 4.20 0.16 1.05 2.56 -0.84 -4.84 118.70 117.21 3i3n s GLU 309 Ca -0.00 2.41 -0.28 0.00 0.00 0.00 0.00 54.97 57.10 3i3n s GLU 309 Cb 0.10 -3.13 -0.01 0.00 2.00 0.00 0.00 34.13 33.10 3i3n s GLU 309 CO 0.55 -0.61 1.56 0.00 -0.56 0.00 0.00 175.26 176.20 3i3n h ARG 310 N 6.40 -0.22 -0.64 4.30 3.08 -1.88 0.00 114.38 125.42 3i3n h ARG 310 Ca -0.43 0.01 0.18 0.00 0.07 0.00 0.00 59.98 59.82 3i3n h ARG 310 Cb 1.21 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3i3n h ARG 310 CO 0.89 -0.15 0.48 -0.07 -1.07 0.00 0.00 179.97 180.06 3i3n h LEU 311 N -0.23 0.00 0.09 3.04 3.38 -1.95 -1.29 115.31 118.36 3i3n h LEU 311 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3i3n h LEU 311 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3i3n h LEU 311 CO -0.72 0.00 -0.66 0.58 0.09 0.00 0.00 178.44 177.73 3i3n h VAL 312 N 0.00 1.52 -0.57 1.22 2.07 -1.33 -3.31 116.25 115.84 3i3n h VAL 312 Ca 0.30 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.36 3i3n h VAL 312 Cb 1.27 3.17 -0.03 0.00 -1.52 0.00 0.00 31.29 34.17 3i3n h VAL 312 CO -0.00 0.67 0.31 0.00 0.02 0.00 0.00 177.57 178.56 3i3n h ALA 313 N 0.02 0.73 0.00 1.67 0.00 -0.60 -2.86 119.26 118.21 3i3n h ALA 313 Ca -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3i3n h ALA 313 Cb 1.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i3n h ALA 313 CO 0.08 0.25 -0.03 -0.91 0.00 0.00 0.00 179.25 178.64 3i3n h ASN 314 N 0.77 0.00 -3.63 0.00 2.35 -1.43 -3.40 115.58 110.23 3i3n h ASN 314 Ca 0.20 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.27 3i3n h ASN 314 Cb 0.05 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 38.18 3i3n h ASN 314 CO -0.03 0.03 -0.57 0.21 -1.65 0.00 0.00 177.43 175.42 3i3n s ASN 315 N -5.69 5.48 0.28 5.81 3.84 -1.08 -4.97 114.94 118.61 3i3n s ASN 315 Ca -0.00 -0.64 -0.01 0.00 0.21 0.00 0.00 52.86 52.41 3i3n s ASN 315 Cb 0.10 -1.98 0.40 0.00 -0.55 0.00 0.00 41.25 39.22 3i3n s ASN 315 CO 0.53 -0.22 1.82 1.05 -2.79 0.00 0.00 177.10 177.50 3i3n h GLU 316 N 8.33 0.82 -0.05 0.43 4.11 -1.80 -1.56 114.58 124.86 3i3n h GLU 316 Ca -0.31 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 3i3n h GLU 316 Cb 1.13 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3i3n h GLU 316 CO 0.62 0.75 -0.05 0.28 0.07 0.00 0.00 179.01 180.68 3i3n h VAL 317 N 0.79 1.07 0.02 -1.06 2.07 -1.93 -0.12 116.25 117.09 3i3n h VAL 317 Ca 0.17 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3i3n h VAL 317 Cb 0.30 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3i3n h VAL 317 CO -0.00 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.67 3i3n h VAL 319 N -0.87 1.07 0.25 0.00 2.07 -1.15 -0.16 116.25 117.47 3i3n h VAL 319 Ca -0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3i3n h VAL 319 Cb 0.75 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3i3n h VAL 319 CO 0.01 0.19 -0.24 0.50 0.02 0.00 0.00 177.57 178.05 3i3n h LYS 320 N 1.05 -0.50 -0.96 1.57 1.63 -1.08 -1.24 116.57 117.05 3i3n h LYS 320 Ca 0.39 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.37 3i3n h LYS 320 Cb 0.19 0.11 -0.09 0.00 -0.60 0.00 0.00 32.23 31.84 3i3n h LYS 320 CO -0.15 -0.33 0.57 -0.07 -3.45 0.00 0.00 179.45 176.03 3i3n h LEU 321 N -0.51 0.79 -0.03 5.20 3.38 -0.75 -0.02 115.31 123.36 3i3n h LEU 321 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i3n h LEU 321 Cb 0.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3i3n h LEU 321 CO -0.04 0.37 0.01 0.58 0.09 0.00 0.00 178.44 179.44 3i3n h VAL 322 N 0.84 1.17 -0.44 1.22 2.07 -0.70 -1.97 116.25 118.45 3i3n h VAL 322 Ca 0.51 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3i3n h VAL 322 Cb 0.63 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 3i3n h VAL 322 CO -0.32 0.14 0.13 0.00 0.02 0.00 0.00 177.57 177.54 3i3n h ALA 323 N 0.80 0.51 -0.57 1.67 0.00 -0.27 0.82 119.26 122.22 3i3n h ALA 323 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i3n h ALA 323 Cb 0.22 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3i3n h ALA 323 CO -0.00 -0.27 0.30 -0.44 0.00 0.00 0.00 179.25 178.84 3i3n h ASP 324 N 0.28 0.71 0.05 0.00 3.32 -0.98 0.61 116.42 120.42 3i3n h ASP 324 Ca 0.21 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3i3n h ASP 324 Cb 0.23 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3i3n h ASP 324 CO -0.24 0.58 -0.03 0.00 -1.72 0.00 0.00 179.24 177.84 3i3n h ALA 325 N 1.53 -0.07 -0.93 3.45 0.00 -0.47 0.09 119.26 122.85 3i3n h ALA 325 Ca 0.20 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3i3n h ALA 325 Cb 0.05 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3i3n h ALA 325 CO -0.03 -0.39 0.60 0.28 0.00 0.00 0.00 179.25 179.71 3i3n h VAL 326 N -0.38 1.00 -0.53 0.00 2.07 -0.46 -0.07 116.25 117.88 3i3n h VAL 326 Ca -0.01 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3i3n h VAL 326 Cb 0.34 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3i3n h VAL 326 CO 0.01 0.18 -0.05 -0.08 0.02 0.00 0.00 177.57 177.65 3i3n h GLU 327 N 0.98 0.94 -0.73 1.57 4.81 -0.62 -2.70 114.58 118.83 3i3n h GLU 327 Ca 0.42 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3i3n h GLU 327 Cb 0.34 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3i3n h GLU 327 CO -0.18 0.96 0.26 -0.09 -0.73 0.00 0.00 179.01 179.23 3i3n h ARG 328 N 0.86 1.12 -0.29 1.92 9.65 0.78 -1.60 114.38 126.82 3i3n h ARG 328 Ca 0.15 -0.22 0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3i3n h ARG 328 Cb 0.57 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 3i3n h ARG 328 CO 0.03 0.93 0.10 0.45 2.80 0.00 0.00 179.97 184.29 3i3n h HIS 329 N 1.07 0.18 -0.42 2.20 3.86 -0.90 0.26 115.15 121.40 3i3n h HIS 329 Ca 0.24 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.39 3i3n h HIS 329 Cb 0.26 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3i3n h HIS 329 CO 0.02 0.08 -0.04 0.00 0.86 0.00 0.00 177.93 178.85 3i3n h ALA 330 N 1.18 1.13 -0.37 2.45 0.00 -1.26 -1.30 119.26 121.09 3i3n h ALA 330 Ca 0.13 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3i3n h ALA 330 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i3n h ALA 330 CO -0.13 0.55 -0.35 -0.07 0.00 0.00 0.00 179.25 179.26 3i3n h LEU 331 N 0.66 0.89 0.00 0.00 3.38 -0.76 -1.72 115.31 117.76 3i3n h LEU 331 Ca 0.13 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3i3n h LEU 331 Cb 0.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i3n h LEU 331 CO 0.02 1.14 0.00 -2.11 0.09 0.00 0.00 178.44 177.59 3i3n n ARG 332 N -4.06 0.59 0.00 1.13 1.85 0.88 -2.94 116.66 114.11 3i3n n ARG 332 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 3i3n n ARG 332 Cb 0.51 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 3i3n n ARG 332 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i3n n ALA 333 N -1.15 1.47 0.00 2.89 0.00 -0.52 -5.05 120.51 118.16 3i3n n ALA 333 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3i3n n ALA 333 Cb 0.15 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3i3n n ALA 333 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59