#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3i n ILE 28 N 0.00 2.45 -2.65 2.02 5.41 -0.26 -4.88 119.36 121.44 3a3i n ILE 28 Ca 0.00 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.83 3a3i n ILE 28 Cb 0.00 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 37.20 3a3i n ILE 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3a3i s ASN 29 N -0.41 6.63 0.16 4.38 3.84 -1.26 -4.76 114.94 123.52 3a3i s ASN 29 Ca 0.59 -1.87 -0.07 0.00 0.21 0.00 0.00 52.86 51.73 3a3i s ASN 29 Cb -0.50 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 37.70 3a3i s ASN 29 CO 0.59 -1.31 1.47 0.58 -2.79 0.00 0.00 177.10 175.64 3a3i h VAL 30 N 6.23 1.30 -0.47 -5.21 2.07 -1.94 -3.01 116.25 115.23 3a3i h VAL 30 Ca 0.25 -1.76 0.08 0.00 0.82 0.00 0.00 66.70 66.09 3a3i h VAL 30 Cb 0.97 1.70 -0.10 0.00 -1.52 0.00 0.00 31.29 32.35 3a3i h VAL 30 CO 1.37 0.56 -0.37 -1.28 0.02 0.00 0.00 177.57 177.87 3a3i h SER 31 N 0.53 -1.24 -0.89 0.57 0.87 -1.97 0.60 113.55 112.03 3a3i h SER 31 Ca 0.01 0.21 0.12 0.00 -1.23 0.00 0.00 61.79 60.91 3a3i h SER 31 Cb 1.11 0.58 -0.08 0.00 -0.44 0.00 0.00 62.40 63.57 3a3i h SER 31 CO 0.11 -0.33 0.51 0.44 -0.53 0.00 0.00 176.83 177.03 3a3i h ASP 32 N -0.25 0.71 -0.93 6.23 3.32 -1.94 -2.35 116.42 121.21 3a3i h ASP 32 Ca 0.18 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3a3i h ASP 32 Cb 0.56 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3a3i h ASP 32 CO -0.60 0.36 0.55 -0.07 -1.72 0.00 0.00 179.24 177.76 3a3i h LEU 33 N 0.80 1.13 -0.82 1.55 3.38 -0.84 -2.73 115.31 117.76 3a3i h LEU 33 Ca 0.45 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3a3i h LEU 33 Cb 0.50 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3a3i h LEU 33 CO -0.29 0.88 0.00 0.35 0.09 0.00 0.00 178.44 179.47 3a3i n THR 34 N -4.35 0.94 -0.30 0.22 -2.24 -0.47 -1.60 114.28 106.48 3a3i n THR 34 Ca 0.10 0.38 0.33 0.00 -2.27 0.00 0.00 64.05 62.59 3a3i n THR 34 Cb 0.07 -1.32 0.73 0.00 -2.10 0.00 0.00 70.33 67.71 3a3i n THR 34 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3a3i h GLN 35 N 0.00 0.02 -0.03 -0.78 1.08 -1.48 0.84 115.11 114.76 3a3i h GLN 35 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3a3i h GLN 35 Cb 0.24 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3a3i h GLN 35 CO 0.00 0.01 0.00 0.36 -0.95 0.00 0.00 178.83 178.25 3a3i n LYS 36 N -4.22 1.70 -2.30 1.46 0.00 -0.62 -4.90 118.16 109.28 3a3i n LYS 36 Ca 0.24 -1.02 -0.28 0.00 -0.00 0.00 0.00 58.31 57.25 3a3i n LYS 36 Cb 1.18 -1.47 0.02 0.00 -0.00 0.00 0.00 35.03 34.76 3a3i n LYS 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3a3i s LEU 37 N -1.96 3.32 0.60 -5.58 1.43 0.29 -4.69 118.68 112.10 3a3i s LEU 37 Ca 0.37 0.98 -0.19 0.00 -1.03 0.00 0.00 54.13 54.26 3a3i s LEU 37 Cb 0.21 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3a3i s LEU 37 CO 0.33 -0.90 1.23 -2.84 0.23 0.00 0.00 176.35 174.40 3a3i s PRO 38 N -5.00 2.87 0.35 1.29 0.02 -1.26 -4.92 135.00 128.35 3a3i s PRO 38 Ca 0.53 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 63.17 3a3i s PRO 38 Cb -0.11 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 3a3i s PRO 38 CO 0.48 -1.30 1.26 -1.91 -0.33 0.00 0.00 177.00 175.20 3a3i n GLU 39 N -1.65 2.04 0.00 5.54 2.13 -1.26 -2.01 120.64 125.43 3a3i n GLU 39 Ca 0.14 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3a3i n GLU 39 Cb 0.49 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.91 3a3i n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a3i n GLY 40 N 0.81 2.91 3.86 8.31 0.00 -1.26 -4.77 105.19 115.05 3a3i n GLY 40 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3a3i n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a3i s SER 41 N -1.39 4.53 -0.02 1.61 1.04 -0.85 -4.83 113.70 113.79 3a3i s SER 41 Ca 0.00 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.43 3a3i s SER 41 Cb 0.00 -1.60 0.01 0.00 0.10 0.00 0.00 66.02 64.53 3a3i s SER 41 CO 0.00 -1.91 -0.06 0.21 0.98 0.00 0.00 173.24 172.47 3a3i s ASN 42 N -4.32 0.85 0.01 7.02 2.47 -0.24 -5.00 114.94 115.73 3a3i s ASN 42 Ca 0.61 -0.12 0.06 0.00 0.42 0.00 0.00 52.86 53.82 3a3i s ASN 42 Cb -0.12 -0.25 -0.03 0.00 -1.45 0.00 0.00 41.25 39.40 3a3i s ASN 42 CO 0.51 0.02 -0.16 0.00 -3.72 0.00 0.00 177.10 173.76 3a3i s ALA 43 N 0.31 2.66 -0.15 1.71 0.00 -1.26 -0.79 121.76 124.24 3a3i s ALA 43 Ca -0.04 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3a3i s ALA 43 Cb -0.08 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.21 3a3i s ALA 43 CO -0.00 0.57 -0.17 0.20 0.00 0.00 0.00 175.76 176.37 3a3i s GLY 44 N -1.21 1.22 -0.05 0.00 0.00 0.14 -4.57 107.32 102.85 3a3i s GLY 44 Ca 0.14 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 3a3i s GLY 44 CO 0.04 0.37 0.02 0.14 0.00 0.00 0.00 173.10 173.67 3a3i s VAL 45 N 1.31 0.14 0.01 1.40 1.01 0.98 -0.44 120.40 124.79 3a3i s VAL 45 Ca 0.02 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3a3i s VAL 45 Cb -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3a3i s VAL 45 CO -0.09 0.19 -0.03 -0.51 0.00 0.00 0.00 175.10 174.65 3a3i s ILE 46 N 1.70 0.21 -0.06 2.22 2.07 -0.70 -0.29 121.20 126.35 3a3i s ILE 46 Ca -0.00 -0.38 -0.06 0.00 -1.41 0.00 0.00 60.65 58.80 3a3i s ILE 46 Cb -0.13 -0.24 0.02 0.00 0.13 0.00 0.00 42.46 42.25 3a3i s ILE 46 CO -0.03 -0.11 0.17 0.00 -1.91 0.00 0.00 174.94 173.05 3a3i s ALA 47 N -0.50 -0.41 -0.05 1.50 0.00 -0.60 -0.70 121.76 121.00 3a3i s ALA 47 Ca -0.04 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3a3i s ALA 47 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3a3i s ALA 47 CO -0.00 -0.09 -0.13 0.21 0.00 0.00 0.00 175.76 175.75 3a3i s LYS 48 N 0.19 1.53 -0.54 0.00 2.20 0.24 -0.62 119.74 122.74 3a3i s LYS 48 Ca -0.01 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 54.87 3a3i s LYS 48 Cb -0.02 -1.32 0.03 0.00 -1.51 0.00 0.00 37.83 35.01 3a3i s LYS 48 CO -0.00 0.14 1.10 1.21 -0.36 0.00 0.00 175.35 177.43 3a3i s ASN 49 N 0.29 6.47 0.17 1.43 3.84 0.12 -1.39 114.94 125.87 3a3i s ASN 49 Ca -0.07 0.08 -0.11 0.00 0.21 0.00 0.00 52.86 52.97 3a3i s ASN 49 Cb -0.12 -2.52 0.07 0.00 -0.55 0.00 0.00 41.25 38.13 3a3i s ASN 49 CO 0.02 -1.34 1.68 0.40 -2.79 0.00 0.00 177.10 175.07 3a3i h ILE 50 N 6.14 1.25 -0.56 -5.21 2.04 -1.22 -0.83 117.51 119.11 3a3i h ILE 50 Ca -0.25 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 64.70 3a3i h ILE 50 Cb 1.06 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3a3i h ILE 50 CO 1.14 0.35 0.36 0.78 0.00 0.00 0.00 178.15 180.77 3a3i h ASN 51 N 0.89 0.60 0.05 1.72 -0.26 -1.91 -2.59 115.58 114.07 3a3i h ASN 51 Ca 0.19 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3a3i h ASN 51 Cb 0.37 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 3a3i h ASN 51 CO 0.00 0.42 -0.05 0.00 -1.06 0.00 0.00 177.43 176.75 3a3i n GLN 52 N -4.73 1.45 -4.17 0.81 1.13 -1.15 -4.93 117.38 105.79 3a3i n GLN 52 Ca 0.04 -0.81 -0.31 0.00 -1.94 0.00 0.00 57.00 53.98 3a3i n GLN 52 Cb 0.05 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.87 3a3i n GLN 52 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3a3i n ASN 53 N -0.07 -0.69 -4.04 1.08 5.15 -0.40 -4.97 115.26 111.32 3a3i n ASN 53 Ca 0.18 -1.11 -0.25 0.00 -0.60 0.00 0.00 54.58 52.80 3a3i n ASN 53 Cb 0.34 -2.44 -0.16 0.00 -0.53 0.00 0.00 39.78 36.99 3a3i n ASN 53 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3a3i s GLN 54 N -6.94 1.72 -0.04 1.20 2.00 -0.73 -4.97 119.66 111.91 3a3i s GLN 54 Ca 0.23 -0.45 -0.30 0.00 -2.00 0.00 0.00 55.36 52.84 3a3i s GLN 54 Cb -0.13 -1.43 -0.05 0.00 0.80 0.00 0.00 33.01 32.21 3a3i s GLN 54 CO 0.94 0.06 1.38 0.42 -0.50 0.00 0.00 175.29 177.60 3a3i s ILE 55 N 0.55 3.85 -0.40 -2.34 -1.09 -1.26 0.16 121.20 120.67 3a3i s ILE 55 Ca -0.13 1.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.50 3a3i s ILE 55 Cb -0.15 -3.76 0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3a3i s ILE 55 CO 0.04 -0.03 0.65 2.30 -1.23 0.00 0.00 174.94 176.67 3a3i n ILE 56 N 4.84 0.10 -3.68 2.92 -5.35 0.20 -4.90 119.36 113.49 3a3i n ILE 56 Ca 0.13 -0.55 -0.11 0.00 -0.27 0.00 0.00 62.75 61.96 3a3i n ILE 56 Cb 0.44 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 39.26 3a3i n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a3i s ALA 57 N -0.35 -1.39 -0.29 -1.28 0.00 -1.17 -1.10 121.76 116.19 3a3i s ALA 57 Ca 0.04 1.78 0.02 0.00 0.00 0.00 0.00 51.96 53.80 3a3i s ALA 57 Cb 0.03 -1.05 0.16 0.00 0.00 0.00 0.00 23.12 22.26 3a3i s ALA 57 CO 0.04 -0.29 0.42 0.34 0.00 0.00 0.00 175.76 176.27 3a3i s ASP 58 N 1.05 0.21 -0.12 0.00 -1.08 -1.25 -1.55 116.67 113.93 3a3i s ASP 58 Ca -0.06 -0.26 -0.04 0.00 -0.52 0.00 0.00 52.55 51.67 3a3i s ASP 58 Cb -0.06 1.19 0.05 0.00 -1.46 0.00 0.00 42.92 42.64 3a3i s ASP 58 CO -0.10 -0.34 0.11 -0.47 0.52 0.00 0.00 175.17 174.89 3a3i s TYR 59 N 2.57 0.03 -1.39 -5.34 5.04 0.61 -4.78 117.35 114.09 3a3i s TYR 59 Ca 0.10 0.07 -0.11 0.00 -2.44 0.00 0.00 57.07 54.69 3a3i s TYR 59 Cb -0.13 -0.52 0.09 0.00 0.35 0.00 0.00 41.96 41.75 3a3i s TYR 59 CO -0.28 -0.39 0.61 0.09 -1.34 0.00 0.00 175.55 174.23 3a3i n ASN 60 N 5.30 -3.84 0.27 4.32 3.02 -1.26 -0.02 115.26 123.05 3a3i n ASN 60 Ca -0.05 -0.54 0.15 0.00 -0.03 0.00 0.00 54.58 54.10 3a3i n ASN 60 Cb 0.49 -3.15 0.75 0.00 -0.61 0.00 0.00 39.78 37.26 3a3i n ASN 60 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a3i h GLY 61 N -1.21 0.00 -1.76 7.41 0.00 -1.86 -2.02 103.07 103.62 3a3i h GLY 61 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3a3i h GLY 61 CO 0.59 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.57 3a3i n SER 62 N -3.39 2.92 -4.70 0.19 7.64 -1.26 -1.63 113.62 113.38 3a3i n SER 62 Ca -0.01 -1.87 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 3a3i n SER 62 Cb 0.26 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3a3i n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3a3i s THR 63 N -1.44 4.74 0.24 0.44 2.01 -0.76 -4.81 115.64 116.05 3a3i s THR 63 Ca 0.28 1.98 -0.31 0.00 0.31 0.00 0.00 61.69 63.95 3a3i s THR 63 Cb 0.18 -4.27 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 3a3i s THR 63 CO 0.25 0.09 1.66 -0.36 -0.69 0.00 0.00 174.62 175.58 3a3i s PHE 64 N 1.43 2.86 0.28 4.92 0.08 -1.26 -4.09 117.98 122.20 3a3i s PHE 64 Ca 0.51 0.52 0.02 0.00 0.12 0.00 0.00 56.93 58.11 3a3i s PHE 64 Cb -0.21 -4.10 -0.03 0.00 -0.57 0.00 0.00 43.02 38.11 3a3i s PHE 64 CO 0.24 -3.99 0.26 -1.64 -0.10 0.00 0.00 175.22 170.00 3a3i s MET 65 N 0.55 1.57 -0.27 0.44 -1.94 -0.00 -4.78 119.30 114.87 3a3i s MET 65 Ca 0.70 -1.81 -0.26 0.00 -1.71 0.00 0.00 55.69 52.62 3a3i s MET 65 Cb -0.49 0.33 0.00 0.00 2.01 0.00 0.00 34.83 36.69 3a3i s MET 65 CO 0.38 -0.58 0.89 -0.51 -0.01 0.00 0.00 175.02 175.19 3a3i s LEU 66 N -3.26 4.06 0.18 -0.03 1.43 -1.26 -1.50 118.68 118.30 3a3i s LEU 66 Ca 0.38 0.99 0.25 0.00 -1.03 0.00 0.00 54.13 54.72 3a3i s LEU 66 Cb 0.03 -3.27 0.50 0.00 0.03 0.00 0.00 46.19 43.49 3a3i s LEU 66 CO 0.20 -0.62 1.50 1.55 0.23 0.00 0.00 176.35 179.21 3a3i h PRO 67 N 7.82 0.00 0.00 1.29 0.13 -1.87 -3.46 132.00 135.91 3a3i h PRO 67 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3a3i h PRO 67 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3a3i h PRO 67 CO 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 3a3i n ALA 68 N -1.84 0.00 1.28 -0.56 0.00 -1.25 -1.73 120.51 116.40 3a3i n ALA 68 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3a3i n ALA 68 Cb 0.45 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.53 3a3i n ALA 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a3i n SER 69 N -1.78 0.00 0.31 0.00 7.64 -1.25 -1.37 113.62 117.17 3a3i n SER 69 Ca 0.00 -0.45 0.18 0.00 1.01 0.00 0.00 58.87 59.61 3a3i n SER 69 Cb 0.00 -0.11 0.98 0.00 -1.01 0.00 0.00 64.21 64.07 3a3i n SER 69 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3a3i h THR 70 N 0.00 0.25 -0.58 0.44 1.35 -1.34 -1.79 112.91 111.24 3a3i h THR 70 Ca 0.00 -0.18 0.17 0.00 -0.55 0.00 0.00 66.41 65.85 3a3i h THR 70 Cb 0.08 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 3a3i h THR 70 CO 0.00 0.03 0.53 -0.61 -0.25 0.00 0.00 175.52 175.22 3a3i h GLN 71 N 0.00 0.00 0.00 4.72 5.75 -1.35 -2.08 115.11 122.15 3a3i h GLN 71 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a3i h GLN 71 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 3a3i h GLN 71 CO 0.00 0.00 0.00 0.87 -2.65 0.00 0.00 178.83 177.05 3a3i h LYS 72 N 0.00 0.00 -0.77 1.69 1.57 -1.38 -1.76 116.57 115.93 3a3i h LYS 72 Ca 0.28 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 3a3i h LYS 72 Cb 1.33 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.60 3a3i h LYS 72 CO -0.00 0.00 0.49 0.28 -0.57 0.00 0.00 179.45 179.65 3a3i h VAL 73 N 0.00 1.12 -0.60 0.50 2.07 -1.60 0.19 116.25 117.93 3a3i h VAL 73 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3a3i h VAL 73 Cb 0.23 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3a3i h VAL 73 CO 0.00 0.18 0.27 -0.26 0.02 0.00 0.00 177.57 177.78 3a3i h PHE 74 N 0.96 0.88 -0.50 1.57 0.04 -1.53 -2.39 116.94 115.98 3a3i h PHE 74 Ca 0.30 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.92 3a3i h PHE 74 Cb -0.00 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 3a3i h PHE 74 CO -0.03 0.68 -0.08 1.15 -0.60 0.00 0.00 178.31 179.44 3a3i h THR 75 N 0.82 1.27 -0.36 -1.55 2.02 -1.42 -1.62 112.91 112.07 3a3i h THR 75 Ca 0.20 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 66.24 3a3i h THR 75 Cb 0.15 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3a3i h THR 75 CO -0.02 0.42 0.04 0.00 0.37 0.00 0.00 175.52 176.33 3a3i h ALA 76 N 0.91 0.37 -0.21 6.16 0.00 -0.39 0.99 119.26 127.09 3a3i h ALA 76 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3a3i h ALA 76 Cb 0.62 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3a3i h ALA 76 CO 0.04 -0.36 0.08 0.28 0.00 0.00 0.00 179.25 179.29 3a3i h VAL 77 N 0.16 1.17 -0.93 0.00 2.07 -1.10 -1.47 116.25 116.14 3a3i h VAL 77 Ca 0.18 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.20 3a3i h VAL 77 Cb 0.22 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3a3i h VAL 77 CO -0.26 0.17 0.61 0.00 0.02 0.00 0.00 177.57 178.12 3a3i h ALA 78 N 0.92 1.21 -0.26 1.67 0.00 -1.03 -0.94 119.26 120.83 3a3i h ALA 78 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3a3i h ALA 78 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3a3i h ALA 78 CO -0.00 0.53 -0.11 0.00 0.00 0.00 0.00 179.25 179.66 3a3i h ALA 79 N 1.36 0.37 -0.49 0.00 0.00 -0.66 0.30 119.26 120.14 3a3i h ALA 79 Ca 0.36 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3a3i h ALA 79 Cb -0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.54 3a3i h ALA 79 CO -0.10 0.23 -0.05 0.87 0.00 0.00 0.00 179.25 180.20 3a3i h LYS 80 N 0.28 0.06 -0.09 0.00 1.79 -0.73 0.42 116.57 118.30 3a3i h LYS 80 Ca 0.06 -0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.30 3a3i h LYS 80 Cb 0.62 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.26 3a3i h LYS 80 CO 0.04 0.04 -0.84 -0.07 -1.08 0.00 0.00 179.45 177.53 3a3i h LEU 81 N 0.06 0.79 0.00 2.94 3.38 -1.00 -2.47 115.31 119.01 3a3i h LEU 81 Ca 0.24 -0.55 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 3a3i h LEU 81 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3a3i h LEU 81 CO -0.45 1.34 -1.97 0.00 0.09 0.00 0.00 178.44 177.45 3a3i n ALA 82 N -2.59 2.31 -0.10 1.53 0.00 0.10 -4.55 120.51 117.22 3a3i n ALA 82 Ca -0.07 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.49 3a3i n ALA 82 Cb 0.78 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 3a3i n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a3i n LEU 83 N -2.51 2.95 0.00 0.00 4.77 0.14 -4.90 117.00 117.46 3a3i n LEU 83 Ca -0.13 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3a3i n LEU 83 Cb 0.77 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3a3i n LEU 83 CO 0.44 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3a3i n GLY 84 N 2.53 -1.38 0.18 -0.72 0.00 -0.92 -4.17 105.19 100.71 3a3i n GLY 84 Ca -0.35 -1.58 0.14 0.00 0.00 0.00 0.00 46.02 44.22 3a3i n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a3i h ASP 85 N 0.00 0.00 0.19 1.61 3.32 -1.90 -2.07 116.42 117.57 3a3i h ASP 85 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a3i h ASP 85 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a3i h ASP 85 CO 0.00 0.00 -0.15 0.00 -1.72 0.00 0.00 179.24 177.37 3a3i n GLN 86 N -2.52 1.02 -1.80 3.56 3.00 -1.26 -3.98 117.38 115.40 3a3i n GLN 86 Ca 0.02 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.00 56.06 3a3i n GLN 86 Cb 0.27 -1.49 -0.02 0.00 0.00 0.00 0.00 30.24 29.00 3a3i n GLN 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3a3i s PHE 87 N -2.35 2.82 0.01 1.08 5.36 -0.78 -4.81 117.98 119.31 3a3i s PHE 87 Ca 0.30 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 57.00 3a3i s PHE 87 Cb 0.20 -4.05 -0.01 0.00 -0.34 0.00 0.00 43.02 38.82 3a3i s PHE 87 CO 0.46 -3.64 -0.06 -0.65 -1.46 0.00 0.00 175.22 169.87 3a3i s GLN 88 N -0.10 0.43 0.10 10.12 -0.21 -1.26 -0.47 119.66 128.26 3a3i s GLN 88 Ca 0.65 -0.35 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 3a3i s GLN 88 Cb -0.47 -0.35 -0.06 0.00 1.00 0.00 0.00 33.01 33.13 3a3i s GLN 88 CO 0.44 0.09 1.04 -0.06 -2.12 0.00 0.00 175.29 174.67 3a3i s PHE 89 N -0.50 3.66 -0.15 0.91 0.08 -1.26 -4.82 117.98 115.90 3a3i s PHE 89 Ca -0.02 1.65 -0.06 0.00 0.12 0.00 0.00 56.93 58.61 3a3i s PHE 89 Cb -0.04 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 3a3i s PHE 89 CO -0.00 -0.29 0.07 -1.21 -0.10 0.00 0.00 175.22 173.69 3a3i s GLU 90 N 0.29 3.72 -0.17 0.44 2.02 -1.26 -0.58 118.70 123.16 3a3i s GLU 90 Ca 0.51 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 55.19 3a3i s GLU 90 Cb -0.25 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 30.85 3a3i s GLU 90 CO 0.31 0.44 -0.19 0.99 0.02 0.00 0.00 175.26 176.83 3a3i s THR 91 N -0.10 2.24 0.13 3.63 2.01 -0.69 -3.69 115.64 119.18 3a3i s THR 91 Ca 0.07 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.24 3a3i s THR 91 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3a3i s THR 91 CO 0.01 0.53 -0.16 0.00 -0.69 0.00 0.00 174.62 174.32 3a3i s ALA 92 N 1.09 1.66 -0.17 7.40 0.00 -0.44 -0.13 121.76 131.16 3a3i s ALA 92 Ca -0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 3a3i s ALA 92 Cb -0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3a3i s ALA 92 CO -0.07 0.16 -0.13 -0.51 0.00 0.00 0.00 175.76 175.20 3a3i s LEU 93 N -2.48 2.56 0.35 0.00 1.43 -0.42 0.34 118.68 120.46 3a3i s LEU 93 Ca 0.11 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3a3i s LEU 93 Cb -0.05 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3a3i s LEU 93 CO 0.04 0.06 0.07 -0.76 0.23 0.00 0.00 176.35 175.99 3a3i s LEU 94 N 0.96 2.14 -0.27 1.79 1.02 0.07 -0.33 118.68 124.05 3a3i s LEU 94 Ca -0.02 -1.45 -0.24 0.00 0.02 0.00 0.00 54.13 52.44 3a3i s LEU 94 Cb -0.15 -0.34 0.08 0.00 0.02 0.00 0.00 46.19 45.81 3a3i s LEU 94 CO -0.02 -0.68 0.79 -0.55 0.02 0.00 0.00 176.35 175.91 3a3i s SER 95 N -3.52 -0.70 0.16 2.29 0.15 -0.12 -1.18 113.70 110.78 3a3i s SER 95 Ca 0.33 1.31 -0.09 0.00 0.70 0.00 0.00 55.95 58.20 3a3i s SER 95 Cb 0.07 1.33 0.01 0.00 -1.71 0.00 0.00 66.02 65.72 3a3i s SER 95 CO 0.15 -0.22 1.49 -0.55 1.20 0.00 0.00 173.24 175.31 3a3i h ASN 96 N 5.04 0.92 -4.67 5.45 -1.07 -1.79 -1.17 115.58 118.28 3a3i h ASN 96 Ca -0.29 -0.43 -0.41 0.00 0.07 0.00 0.00 56.30 55.25 3a3i h ASN 96 Cb 1.17 -0.26 0.11 0.00 -2.07 0.00 0.00 38.32 37.27 3a3i h ASN 96 CO 0.08 1.20 0.22 0.61 0.07 0.00 0.00 177.43 179.61 3a3i n GLY 97 N 0.13 -0.20 3.78 9.14 0.00 -1.26 -4.82 105.19 111.95 3a3i n GLY 97 Ca -0.02 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 3a3i n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a3i s LYS 98 N -5.18 3.27 0.22 1.61 2.36 -1.25 -4.76 119.74 116.00 3a3i s LYS 98 Ca 0.64 -0.27 -0.25 0.00 -2.55 0.00 0.00 55.97 53.54 3a3i s LYS 98 Cb -0.03 -3.02 -0.09 0.00 -1.05 0.00 0.00 37.83 33.65 3a3i s LYS 98 CO 0.43 0.72 0.82 0.42 1.55 0.00 0.00 175.35 179.29 3a3i s ILE 99 N -0.88 4.34 0.00 5.43 1.01 -1.25 -0.56 121.20 129.28 3a3i s ILE 99 Ca 0.14 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.47 3a3i s ILE 99 Cb -0.12 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3a3i s ILE 99 CO 0.03 0.38 0.00 0.00 0.00 0.00 0.00 174.94 175.35 3a3i n GLN 100 N 1.18 0.00 -1.19 2.79 10.64 -0.25 -4.94 117.38 125.62 3a3i n GLN 100 Ca -0.03 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.08 3a3i n GLN 100 Cb 0.49 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.84 3a3i n GLN 100 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3a3i n ASN 101 N 0.00 -4.16 0.00 2.61 3.02 -1.26 -2.11 115.26 113.36 3a3i n ASN 101 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3a3i n ASN 101 Cb 0.00 -2.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 3a3i n ASN 101 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3i n GLY 102 N -1.68 0.79 3.85 7.41 0.00 -1.26 -4.88 105.19 109.42 3a3i n GLY 102 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3a3i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3i s ASN 103 N -2.63 6.36 -0.48 1.61 0.02 -0.89 0.28 114.94 119.20 3a3i s ASN 103 Ca 0.00 0.43 -0.21 0.00 -1.02 0.00 0.00 52.86 52.06 3a3i s ASN 103 Cb 0.00 -2.08 0.04 0.00 0.02 0.00 0.00 41.25 39.23 3a3i s ASN 103 CO 0.00 0.36 0.69 -0.22 0.02 0.00 0.00 177.10 177.95 3a3i s LEU 104 N -0.75 4.60 -1.36 0.60 2.96 -0.21 -1.09 118.68 123.44 3a3i s LEU 104 Ca 0.14 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 3a3i s LEU 104 Cb -0.12 -2.65 0.11 0.00 0.50 0.00 0.00 46.19 44.03 3a3i s LEU 104 CO 0.03 -0.89 2.12 -0.67 -1.32 0.00 0.00 176.35 175.62 3a3i n ASP 105 N 6.43 5.51 0.00 3.68 -0.08 0.28 -1.12 116.55 131.24 3a3i n ASP 105 Ca -0.03 -3.01 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 3a3i n ASP 105 Cb 0.47 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.42 3a3i n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3a3i n GLY 106 N 3.00 -0.95 3.80 0.27 0.00 -1.26 -3.91 105.19 106.15 3a3i n GLY 106 Ca 0.49 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 3a3i n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3i s ASN 107 N -4.00 6.45 -0.30 1.61 0.01 -1.26 -1.26 114.94 116.19 3a3i s ASN 107 Ca 0.00 1.85 -0.12 0.00 -0.71 0.00 0.00 52.86 53.88 3a3i s ASN 107 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3a3i s ASN 107 CO 0.00 -0.70 0.23 -0.22 -1.51 0.00 0.00 177.10 174.89 3a3i s LEU 108 N -3.51 4.19 -0.21 0.60 2.96 -0.57 -4.44 118.68 117.70 3a3i s LEU 108 Ca 0.65 -0.12 -0.13 0.00 -0.22 0.00 0.00 54.13 54.31 3a3i s LEU 108 Cb -0.14 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 3a3i s LEU 108 CO 0.20 -0.13 0.27 -0.63 -1.32 0.00 0.00 176.35 174.74 3a3i s ILE 109 N 1.78 5.29 -0.22 6.68 1.01 -0.33 -0.64 121.20 134.77 3a3i s ILE 109 Ca 0.07 0.44 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 3a3i s ILE 109 Cb -0.16 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3a3i s ILE 109 CO 0.11 0.32 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 3a3i s VAL 110 N 1.05 3.19 -0.31 2.92 1.01 0.11 -0.75 120.40 127.61 3a3i s VAL 110 Ca 0.13 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 3a3i s VAL 110 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3a3i s VAL 110 CO 0.05 0.39 0.20 -0.55 0.00 0.00 0.00 175.10 175.19 3a3i s SER 111 N 1.44 5.89 -0.09 3.32 0.15 0.15 -0.72 113.70 123.84 3a3i s SER 111 Ca 0.05 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.41 3a3i s SER 111 Cb -0.15 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 3a3i s SER 111 CO -0.04 -0.17 -0.21 -0.36 1.20 0.00 0.00 173.24 173.66 3a3i s PHE 112 N 1.70 2.59 -0.04 3.44 0.08 -0.24 -1.33 117.98 124.19 3a3i s PHE 112 Ca 0.06 -0.77 0.06 0.00 0.12 0.00 0.00 56.93 56.40 3a3i s PHE 112 Cb -0.17 -1.70 0.09 0.00 -0.57 0.00 0.00 43.02 40.67 3a3i s PHE 112 CO 0.09 -0.25 1.00 0.25 -0.10 0.00 0.00 175.22 176.22 3a3i n THR 113 N 3.23 1.14 0.00 0.64 -2.24 -1.24 -4.43 114.28 111.38 3a3i n THR 113 Ca -0.18 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 3a3i n THR 113 Cb 0.53 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3a3i n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3i n GLY 114 N -0.72 0.91 3.34 3.38 0.00 -0.21 -4.91 105.19 106.97 3a3i n GLY 114 Ca 0.05 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.46 3a3i n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a3i n ASP 115 N 0.00 0.87 -0.69 1.61 -0.08 -1.26 -4.78 116.55 112.23 3a3i n ASP 115 Ca 0.00 0.82 0.08 0.00 -1.51 0.00 0.00 54.79 54.18 3a3i n ASP 115 Cb 0.00 -0.88 0.25 0.00 2.34 0.00 0.00 41.12 42.84 3a3i n ASP 115 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3a3i n PRO 116 N 6.29 1.88 -0.69 -0.67 -0.04 -1.26 -3.94 135.00 136.58 3a3i n PRO 116 Ca 0.47 -1.35 0.05 0.00 -0.04 0.00 0.00 63.50 62.62 3a3i n PRO 116 Cb -0.05 -1.35 0.10 0.00 -0.04 0.00 0.00 33.50 32.16 3a3i n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3a3i n ASP 117 N 0.58 1.29 -4.64 3.54 2.03 -1.26 -4.70 116.55 113.39 3a3i n ASP 117 Ca 0.15 -2.78 -0.42 0.00 0.52 0.00 0.00 54.79 52.26 3a3i n ASP 117 Cb 0.35 -0.37 -0.04 0.00 -0.72 0.00 0.00 41.12 40.34 3a3i n ASP 117 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3a3i s LEU 118 N -1.57 4.08 0.59 -2.67 2.96 -1.25 -4.99 118.68 115.83 3a3i s LEU 118 Ca 0.27 1.03 -0.05 0.00 -0.22 0.00 0.00 54.13 55.16 3a3i s LEU 118 Cb 0.27 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.79 3a3i s LEU 118 CO -0.06 -0.52 0.88 0.42 -1.32 0.00 0.00 176.35 175.76 3a3i s THR 119 N 2.85 3.46 0.13 3.68 -4.23 -1.26 -0.98 115.64 119.28 3a3i s THR 119 Ca 0.35 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.60 3a3i s THR 119 Cb -0.15 -3.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 3a3i s THR 119 CO 0.07 -0.37 1.57 -0.09 -0.54 0.00 0.00 174.62 175.26 3a3i h ARG 120 N -0.15 0.75 -0.59 3.99 2.43 -1.96 -2.48 114.38 116.36 3a3i h ARG 120 Ca -0.45 -0.25 0.12 0.00 -0.81 0.00 0.00 59.98 58.59 3a3i h ARG 120 Cb 1.27 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.65 3a3i h ARG 120 CO 0.60 0.84 -0.10 0.78 -1.51 0.00 0.00 179.97 180.58 3a3i h GLY 121 N 0.58 0.49 1.01 2.80 0.00 -2.00 -1.32 103.07 104.63 3a3i h GLY 121 Ca 0.11 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.61 3a3i h GLY 121 CO 0.03 -0.22 0.43 1.46 0.00 0.00 0.00 176.54 178.24 3a3i h GLN 122 N 0.03 0.85 -0.82 4.80 4.20 -1.91 -1.99 115.11 120.28 3a3i h GLN 122 Ca 0.29 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 3a3i h GLN 122 Cb 0.46 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3a3i h GLN 122 CO -0.58 0.57 0.40 1.25 -0.67 0.00 0.00 178.83 179.80 3a3i h LEU 123 N 0.88 1.07 0.14 1.46 5.85 -1.21 -0.37 115.31 123.12 3a3i h LEU 123 Ca 0.24 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a3i h LEU 123 Cb -0.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 3a3i h LEU 123 CO -0.05 0.90 -0.11 0.22 -0.34 0.00 0.00 178.44 179.06 3a3i h TYR 124 N 1.16 -0.28 -0.36 1.25 3.20 -1.13 -0.63 116.97 120.18 3a3i h TYR 124 Ca 0.28 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 3a3i h TYR 124 Cb 0.11 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3a3i h TYR 124 CO 0.01 -0.17 0.21 0.77 -1.64 0.00 0.00 178.16 177.34 3a3i h SER 125 N -0.26 0.42 -0.26 -2.11 0.02 -1.24 0.64 113.55 110.77 3a3i h SER 125 Ca -0.00 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3a3i h SER 125 Cb 0.23 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3a3i h SER 125 CO -0.01 0.33 0.09 0.25 -1.14 0.00 0.00 176.83 176.35 3a3i h LEU 126 N 0.49 0.37 -0.75 5.07 5.85 -0.68 -2.98 115.31 122.69 3a3i h LEU 126 Ca 0.13 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 3a3i h LEU 126 Cb -0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3a3i h LEU 126 CO -0.02 0.46 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.24 3a3i h LEU 127 N 0.25 0.71 -1.48 2.25 3.38 0.42 -2.42 115.31 118.43 3a3i h LEU 127 Ca 0.08 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3a3i h LEU 127 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3a3i h LEU 127 CO -0.00 0.92 0.59 0.00 0.09 0.00 0.00 178.44 180.04 3a3i h ALA 128 N 1.13 1.81 0.00 1.53 0.00 0.36 0.14 119.26 124.22 3a3i h ALA 128 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3a3i h ALA 128 Cb 0.72 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3a3i h ALA 128 CO 0.06 -0.69 -0.26 0.93 0.00 0.00 0.00 179.25 179.29 3a3i h GLU 129 N 0.00 0.00 -0.35 0.00 4.39 -1.32 -2.10 114.58 115.20 3a3i h GLU 129 Ca 0.09 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.65 3a3i h GLU 129 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3a3i h GLU 129 CO -0.00 0.26 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.68 3a3i h LEU 130 N 0.00 0.87 0.92 1.33 3.38 -0.88 -2.71 115.31 118.22 3a3i h LEU 130 Ca -0.00 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3a3i h LEU 130 Cb 0.85 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.36 3a3i h LEU 130 CO 0.03 1.14 -0.45 0.11 0.09 0.00 0.00 178.44 179.37 3a3i h LYS 131 N 0.68 -1.20 -1.24 1.13 1.57 -1.58 -0.37 116.57 115.57 3a3i h LYS 131 Ca 0.06 0.08 0.36 0.00 -1.87 0.00 0.00 60.65 59.28 3a3i h LYS 131 Cb 0.92 0.27 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 3a3i h LYS 131 CO 0.08 -0.80 0.86 0.87 -0.57 0.00 0.00 179.45 179.90 3a3i h LYS 132 N -1.24 0.12 -0.89 3.15 1.57 -1.31 3.81 116.57 121.77 3a3i h LYS 132 Ca -0.13 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 3a3i h LYS 132 Cb 0.95 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.17 3a3i h LYS 132 CO 0.20 0.08 0.14 1.04 -0.57 0.00 0.00 179.45 180.34 3a3i n GLN 133 N -4.35 2.33 -1.77 3.15 6.02 -1.03 -4.93 117.38 116.80 3a3i n GLN 133 Ca 0.29 -1.48 -0.18 0.00 -0.01 0.00 0.00 57.00 55.62 3a3i n GLN 133 Cb 1.25 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 30.71 3a3i n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a3i n GLY 134 N 0.05 1.13 3.68 1.08 0.00 1.26 -4.96 105.19 107.43 3a3i n GLY 134 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3a3i n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3i s ILE 135 N -2.64 4.25 -0.10 -0.61 1.01 -0.16 -4.05 121.20 118.90 3a3i s ILE 135 Ca 0.00 1.57 0.16 0.00 0.00 0.00 0.00 60.65 62.38 3a3i s ILE 135 Cb 0.00 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.22 3a3i s ILE 135 CO 0.00 -0.02 0.21 0.29 0.00 0.00 0.00 174.94 175.43 3a3i n LYS 136 N 5.37 0.96 -3.58 2.79 4.76 0.79 -4.27 118.16 124.97 3a3i n LYS 136 Ca 0.11 -0.08 -0.14 0.00 -2.87 0.00 0.00 58.31 55.34 3a3i n LYS 136 Cb 0.46 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 3a3i n LYS 136 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3a3i s LYS 137 N -2.79 0.79 -0.17 1.97 2.20 -0.78 -1.20 119.74 119.77 3a3i s LYS 137 Ca -0.07 0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3a3i s LYS 137 Cb 0.08 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.75 3a3i s LYS 137 CO 0.70 -0.19 -0.03 0.42 -0.36 0.00 0.00 175.35 175.88 3a3i s ILE 138 N -0.56 3.81 -0.13 5.43 1.01 0.59 -1.05 121.20 130.30 3a3i s ILE 138 Ca -0.04 -0.38 0.15 0.00 0.00 0.00 0.00 60.65 60.39 3a3i s ILE 138 Cb -0.02 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3a3i s ILE 138 CO 0.03 0.47 1.18 0.78 0.00 0.00 0.00 174.94 177.40 3a3i h ASN 139 N 7.06 0.00 -0.72 3.58 -0.26 -1.27 -3.42 115.58 120.55 3a3i h ASN 139 Ca -0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 3a3i h ASN 139 Cb 1.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 3a3i h ASN 139 CO 0.61 0.55 0.00 0.61 -1.06 0.00 0.00 177.43 178.14 3a3i n GLY 140 N 1.30 2.53 3.90 2.83 0.00 -0.39 -4.85 105.19 110.51 3a3i n GLY 140 Ca -0.03 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 3a3i n GLY 140 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a3i s ASP 141 N -0.71 6.42 -0.24 1.61 1.01 -1.26 -4.06 116.67 119.44 3a3i s ASP 141 Ca 0.00 0.91 -0.27 0.00 0.71 0.00 0.00 52.55 53.91 3a3i s ASP 141 Cb 0.00 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.70 3a3i s ASP 141 CO 0.00 -0.38 0.93 -0.22 0.21 0.00 0.00 175.17 175.71 3a3i s LEU 142 N -4.01 4.08 -0.16 1.23 2.96 -0.34 -1.52 118.68 120.93 3a3i s LEU 142 Ca 0.47 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 3a3i s LEU 142 Cb -0.10 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3a3i s LEU 142 CO 0.35 -0.60 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.92 3a3i s VAL 143 N 3.03 2.50 -0.22 1.68 1.01 0.19 -0.55 120.40 128.04 3a3i s VAL 143 Ca 0.39 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 3a3i s VAL 143 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3a3i s VAL 143 CO 0.07 0.52 0.27 -0.76 0.00 0.00 0.00 175.10 175.20 3a3i s LEU 144 N 0.95 4.14 -0.43 3.92 1.43 -0.52 0.05 118.68 128.23 3a3i s LEU 144 Ca -0.03 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 3a3i s LEU 144 Cb -0.15 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.83 3a3i s LEU 144 CO -0.03 0.01 0.31 -0.62 0.23 0.00 0.00 176.35 176.25 3a3i s ASP 145 N 0.98 5.96 -0.14 2.29 -1.08 0.10 -3.97 116.67 120.80 3a3i s ASP 145 Ca 0.13 -1.21 0.16 0.00 -0.52 0.00 0.00 52.55 51.11 3a3i s ASP 145 Cb -0.14 -2.11 0.31 0.00 -1.46 0.00 0.00 42.92 39.53 3a3i s ASP 145 CO 0.06 -0.53 1.16 0.35 0.52 0.00 0.00 175.17 176.72 3a3i n THR 146 N 5.10 1.83 0.50 1.71 -2.24 -1.26 -1.08 114.28 118.84 3a3i n THR 146 Ca -0.12 -2.38 0.08 0.00 -2.27 0.00 0.00 64.05 59.37 3a3i n THR 146 Cb 0.45 -0.17 0.34 0.00 -2.10 0.00 0.00 70.33 68.84 3a3i n THR 146 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a3i n SER 147 N -1.23 0.07 0.23 3.42 3.41 -1.26 -2.85 113.62 115.42 3a3i n SER 147 Ca 0.16 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 3a3i n SER 147 Cb 0.67 -0.53 0.40 0.00 -0.26 0.00 0.00 64.21 64.49 3a3i n SER 147 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3a3i h VAL 148 N 0.00 0.19 -3.07 -3.33 -1.51 -1.89 -3.42 116.25 103.22 3a3i h VAL 148 Ca 0.00 -0.96 -0.65 0.00 -1.23 0.00 0.00 66.70 63.86 3a3i h VAL 148 Cb 0.27 1.82 -0.09 0.00 -2.13 0.00 0.00 31.29 31.16 3a3i h VAL 148 CO 0.00 0.09 -0.57 -0.36 -1.23 0.00 0.00 177.57 175.50 3a3i s PHE 149 N -3.44 3.32 0.08 5.19 0.08 -1.13 -1.25 117.98 120.82 3a3i s PHE 149 Ca 0.03 0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.31 3a3i s PHE 149 Cb 0.08 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3a3i s PHE 149 CO 0.62 0.56 -0.08 0.45 -0.10 0.00 0.00 175.22 176.68 3a3i s SER 150 N -1.96 1.08 0.99 1.36 0.15 -0.20 -4.70 113.70 110.42 3a3i s SER 150 Ca 0.26 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3a3i s SER 150 Cb -0.12 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 3a3i s SER 150 CO 0.17 -0.34 0.00 -0.24 1.20 0.00 0.00 173.24 174.03 3a3i n SER 151 N 0.61 -0.70 -4.78 5.45 2.88 -1.26 -3.65 113.62 112.17 3a3i n SER 151 Ca -0.17 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.08 3a3i n SER 151 Cb 0.58 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.15 3a3i n SER 151 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3a3i s HIS 152 N 0.00 2.67 -0.20 0.66 3.76 -1.26 -4.94 115.29 115.98 3a3i s HIS 152 Ca 0.00 1.15 0.16 0.00 -0.15 0.00 0.00 55.06 56.22 3a3i s HIS 152 Cb 0.00 -3.15 0.65 0.00 1.11 0.00 0.00 32.58 31.19 3a3i s HIS 152 CO 0.00 -1.98 1.56 -0.25 -0.85 0.00 0.00 174.74 173.22 3a3i n ASP 153 N -3.58 4.62 -4.28 1.40 8.00 -1.26 -4.65 116.55 116.81 3a3i n ASP 153 Ca 0.07 -3.00 -0.26 0.00 0.71 0.00 0.00 54.79 52.31 3a3i n ASP 153 Cb 0.56 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.92 3a3i n ASP 153 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a3i s ARG 154 N -2.82 1.38 0.64 -1.24 0.52 -1.26 -4.02 118.95 112.16 3a3i s ARG 154 Ca 0.47 -1.03 -0.16 0.00 -0.52 0.00 0.00 55.73 54.50 3a3i s ARG 154 Cb 0.37 -1.56 -0.01 0.00 0.52 0.00 0.00 34.95 34.28 3a3i s ARG 154 CO 0.12 0.39 1.11 0.20 0.02 0.00 0.00 175.30 177.14 3a3i s GLY 155 N -1.38 2.23 0.29 -3.53 0.00 -1.26 -4.91 107.32 98.75 3a3i s GLY 155 Ca 0.08 0.59 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 3a3i s GLY 155 CO 0.03 0.94 1.35 1.08 0.00 0.00 0.00 173.10 176.50 3a3i s LEU 156 N -4.71 4.41 0.00 0.66 1.43 -1.26 -3.17 118.68 116.04 3a3i s LEU 156 Ca 0.68 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.44 3a3i s LEU 156 Cb -0.21 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.37 3a3i s LEU 156 CO 0.39 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.99 3a3i n GLY 157 N 1.40 0.72 3.78 -3.19 0.00 -1.26 -4.63 105.19 102.01 3a3i n GLY 157 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3a3i n GLY 157 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a3i s TRP 158 N -2.53 2.97 0.08 1.61 0.52 -1.19 -0.96 118.94 119.43 3a3i s TRP 158 Ca 0.00 1.58 -0.27 0.00 0.02 0.00 0.00 56.10 57.43 3a3i s TRP 158 Cb 0.00 -3.21 -0.06 0.00 -1.15 0.00 0.00 33.47 29.05 3a3i s TRP 158 CO 0.00 -1.11 0.84 0.42 0.02 0.00 0.00 176.95 177.12 3a3i s ILE 159 N -1.73 4.62 0.23 2.03 1.01 -1.26 -4.96 121.20 121.14 3a3i s ILE 159 Ca 0.65 1.79 -0.02 0.00 0.00 0.00 0.00 60.65 63.07 3a3i s ILE 159 Cb -0.23 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.08 3a3i s ILE 159 CO 0.27 0.36 1.63 4.11 0.00 0.00 0.00 174.94 181.32 3a3i h TRP 160 N 5.53 0.74 0.00 3.97 5.08 -2.02 -2.76 115.95 126.49 3a3i h TRP 160 Ca -0.44 -0.18 0.00 0.00 1.08 0.00 0.00 58.89 59.35 3a3i h TRP 160 Cb 1.21 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 3a3i h TRP 160 CO 0.65 0.86 0.00 0.27 -1.28 0.00 0.00 178.44 178.94 3a3i n ASN 161 N -4.08 0.20 0.01 0.11 6.94 -1.26 -1.93 115.26 115.25 3a3i n ASN 161 Ca -0.01 0.52 0.13 0.00 -0.02 0.00 0.00 54.58 55.20 3a3i n ASN 161 Cb 0.46 -0.58 0.36 0.00 -2.36 0.00 0.00 39.78 37.66 3a3i n ASN 161 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3a3i n ASP 162 N -1.70 0.39 0.31 0.53 8.00 -1.04 -4.33 116.55 118.71 3a3i n ASP 162 Ca 0.06 0.08 0.19 0.00 0.71 0.00 0.00 54.79 55.82 3a3i n ASP 162 Cb 0.33 -0.05 1.00 0.00 -0.02 0.00 0.00 41.12 42.38 3a3i n ASP 162 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3a3i h LEU 163 N 0.00 0.00 -0.05 0.64 3.38 -1.44 -0.65 115.31 117.18 3a3i h LEU 163 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a3i h LEU 163 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3a3i h LEU 163 CO 0.00 0.02 -0.22 0.35 0.09 0.00 0.00 178.44 178.69 3a3i n THR 164 N -3.38 0.00 -2.81 0.22 -2.24 -1.26 -4.65 114.28 100.16 3a3i n THR 164 Ca -0.02 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 3a3i n THR 164 Cb 0.13 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3a3i n THR 164 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3a3i s MET 165 N -2.88 4.52 0.36 -0.78 -1.94 -0.25 -0.30 119.30 118.03 3a3i s MET 165 Ca 0.16 1.27 0.12 0.00 -1.71 0.00 0.00 55.69 55.53 3a3i s MET 165 Cb 0.19 -2.75 0.68 0.00 2.01 0.00 0.00 34.83 34.96 3a3i s MET 165 CO 0.58 0.26 1.81 0.00 -0.01 0.00 0.00 175.02 177.66 3a3i h PHE 167 N 0.02 0.00 -0.41 0.00 -5.15 -1.93 -1.51 116.94 107.97 3a3i h PHE 167 Ca -0.00 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.60 3a3i h PHE 167 Cb 0.69 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.76 3a3i h PHE 167 CO 0.00 0.00 0.03 -1.71 -2.00 0.00 0.00 178.31 174.63 3a3i n ASN 168 N -2.90 3.05 -4.77 -0.68 2.85 -0.49 -4.71 115.26 107.61 3a3i n ASN 168 Ca -0.02 -3.54 -0.34 0.00 -0.11 0.00 0.00 54.58 50.57 3a3i n ASN 168 Cb 0.13 -0.64 0.02 0.00 1.24 0.00 0.00 39.78 40.53 3a3i n ASN 168 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3a3i s SER 169 N -2.21 5.51 0.07 1.20 1.04 -0.57 -4.86 113.70 113.88 3a3i s SER 169 Ca 0.46 2.11 -0.31 0.00 0.48 0.00 0.00 55.95 58.69 3a3i s SER 169 Cb 0.40 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.89 3a3i s SER 169 CO 0.04 -1.36 1.25 -2.16 0.98 0.00 0.00 173.24 171.99 3a3i s PRO 170 N -3.57 4.40 -1.41 4.02 0.04 -1.26 -4.81 135.00 132.40 3a3i s PRO 170 Ca 0.71 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 63.47 3a3i s PRO 170 Cb -0.23 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 3a3i s PRO 170 CO 0.32 -0.32 2.49 -0.35 0.04 0.00 0.00 177.00 179.18 3a3i n PRO 171 N 4.03 3.00 -2.31 0.56 -0.04 -1.26 -4.92 135.00 134.06 3a3i n PRO 171 Ca 0.10 -2.26 -0.25 0.00 -0.04 0.00 0.00 63.50 61.05 3a3i n PRO 171 Cb 0.45 -2.98 0.08 0.00 -0.04 0.00 0.00 33.50 31.01 3a3i n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a3i s ALA 172 N 2.97 3.30 0.11 0.55 0.00 -1.26 -4.67 121.76 122.77 3a3i s ALA 172 Ca 0.56 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.21 3a3i s ALA 172 Cb 0.15 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.77 3a3i s ALA 172 CO -0.05 -1.29 1.71 0.00 0.00 0.00 0.00 175.76 176.12 3a3i h ALA 173 N -0.54 0.31 -2.48 0.00 0.00 -1.89 -3.39 119.26 111.27 3a3i h ALA 173 Ca -0.43 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 3a3i h ALA 173 Cb 1.30 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 3a3i h ALA 173 CO 0.55 -0.15 0.22 0.00 0.00 0.00 0.00 179.25 179.87 3a3i s ALA 174 N -5.83 3.57 -0.21 0.00 0.00 -1.26 -1.05 121.76 116.99 3a3i s ALA 174 Ca -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 3a3i s ALA 174 Cb 0.08 -3.07 0.11 0.00 0.00 0.00 0.00 23.12 20.23 3a3i s ALA 174 CO 0.71 -0.69 0.28 1.21 0.00 0.00 0.00 175.76 177.27 3a3i s ASN 175 N 1.28 0.87 -0.09 0.00 3.84 -1.26 -4.85 114.94 114.73 3a3i s ASN 175 Ca 0.30 0.02 0.02 0.00 0.21 0.00 0.00 52.86 53.42 3a3i s ASN 175 Cb -0.16 0.68 0.01 0.00 -0.55 0.00 0.00 41.25 41.24 3a3i s ASN 175 CO 0.10 -0.31 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.31 3a3i s ILE 176 N 2.42 1.52 -1.43 -5.21 1.01 -1.26 -4.28 121.20 113.97 3a3i s ILE 176 Ca 0.08 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 3a3i s ILE 176 Cb -0.15 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3a3i s ILE 176 CO -0.13 0.44 0.29 0.47 0.00 0.00 0.00 174.94 176.01 3a3i n ASP 177 N 3.94 -0.59 -0.36 3.58 8.00 -0.15 -0.95 116.55 130.01 3a3i n ASP 177 Ca -0.20 -1.17 -0.05 0.00 0.71 0.00 0.00 54.79 54.08 3a3i n ASP 177 Cb 0.52 -2.25 -0.02 0.00 -0.02 0.00 0.00 41.12 39.35 3a3i n ASP 177 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a3i n ASN 178 N -2.81 -4.88 -3.91 -2.24 3.02 -1.26 -2.35 115.26 100.83 3a3i n ASN 178 Ca -0.28 0.12 -0.31 0.00 -0.03 0.00 0.00 54.58 54.08 3a3i n ASN 178 Cb 0.67 -2.79 0.02 0.00 -0.61 0.00 0.00 39.78 37.06 3a3i n ASN 178 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3a3i n ASN 179 N -0.52 -4.60 -4.36 6.41 5.03 -0.13 -4.80 115.26 112.30 3a3i n ASN 179 Ca -0.05 -0.78 -0.24 0.00 0.87 0.00 0.00 54.58 54.38 3a3i n ASN 179 Cb 0.37 -3.68 -0.12 0.00 -1.02 0.00 0.00 39.78 35.33 3a3i n ASN 179 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a3i s PHE 181 N -1.73 1.30 0.13 0.00 -0.12 -0.22 -4.88 117.98 112.46 3a3i s PHE 181 Ca 0.16 -1.43 0.03 0.00 -0.05 0.00 0.00 56.93 55.64 3a3i s PHE 181 Cb -0.07 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 3a3i s PHE 181 CO 0.07 -0.78 -0.07 1.52 -0.05 0.00 0.00 175.22 175.92 3a3i s TYR 182 N -3.83 1.10 0.15 3.49 -0.85 -1.26 -0.71 117.35 115.43 3a3i s TYR 182 Ca 0.38 -0.86 0.10 0.00 -0.52 0.00 0.00 57.07 56.17 3a3i s TYR 182 Cb 0.04 -0.60 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 3a3i s TYR 182 CO 0.18 -0.06 -0.21 0.00 -1.52 0.00 0.00 175.55 173.94 3a3i s ALA 183 N -3.50 2.61 -0.19 9.51 0.00 0.48 -4.39 121.76 126.28 3a3i s ALA 183 Ca 0.16 -1.47 -0.15 0.00 0.00 0.00 0.00 51.96 50.50 3a3i s ALA 183 Cb 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3a3i s ALA 183 CO -0.01 0.52 0.35 -1.21 0.00 0.00 0.00 175.76 175.42 3a3i s GLU 184 N -2.34 4.19 0.03 0.00 2.02 0.12 -1.30 118.70 121.42 3a3i s GLU 184 Ca 0.19 0.14 0.07 0.00 0.02 0.00 0.00 54.97 55.39 3a3i s GLU 184 Cb -0.10 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 3a3i s GLU 184 CO 0.10 0.04 -0.19 -0.51 0.02 0.00 0.00 175.26 174.72 3a3i s LEU 185 N 1.06 2.53 -0.22 1.80 1.02 0.25 -0.46 118.68 124.65 3a3i s LEU 185 Ca 0.18 -0.43 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 3a3i s LEU 185 Cb -0.14 -1.48 0.06 0.00 0.02 0.00 0.00 46.19 44.65 3a3i s LEU 185 CO 0.07 0.27 -0.01 -0.62 0.02 0.00 0.00 176.35 176.08 3a3i s ASP 186 N -1.32 3.46 -0.16 2.29 -1.08 0.55 -1.95 116.67 118.45 3a3i s ASP 186 Ca 0.14 -1.05 0.17 0.00 -0.52 0.00 0.00 52.55 51.29 3a3i s ASP 186 Cb -0.10 -0.92 0.39 0.00 -1.46 0.00 0.00 42.92 40.83 3a3i s ASP 186 CO 0.04 -0.27 1.26 0.00 0.52 0.00 0.00 175.17 176.72 3a3i n ALA 187 N 4.84 2.76 -2.42 3.66 0.00 -1.26 -1.59 120.51 126.51 3a3i n ALA 187 Ca -0.10 -2.63 -0.43 0.00 0.00 0.00 0.00 53.44 50.28 3a3i n ALA 187 Cb 0.45 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3a3i n ALA 187 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a3i n ASN 188 N -1.11 4.73 -3.72 0.00 5.15 -0.57 -1.97 115.26 117.77 3a3i n ASN 188 Ca 0.19 -2.91 -0.10 0.00 -0.60 0.00 0.00 54.58 51.16 3a3i n ASN 188 Cb 0.75 -1.72 -0.04 0.00 -0.53 0.00 0.00 39.78 38.24 3a3i n ASN 188 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3a3i s LYS 189 N 3.80 1.28 0.49 1.20 1.02 -1.26 -5.01 119.74 121.25 3a3i s LYS 189 Ca 0.52 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.45 3a3i s LYS 189 Cb 0.06 0.50 -0.07 0.00 -0.52 0.00 0.00 37.83 37.80 3a3i s LYS 189 CO 0.04 -0.53 1.13 -0.80 -0.92 0.00 0.00 175.35 174.27 3a3i s ASN 190 N -2.86 6.04 0.01 2.83 0.02 -1.26 -4.80 114.94 114.92 3a3i s ASN 190 Ca 0.08 2.19 -0.34 0.00 -1.02 0.00 0.00 52.86 53.78 3a3i s ASN 190 Cb 0.00 -2.59 -0.17 0.00 0.02 0.00 0.00 41.25 38.51 3a3i s ASN 190 CO -0.05 -1.00 0.90 -2.65 0.02 0.00 0.00 177.10 174.32 3a3i n PRO 191 N -0.84 0.00 0.00 -0.60 -0.02 -1.26 -1.27 135.00 131.01 3a3i n PRO 191 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3a3i n PRO 191 Cb 0.50 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3a3i n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a3i n GLY 192 N 1.30 3.17 3.84 -1.23 0.00 -0.65 -4.97 105.19 106.66 3a3i n GLY 192 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3a3i n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3i s GLU 193 N -0.37 3.04 -0.04 1.61 2.02 -0.39 -4.74 118.70 119.82 3a3i s GLU 193 Ca 0.00 0.77 -0.21 0.00 0.02 0.00 0.00 54.97 55.55 3a3i s GLU 193 Cb 0.00 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 3a3i s GLU 193 CO 0.00 -0.98 0.62 0.42 0.02 0.00 0.00 175.26 175.34 3a3i s ILE 194 N -3.15 4.99 0.36 -1.63 -1.09 -1.26 -0.83 121.20 118.59 3a3i s ILE 194 Ca 0.57 1.29 -0.27 0.00 -2.23 0.00 0.00 60.65 60.02 3a3i s ILE 194 Cb -0.13 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.70 3a3i s ILE 194 CO 0.54 0.35 1.15 -0.69 -1.23 0.00 0.00 174.94 175.06 3a3i s VAL 195 N 0.27 3.26 -0.19 2.92 1.01 0.13 -4.89 120.40 122.91 3a3i s VAL 195 Ca 0.33 1.13 -0.17 0.00 0.00 0.00 0.00 61.98 63.26 3a3i s VAL 195 Cb -0.18 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3a3i s VAL 195 CO 0.17 0.16 0.47 -0.75 0.00 0.00 0.00 175.10 175.15 3a3i s LYS 196 N -2.03 4.20 -0.21 2.72 2.20 -0.62 -4.67 119.74 121.34 3a3i s LYS 196 Ca 0.53 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 56.49 3a3i s LYS 196 Cb -0.31 -3.54 0.04 0.00 -1.51 0.00 0.00 37.83 32.51 3a3i s LYS 196 CO 0.40 -0.07 -0.12 0.42 -0.36 0.00 0.00 175.35 175.62 3a3i s ILE 197 N 1.38 1.81 -0.01 5.43 1.01 -1.26 -0.33 121.20 129.23 3a3i s ILE 197 Ca 0.22 -1.10 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3a3i s ILE 197 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3a3i s ILE 197 CO 0.09 0.21 -0.15 0.20 0.00 0.00 0.00 174.94 175.29 3a3i s ASN 198 N 1.33 4.00 -0.25 3.58 0.01 0.39 -4.96 114.94 119.03 3a3i s ASN 198 Ca -0.01 -0.28 -0.18 0.00 -0.71 0.00 0.00 52.86 51.68 3a3i s ASN 198 Cb -0.16 -0.78 -0.03 0.00 0.41 0.00 0.00 41.25 40.69 3a3i s ASN 198 CO -0.09 0.31 0.53 -0.69 -1.51 0.00 0.00 177.10 175.65 3a3i s VAL 199 N -0.83 5.07 0.51 1.60 1.01 -1.26 -0.70 120.40 125.78 3a3i s VAL 199 Ca 0.13 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.82 3a3i s VAL 199 Cb -0.11 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3a3i s VAL 199 CO 0.03 0.09 0.77 -2.65 0.00 0.00 0.00 175.10 173.34 3a3i n PRO 200 N 5.45 0.85 0.31 2.72 -0.02 -1.26 -4.87 135.00 138.18 3a3i n PRO 200 Ca -0.04 0.32 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 3a3i n PRO 200 Cb 0.50 -1.87 1.01 0.00 -0.02 0.00 0.00 33.50 33.12 3a3i n PRO 200 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3i h ALA 201 N 0.78 1.34 0.00 3.55 0.00 -1.98 -2.27 119.26 120.67 3a3i h ALA 201 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3a3i h ALA 201 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3a3i h ALA 201 CO 0.52 0.01 0.00 -0.56 0.00 0.00 0.00 179.25 179.21 3a3i h GLN 202 N 0.00 0.00 -4.95 0.00 -0.00 -2.01 -3.44 115.11 104.71 3a3i h GLN 202 Ca -0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 58.01 3a3i h GLN 202 Cb 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 27.48 27.33 3a3i h GLN 202 CO 0.00 0.00 -0.53 -0.06 -0.00 0.00 0.00 178.83 178.24 3a3i s PHE 203 N -3.54 3.22 -1.37 0.06 0.08 -0.86 -4.98 117.98 110.60 3a3i s PHE 203 Ca 0.02 0.08 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 3a3i s PHE 203 Cb 0.09 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.16 3a3i s PHE 203 CO 0.43 -0.13 2.47 -0.35 -0.10 0.00 0.00 175.22 177.53 3a3i n PRO 204 N 4.85 2.93 -4.24 0.24 -0.04 -1.26 -4.88 135.00 132.59 3a3i n PRO 204 Ca -0.15 -2.20 -0.19 0.00 -0.04 0.00 0.00 63.50 60.93 3a3i n PRO 204 Cb 0.52 -2.94 -0.11 0.00 -0.04 0.00 0.00 33.50 30.93 3a3i n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3a3i s ILE 205 N 3.03 1.35 -0.12 0.52 -1.09 -1.26 -4.93 121.20 118.71 3a3i s ILE 205 Ca 0.56 -1.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.32 3a3i s ILE 205 Cb 0.15 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.53 3a3i s ILE 205 CO -0.05 -0.35 -0.06 -1.10 -1.23 0.00 0.00 174.94 172.15 3a3i s GLN 206 N -2.46 3.28 -0.17 2.79 -1.52 -0.76 -4.94 119.66 115.88 3a3i s GLN 206 Ca 0.07 -0.55 -0.02 0.00 -1.95 0.00 0.00 55.36 52.91 3a3i s GLN 206 Cb -0.06 -2.75 -0.01 0.00 -0.22 0.00 0.00 33.01 29.96 3a3i s GLN 206 CO 0.03 0.40 -0.08 0.08 -0.25 0.00 0.00 175.29 175.47 3a3i s VAL 207 N -0.09 3.27 0.25 1.09 1.01 -1.26 -0.66 120.40 124.01 3a3i s VAL 207 Ca 0.01 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3a3i s VAL 207 Cb -0.13 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3a3i s VAL 207 CO 0.03 0.48 0.08 0.72 0.00 0.00 0.00 175.10 176.41 3a3i s PHE 208 N 0.82 1.53 0.00 5.22 -0.12 0.10 -4.95 117.98 120.58 3a3i s PHE 208 Ca -0.03 -1.14 0.00 0.00 -0.05 0.00 0.00 56.93 55.71 3a3i s PHE 208 Cb -0.15 -0.90 0.00 0.00 -0.63 0.00 0.00 43.02 41.34 3a3i s PHE 208 CO 0.01 -0.29 0.00 0.41 -0.05 0.00 0.00 175.22 175.30 3a3i n GLY 209 N -0.46 -1.97 2.93 1.99 0.00 -1.26 -0.46 105.19 105.96 3a3i n GLY 209 Ca -0.01 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 3a3i n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a3i s GLN 210 N -0.09 0.10 -0.16 1.61 -0.21 -1.06 -4.83 119.66 115.02 3a3i s GLN 210 Ca 0.00 0.37 -0.05 0.00 0.02 0.00 0.00 55.36 55.70 3a3i s GLN 210 Cb 0.00 -0.16 -0.03 0.00 1.00 0.00 0.00 33.01 33.81 3a3i s GLN 210 CO 0.00 -0.16 0.00 0.08 -2.12 0.00 0.00 175.29 173.10 3a3i s VAL 211 N 1.11 4.26 0.11 1.09 1.01 -1.26 -3.95 120.40 122.77 3a3i s VAL 211 Ca -0.09 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3a3i s VAL 211 Cb -0.11 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3a3i s VAL 211 CO -0.06 0.49 0.09 -0.72 0.00 0.00 0.00 175.10 174.90 3a3i s TYR 212 N 0.27 3.16 0.14 5.22 -0.85 -0.82 0.19 117.35 124.67 3a3i s TYR 212 Ca -0.00 0.04 -0.31 0.00 -0.52 0.00 0.00 57.07 56.28 3a3i s TYR 212 Cb -0.13 -1.58 -0.08 0.00 0.38 0.00 0.00 41.96 40.55 3a3i s TYR 212 CO 0.02 0.52 1.32 0.08 -1.52 0.00 0.00 175.55 175.96 3a3i s VAL 213 N -1.50 3.43 -0.05 -3.49 1.01 -0.01 -1.93 120.40 117.86 3a3i s VAL 213 Ca 0.30 1.08 -0.04 0.00 0.00 0.00 0.00 61.98 63.32 3a3i s VAL 213 Cb -0.11 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3a3i s VAL 213 CO 0.22 0.11 0.15 0.00 0.00 0.00 0.00 175.10 175.58 3a3i s ALA 214 N 0.71 3.85 0.77 5.51 0.00 0.15 -1.63 121.76 131.11 3a3i s ALA 214 Ca 0.60 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 3a3i s ALA 214 Cb -0.35 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 20.98 3a3i s ALA 214 CO 0.33 0.69 1.11 0.16 0.00 0.00 0.00 175.76 178.05 3a3i s ASP 215 N -1.56 4.37 0.55 0.00 1.47 -1.26 -4.08 116.67 116.16 3a3i s ASP 215 Ca 0.22 1.94 0.33 0.00 1.18 0.00 0.00 52.55 56.23 3a3i s ASP 215 Cb -0.12 -2.54 1.49 0.00 -0.34 0.00 0.00 42.92 41.41 3a3i s ASP 215 CO 0.12 -2.13 1.83 0.77 0.68 0.00 0.00 175.17 176.44 3a3i h SER 216 N -0.96 0.00 0.00 2.11 4.64 -1.98 0.12 113.55 117.48 3a3i h SER 216 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3a3i h SER 216 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3a3i h SER 216 CO 0.50 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.05 3a3i n ASN 217 N -4.10 0.00 0.30 4.97 4.13 -1.26 -3.77 115.26 115.53 3a3i n ASN 217 Ca 0.20 0.66 0.18 0.00 1.68 0.00 0.00 54.58 57.30 3a3i n ASN 217 Cb 1.06 -0.16 0.91 0.00 -1.54 0.00 0.00 39.78 40.05 3a3i n ASN 217 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3a3i h GLU 218 N 0.00 0.00 -0.97 3.52 4.81 -1.82 -3.26 114.58 116.85 3a3i h GLU 218 Ca 0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 3a3i h GLU 218 Cb 0.00 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.29 3a3i h GLU 218 CO 0.00 0.04 0.61 0.00 -0.73 0.00 0.00 179.01 178.93 3a3i h ALA 219 N 1.96 1.84 0.00 2.92 0.00 -0.86 -1.10 119.26 124.02 3a3i h ALA 219 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3a3i h ALA 219 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a3i h ALA 219 CO 0.01 -0.17 -0.33 -1.00 0.00 0.00 0.00 179.25 177.75 3a3i h PRO 220 N 0.67 0.00 0.00 0.00 0.13 -1.69 -2.94 132.00 128.16 3a3i h PRO 220 Ca 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.66 3a3i h PRO 220 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3a3i h PRO 220 CO -0.30 0.33 0.00 0.66 -0.23 0.00 0.00 178.00 178.46 3a3i n TYR 221 N -3.69 0.84 -1.75 1.56 0.53 -0.42 -4.98 117.16 109.25 3a3i n TYR 221 Ca -0.01 0.32 -0.42 0.00 -1.02 0.00 0.00 57.90 56.78 3a3i n TYR 221 Cb 0.43 -1.02 -0.01 0.00 -1.03 0.00 0.00 39.34 37.71 3a3i n TYR 221 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3a3i s GLN 223 N -1.34 1.77 -0.28 0.00 -0.21 -1.26 -5.00 119.66 113.34 3a3i s GLN 223 Ca 0.59 -0.76 -0.15 0.00 0.02 0.00 0.00 55.36 55.06 3a3i s GLN 223 Cb -0.51 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 31.78 3a3i s GLN 223 CO 0.57 0.45 0.36 -1.17 -2.12 0.00 0.00 175.29 173.38 3a3i s LEU 224 N -0.46 4.11 -0.12 2.90 2.96 -1.25 -2.10 118.68 124.71 3a3i s LEU 224 Ca 0.07 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.06 3a3i s LEU 224 Cb -0.09 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 3a3i s LEU 224 CO -0.00 -0.21 0.21 -1.81 -1.32 0.00 0.00 176.35 173.21 3a3i s ASP 225 N 1.67 6.43 -0.12 3.68 1.01 -0.18 -4.96 116.67 124.20 3a3i s ASP 225 Ca 0.14 0.51 0.01 0.00 0.71 0.00 0.00 52.55 53.92 3a3i s ASP 225 Cb -0.16 -2.12 0.02 0.00 1.01 0.00 0.00 42.92 41.67 3a3i s ASP 225 CO 0.10 0.30 -0.15 -0.69 0.21 0.00 0.00 175.17 174.95 3a3i s VAL 226 N -0.52 1.50 -0.08 -1.27 1.01 -1.26 -1.31 120.40 118.48 3a3i s VAL 226 Ca 0.15 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3a3i s VAL 226 Cb -0.13 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3a3i s VAL 226 CO 0.04 0.44 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 3a3i s VAL 227 N 1.18 1.91 -0.03 2.92 1.01 0.71 -4.96 120.40 123.15 3a3i s VAL 227 Ca -0.02 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 3a3i s VAL 227 Cb -0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3a3i s VAL 227 CO -0.05 0.53 0.50 -0.69 0.00 0.00 0.00 175.10 175.39 3a3i s VAL 228 N 0.17 5.01 0.46 2.92 1.01 -1.26 -0.53 120.40 128.19 3a3i s VAL 228 Ca -0.12 1.03 0.03 0.00 0.00 0.00 0.00 61.98 62.92 3a3i s VAL 228 Cb -0.16 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3a3i s VAL 228 CO 0.06 0.45 0.02 -1.00 0.00 0.00 0.00 175.10 174.63 3a3i s HIS 229 N -0.28 2.05 0.85 5.22 3.76 0.87 -4.96 115.29 122.81 3a3i s HIS 229 Ca 0.27 -0.90 -0.10 0.00 -0.15 0.00 0.00 55.06 54.17 3a3i s HIS 229 Cb -0.17 -1.60 0.10 0.00 1.11 0.00 0.00 32.58 32.02 3a3i s HIS 229 CO 0.14 0.23 1.13 -0.51 -0.85 0.00 0.00 174.74 174.88 3a3i s ASP 230 N -3.78 3.65 -1.30 1.40 1.01 -1.26 -3.64 116.67 112.75 3a3i s ASP 230 Ca 0.17 2.04 -0.04 0.00 0.71 0.00 0.00 52.55 55.43 3a3i s ASP 230 Cb 0.04 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.44 3a3i s ASP 230 CO 0.09 -2.62 1.04 0.59 0.21 0.00 0.00 175.17 174.48 3a3i n ASN 231 N -3.87 -3.79 -3.68 0.27 5.03 -1.26 -3.29 115.26 104.67 3a3i n ASN 231 Ca 0.11 -0.62 -0.21 0.00 0.87 0.00 0.00 54.58 54.72 3a3i n ASN 231 Cb 0.52 -4.89 0.04 0.00 -1.02 0.00 0.00 39.78 34.43 3a3i n ASN 231 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3a3i n ASN 232 N -3.06 -1.37 -4.29 6.41 5.03 -1.25 -4.76 115.26 111.97 3a3i n ASN 232 Ca -0.15 -0.80 -0.34 0.00 0.87 0.00 0.00 54.58 54.16 3a3i n ASN 232 Cb 0.62 -4.15 -0.15 0.00 -1.02 0.00 0.00 39.78 35.08 3a3i n ASN 232 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3a3i s ARG 233 N -5.95 3.29 -0.20 3.52 0.52 -1.21 -1.84 118.95 117.08 3a3i s ARG 233 Ca 0.03 -0.71 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3a3i s ARG 233 Cb -0.01 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.76 3a3i s ARG 233 CO 0.80 0.01 -0.14 0.71 0.02 0.00 0.00 175.30 176.70 3a3i s TYR 234 N 0.87 2.89 -0.20 -0.53 2.02 0.16 -0.09 117.35 122.48 3a3i s TYR 234 Ca -0.03 -1.51 -0.21 0.00 -0.37 0.00 0.00 57.07 54.95 3a3i s TYR 234 Cb -0.15 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 3a3i s TYR 234 CO -0.00 -0.74 0.63 -1.14 -1.57 0.00 0.00 175.55 172.72 3a3i s GLN 235 N 1.33 4.21 0.01 -0.62 0.74 0.31 -0.72 119.66 124.92 3a3i s GLN 235 Ca 0.04 0.61 0.00 0.00 0.05 0.00 0.00 55.36 56.06 3a3i s GLN 235 Cb -0.14 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 3a3i s GLN 235 CO -0.09 -0.24 0.08 0.14 -0.55 0.00 0.00 175.29 174.63 3a3i s VAL 236 N 1.90 4.69 0.23 1.34 -7.23 0.39 -0.20 120.40 121.52 3a3i s VAL 236 Ca 0.29 -0.47 -0.08 0.00 -1.81 0.00 0.00 61.98 59.91 3a3i s VAL 236 Cb -0.16 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 3a3i s VAL 236 CO 0.10 0.31 0.32 -0.54 -0.31 0.00 0.00 175.10 174.99 3a3i s LYS 237 N -1.84 1.39 0.00 4.82 1.02 -0.43 -2.56 119.74 122.14 3a3i s LYS 237 Ca 0.24 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.81 3a3i s LYS 237 Cb -0.12 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 3a3i s LYS 237 CO 0.15 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 3a3i n GLY 238 N -0.33 0.10 3.66 -3.33 0.00 -1.25 -1.01 105.19 103.03 3a3i n GLY 238 Ca -0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 3a3i n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3i s LEU 240 N -3.03 0.64 0.33 0.00 1.43 -0.81 -3.89 118.68 113.34 3a3i s LEU 240 Ca 0.20 0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.06 3a3i s LEU 240 Cb -0.02 1.50 -0.09 0.00 0.03 0.00 0.00 46.19 47.61 3a3i s LEU 240 CO 0.10 -0.56 1.08 0.00 0.23 0.00 0.00 176.35 177.20 3a3i s ALA 241 N -1.95 3.27 0.34 4.21 0.00 -1.26 0.30 121.76 126.67 3a3i s ALA 241 Ca -0.09 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 3a3i s ALA 241 Cb -0.02 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 3a3i s ALA 241 CO 0.01 -0.18 0.88 -2.13 0.00 0.00 0.00 175.76 174.33 3a3i n ARG 242 N 0.67 1.09 -3.95 0.00 0.63 -1.26 -4.87 116.66 108.97 3a3i n ARG 242 Ca 0.01 0.39 -0.13 0.00 -0.92 0.00 0.00 57.85 57.20 3a3i n ARG 242 Cb 0.47 -1.76 -0.14 0.00 0.45 0.00 0.00 32.46 31.48 3a3i n ARG 242 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3a3i s GLN 243 N -1.64 0.13 0.09 -0.14 -0.21 -0.83 -5.00 119.66 112.06 3a3i s GLN 243 Ca 0.61 -0.07 -0.16 0.00 0.02 0.00 0.00 55.36 55.76 3a3i s GLN 243 Cb -0.66 -0.11 -0.09 0.00 1.00 0.00 0.00 33.01 33.15 3a3i s GLN 243 CO 0.58 0.03 1.42 1.88 -2.12 0.00 0.00 175.29 177.09 3a3i h TYR 244 N 6.06 0.75 -3.31 0.91 0.05 -1.94 -1.53 116.97 117.97 3a3i h TYR 244 Ca -0.25 -0.22 -0.67 0.00 0.05 0.00 0.00 58.73 57.64 3a3i h TYR 244 Cb 1.20 -0.16 -0.16 0.00 1.01 0.00 0.00 36.73 38.63 3a3i h TYR 244 CO 0.42 0.93 -0.62 0.15 -1.05 0.00 0.00 178.16 177.98 3a3i s LYS 245 N -4.42 3.14 1.00 4.88 1.02 -1.26 -4.61 119.74 119.48 3a3i s LYS 245 Ca -0.13 -0.41 -0.19 0.00 0.02 0.00 0.00 55.97 55.26 3a3i s LYS 245 Cb 0.08 -2.84 -0.16 0.00 -0.52 0.00 0.00 37.83 34.39 3a3i s LYS 245 CO 0.81 0.62 -0.93 -0.35 -0.92 0.00 0.00 175.35 174.58 3a3i n PRO 246 N 2.40 0.00 -3.70 -1.68 -0.04 -1.26 -4.77 135.00 125.95 3a3i n PRO 246 Ca -0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 3a3i n PRO 246 Cb 0.53 -1.00 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 3a3i n PRO 246 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a3i s PHE 247 N -1.99 -0.25 -0.01 0.54 -0.12 -0.82 -5.01 117.98 110.31 3a3i s PHE 247 Ca 0.39 -0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 57.17 3a3i s PHE 247 Cb -0.13 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3a3i s PHE 247 CO 0.80 -1.03 0.06 0.20 -0.05 0.00 0.00 175.22 175.20 3a3i s GLY 248 N -2.86 1.98 -0.07 1.99 0.00 -1.26 -0.58 107.32 106.51 3a3i s GLY 248 Ca 0.08 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.95 3a3i s GLY 248 CO -0.01 -0.75 -0.16 1.08 0.00 0.00 0.00 173.10 173.25 3a3i s LEU 249 N -1.66 2.58 0.21 0.66 1.43 -0.42 -4.94 118.68 116.54 3a3i s LEU 249 Ca 0.22 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3a3i s LEU 249 Cb -0.12 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3a3i s LEU 249 CO 0.13 0.27 0.42 -0.44 0.23 0.00 0.00 176.35 176.96 3a3i s SER 250 N -0.31 6.40 0.05 2.29 0.01 -1.26 -0.38 113.70 120.50 3a3i s SER 250 Ca 0.02 0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.69 3a3i s SER 250 Cb -0.13 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 3a3i s SER 250 CO 0.03 -0.07 0.13 -0.36 0.41 0.00 0.00 173.24 173.38 3a3i s PHE 251 N -1.90 0.19 0.18 2.43 0.08 0.12 -4.46 117.98 114.62 3a3i s PHE 251 Ca 0.40 -0.54 -0.26 0.00 0.12 0.00 0.00 56.93 56.65 3a3i s PHE 251 Cb -0.11 -0.13 -0.08 0.00 -0.57 0.00 0.00 43.02 42.13 3a3i s PHE 251 CO 0.29 -0.42 0.80 0.00 -0.10 0.00 0.00 175.22 175.78 3a3i s ALA 252 N -3.06 3.43 0.33 5.36 0.00 0.59 -1.06 121.76 127.35 3a3i s ALA 252 Ca -0.01 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.05 3a3i s ALA 252 Cb 0.01 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 3a3i s ALA 252 CO -0.07 0.28 1.26 0.08 0.00 0.00 0.00 175.76 177.31 3a3i s VAL 253 N -1.18 2.89 -0.24 0.00 1.01 -0.10 -4.86 120.40 117.93 3a3i s VAL 253 Ca 0.37 0.88 -0.12 0.00 0.00 0.00 0.00 61.98 63.11 3a3i s VAL 253 Cb -0.23 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 3a3i s VAL 253 CO 0.27 0.20 -0.31 0.00 0.00 0.00 0.00 175.10 175.25 3a3i n GLN 254 N 0.78 0.51 -3.31 2.72 1.13 -1.26 -4.40 117.38 113.55 3a3i n GLN 254 Ca 0.00 0.22 -0.46 0.00 -1.94 0.00 0.00 57.00 54.83 3a3i n GLN 254 Cb 0.43 -1.36 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 3a3i n GLN 254 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3a3i s ASN 255 N -7.10 6.18 0.13 1.08 3.84 -1.26 -4.92 114.94 112.90 3a3i s ASN 255 Ca -0.33 -1.65 0.14 0.00 0.21 0.00 0.00 52.86 51.23 3a3i s ASN 255 Cb 0.12 -2.21 -0.09 0.00 -0.55 0.00 0.00 41.25 38.52 3a3i s ASN 255 CO 0.42 -0.84 1.08 0.71 -2.79 0.00 0.00 177.10 175.69 3a3i h THR 256 N 5.86 0.84 -0.38 -5.21 1.35 -1.90 -2.21 112.91 111.26 3a3i h THR 256 Ca -0.30 -2.36 -0.05 0.00 -0.55 0.00 0.00 66.41 63.16 3a3i h THR 256 Cb 1.10 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 3a3i h THR 256 CO 1.01 0.48 0.05 0.44 -0.25 0.00 0.00 175.52 177.24 3a3i h ASP 257 N 0.00 0.62 -0.37 5.36 3.32 -1.91 -0.51 116.42 122.93 3a3i h ASP 257 Ca -0.10 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 3a3i h ASP 257 Cb 1.59 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 3a3i h ASP 257 CO 0.07 0.74 -0.17 0.00 -1.72 0.00 0.00 179.24 178.16 3a3i h ALA 258 N 0.91 0.87 -0.06 3.45 0.00 -1.98 -1.11 119.26 121.34 3a3i h ALA 258 Ca 0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3a3i h ALA 258 Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a3i h ALA 258 CO 0.01 0.64 0.02 -0.92 0.00 0.00 0.00 179.25 179.00 3a3i h TYR 259 N 0.75 0.09 0.06 0.00 3.20 -1.35 -1.11 116.97 118.62 3a3i h TYR 259 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3a3i h TYR 259 Cb 0.69 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 3a3i h TYR 259 CO 0.04 0.24 -0.05 0.00 -1.64 0.00 0.00 178.16 176.75 3a3i h ALA 260 N 0.84 -0.11 -0.94 1.82 0.00 -1.00 -1.22 119.26 118.65 3a3i h ALA 260 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3a3i h ALA 260 Cb 0.19 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3a3i h ALA 260 CO -0.00 -0.57 0.59 0.00 0.00 0.00 0.00 179.25 179.27 3a3i h ALA 261 N 0.81 1.31 -0.70 0.00 0.00 -1.14 -1.28 119.26 118.27 3a3i h ALA 261 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3a3i h ALA 261 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3a3i h ALA 261 CO -0.01 0.34 0.15 0.00 0.00 0.00 0.00 179.25 179.73 3a3i h ALA 262 N 1.44 0.92 -0.33 0.00 0.00 -1.04 -2.18 119.26 118.08 3a3i h ALA 262 Ca 0.42 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3a3i h ALA 262 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a3i h ALA 262 CO -0.19 0.66 -0.31 0.82 0.00 0.00 0.00 179.25 180.23 3a3i h ILE 263 N 1.06 1.29 -0.96 0.00 2.04 -0.62 -2.55 117.51 117.77 3a3i h ILE 263 Ca 0.22 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.62 3a3i h ILE 263 Cb 0.39 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3a3i h ILE 263 CO 0.01 0.48 0.63 0.40 0.00 0.00 0.00 178.15 179.67 3a3i h ILE 264 N 0.57 1.21 -0.43 -0.67 2.04 -1.20 -1.07 117.51 117.97 3a3i h ILE 264 Ca 0.06 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 3a3i h ILE 264 Cb 0.89 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3a3i h ILE 264 CO 0.08 0.23 -0.18 1.56 0.00 0.00 0.00 178.15 179.84 3a3i h GLN 265 N 1.26 0.82 -0.16 2.37 4.20 -1.22 0.35 115.11 122.74 3a3i h GLN 265 Ca 0.36 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3a3i h GLN 265 Cb -0.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3a3i h GLN 265 CO -0.09 0.94 -0.28 0.00 -0.67 0.00 0.00 178.83 178.73 3a3i h ARG 266 N 0.73 0.31 -0.18 1.46 3.08 -1.15 -2.46 114.38 116.16 3a3i h ARG 266 Ca 0.11 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3a3i h ARG 266 Cb 0.70 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.74 3a3i h ARG 266 CO 0.05 0.57 -0.73 1.96 -1.07 0.00 0.00 179.97 180.75 3a3i h GLN 267 N 0.27 0.81 0.12 0.04 4.20 -0.40 -1.39 115.11 118.77 3a3i h GLN 267 Ca 0.04 -0.63 -0.00 0.00 0.06 0.00 0.00 58.65 58.12 3a3i h GLN 267 Cb 0.64 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 3a3i h GLN 267 CO 0.05 1.24 -0.09 -0.07 -0.67 0.00 0.00 178.83 179.29 3a3i h LEU 268 N 0.57 -0.22 -0.67 1.46 3.38 -0.82 0.54 115.31 119.54 3a3i h LEU 268 Ca -0.04 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.08 3a3i h LEU 268 Cb 1.35 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 42.05 3a3i h LEU 268 CO 0.15 -0.14 -0.18 0.03 0.09 0.00 0.00 178.44 178.40 3a3i h ARG 269 N -0.21 -0.01 -0.50 1.13 3.08 -1.48 0.19 114.38 116.58 3a3i h ARG 269 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3a3i h ARG 269 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3a3i h ARG 269 CO 0.00 -0.01 0.17 -0.22 -1.07 0.00 0.00 179.97 178.85 3a3i h LYS 270 N -0.01 0.74 0.00 0.04 3.64 -0.34 -0.99 116.57 119.65 3a3i h LYS 270 Ca 0.32 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3a3i h LYS 270 Cb 0.50 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3a3i h LYS 270 CO -0.69 0.63 0.00 1.28 -2.27 0.00 0.00 179.45 178.40 3a3i n LEU 271 N -4.32 0.29 -1.52 5.20 4.77 0.09 -4.87 117.00 116.64 3a3i n LEU 271 Ca 0.04 0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 56.45 3a3i n LEU 271 Cb 0.18 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3a3i n LEU 271 CO 0.38 -0.22 -0.04 0.61 -1.33 0.00 0.00 177.39 176.80 3a3i n GLY 272 N 0.72 0.03 3.69 -0.72 0.00 -0.31 -5.03 105.19 103.57 3a3i n GLY 272 Ca 0.05 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3a3i n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3i s ILE 273 N -2.76 5.05 -0.12 -0.61 1.01 -0.10 -4.86 121.20 118.82 3a3i s ILE 273 Ca 0.11 0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 3a3i s ILE 273 Cb -0.05 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3a3i s ILE 273 CO 0.14 0.47 0.42 -0.70 0.00 0.00 0.00 174.94 175.26 3a3i s GLU 274 N 0.23 4.28 -0.06 2.79 2.12 -0.34 -4.04 118.70 123.67 3a3i s GLU 274 Ca 0.06 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 3a3i s GLU 274 Cb -0.12 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.88 3a3i s GLU 274 CO -0.00 0.23 0.15 0.12 -0.54 0.00 0.00 175.26 175.21 3a3i s PHE 275 N 0.41 -0.16 -0.21 5.30 5.36 -1.26 -0.30 117.98 127.11 3a3i s PHE 275 Ca 0.23 0.43 0.20 0.00 -0.96 0.00 0.00 56.93 56.83 3a3i s PHE 275 Cb -0.15 0.00 0.44 0.00 -0.34 0.00 0.00 43.02 42.97 3a3i s PHE 275 CO 0.09 -0.12 1.20 0.09 -1.46 0.00 0.00 175.22 175.03 3a3i n ASN 276 N 3.51 0.66 -2.69 6.13 3.02 -1.26 -5.07 115.26 119.57 3a3i n ASN 276 Ca -0.18 -2.06 -0.06 0.00 -0.03 0.00 0.00 54.58 52.25 3a3i n ASN 276 Cb 0.56 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.60 3a3i n ASN 276 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3i n GLY 277 N -0.56 1.05 3.97 7.41 0.00 -1.26 -5.06 105.19 110.74 3a3i n GLY 277 Ca -0.01 -2.02 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 3a3i n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a3i s LYS 278 N -2.98 2.90 -0.16 1.61 -2.85 -1.26 -4.83 119.74 112.17 3a3i s LYS 278 Ca 0.17 -0.77 -0.20 0.00 -1.00 0.00 0.00 55.97 54.16 3a3i s LYS 278 Cb -0.01 -2.62 -0.03 0.00 -2.06 0.00 0.00 37.83 33.11 3a3i s LYS 278 CO 0.11 -0.32 0.60 0.08 0.10 0.00 0.00 175.35 175.92 3a3i s VAL 279 N -2.50 5.07 0.07 1.79 1.01 -1.26 -1.20 120.40 123.38 3a3i s VAL 279 Ca 0.51 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.72 3a3i s VAL 279 Cb -0.10 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3a3i s VAL 279 CO 0.36 0.18 -0.19 -0.76 0.00 0.00 0.00 175.10 174.69 3a3i s LEU 280 N 1.46 2.60 -0.54 3.92 1.43 0.28 -4.99 118.68 122.84 3a3i s LEU 280 Ca 0.29 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 3a3i s LEU 280 Cb -0.16 -1.50 0.20 0.00 0.03 0.00 0.00 46.19 44.76 3a3i s LEU 280 CO 0.11 0.23 0.50 0.18 0.23 0.00 0.00 176.35 177.60 3a3i n LEU 281 N 1.30 1.51 -4.76 1.79 4.77 -1.26 -1.43 117.00 118.92 3a3i n LEU 281 Ca -0.16 -4.89 -0.29 0.00 -0.03 0.00 0.00 56.01 50.64 3a3i n LEU 281 Cb 0.52 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.69 3a3i n LEU 281 CO 0.27 1.91 0.70 -2.16 -1.33 0.00 0.00 177.39 176.77 3a3i s PRO 282 N -1.13 1.20 0.00 3.23 0.04 -1.25 -4.98 135.00 132.10 3a3i s PRO 282 Ca 0.32 0.43 0.19 0.00 0.04 0.00 0.00 61.00 61.99 3a3i s PRO 282 Cb 0.06 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 3a3i s PRO 282 CO -0.14 -2.19 0.94 0.94 0.04 0.00 0.00 177.00 176.59 3a3i n GLN 283 N -3.79 1.41 -4.24 4.56 7.27 -1.26 -4.63 117.38 116.71 3a3i n GLN 283 Ca 0.06 -0.79 -0.24 0.00 0.07 0.00 0.00 57.00 56.10 3a3i n GLN 283 Cb 0.58 -1.37 -0.07 0.00 2.41 0.00 0.00 30.24 31.79 3a3i n GLN 283 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3a3i s LYS 284 N -2.24 2.41 0.64 3.69 -0.14 -1.26 -4.53 119.74 118.32 3a3i s LYS 284 Ca 0.15 -1.25 -0.18 0.00 -1.36 0.00 0.00 55.97 53.33 3a3i s LYS 284 Cb 0.15 -2.29 -0.02 0.00 -1.68 0.00 0.00 37.83 34.00 3a3i s LYS 284 CO 0.52 0.41 1.23 -2.30 -0.76 0.00 0.00 175.35 174.44 3a3i n PRO 285 N -0.61 1.05 -3.75 -1.68 -0.02 -1.26 -4.75 135.00 123.98 3a3i n PRO 285 Ca -0.08 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.44 3a3i n PRO 285 Cb 0.57 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 3a3i n PRO 285 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a3i s GLN 286 N -3.27 2.72 -0.26 -0.52 -1.52 -1.26 -5.07 119.66 110.48 3a3i s GLN 286 Ca 0.82 -1.11 -0.38 0.00 -1.95 0.00 0.00 55.36 52.73 3a3i s GLN 286 Cb -0.38 -3.45 -0.14 0.00 -0.22 0.00 0.00 33.01 28.82 3a3i s GLN 286 CO 0.41 -0.62 1.88 1.04 -0.25 0.00 0.00 175.29 177.76 3a3i n GLN 287 N 4.83 1.32 -3.75 2.91 3.00 -1.26 -4.98 117.38 119.45 3a3i n GLN 287 Ca -0.13 0.46 -0.04 0.00 -0.01 0.00 0.00 57.00 57.28 3a3i n GLN 287 Cb 0.45 -2.28 -0.01 0.00 0.00 0.00 0.00 30.24 28.40 3a3i n GLN 287 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3a3i s GLY 288 N 4.56 -0.24 -0.08 1.08 0.00 -1.26 -4.51 107.32 106.87 3a3i s GLY 288 Ca 1.00 0.14 -0.25 0.00 0.00 0.00 0.00 44.72 45.61 3a3i s GLY 288 CO 0.59 0.01 0.79 1.62 0.00 0.00 0.00 173.10 176.12 3a3i s GLN 289 N -3.32 4.43 -0.09 2.90 2.00 -0.44 -4.81 119.66 120.33 3a3i s GLN 289 Ca 0.12 1.02 -0.30 0.00 -2.00 0.00 0.00 55.36 54.20 3a3i s GLN 289 Cb -0.02 -3.48 -0.03 0.00 0.80 0.00 0.00 33.01 30.28 3a3i s GLN 289 CO 0.02 -0.06 1.35 -1.17 -0.50 0.00 0.00 175.29 174.93 3a3i s LEU 290 N 1.18 4.26 -0.21 3.68 2.96 -1.26 -0.94 118.68 128.34 3a3i s LEU 290 Ca 0.41 1.91 0.04 0.00 -0.22 0.00 0.00 54.13 56.26 3a3i s LEU 290 Cb -0.18 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.76 3a3i s LEU 290 CO 0.19 -0.75 -0.00 0.18 -1.32 0.00 0.00 176.35 174.65 3a3i n LEU 291 N 6.14 2.28 -3.54 -0.68 4.77 0.55 -4.96 117.00 121.55 3a3i n LEU 291 Ca 0.14 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 3a3i n LEU 291 Cb 0.44 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3a3i n LEU 291 CO 0.57 0.81 0.64 0.00 -1.33 0.00 0.00 177.39 178.09 3a3i s ALA 292 N -2.53 -1.74 -0.05 -1.18 0.00 -1.08 -4.99 121.76 110.19 3a3i s ALA 292 Ca -0.26 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 3a3i s ALA 292 Cb 0.08 0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.77 3a3i s ALA 292 CO 0.69 -0.78 0.31 0.21 0.00 0.00 0.00 175.76 176.20 3a3i s LYS 293 N -3.28 0.58 0.05 0.00 2.20 -1.26 -1.30 119.74 116.74 3a3i s LYS 293 Ca 0.06 -0.00 0.09 0.00 -0.36 0.00 0.00 55.97 55.76 3a3i s LYS 293 Cb -0.01 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 3a3i s LYS 293 CO -0.07 -0.14 -0.26 -1.58 -0.36 0.00 0.00 175.35 172.94 3a3i s HIS 294 N -0.89 2.24 -0.02 4.03 5.65 0.81 -4.99 115.29 122.12 3a3i s HIS 294 Ca -0.10 -0.40 0.08 0.00 0.25 0.00 0.00 55.06 54.89 3a3i s HIS 294 Cb -0.04 -1.33 -0.02 0.00 -1.18 0.00 0.00 32.58 30.01 3a3i s HIS 294 CO 0.03 0.14 -0.25 -0.51 -0.65 0.00 0.00 174.74 173.50 3a3i s LEU 295 N -1.30 2.05 0.94 8.88 1.43 -1.26 -1.70 118.68 127.72 3a3i s LEU 295 Ca 0.11 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 3a3i s LEU 295 Cb -0.10 -1.31 0.16 0.00 0.03 0.00 0.00 46.19 44.96 3a3i s LEU 295 CO 0.02 0.31 1.16 -0.94 0.23 0.00 0.00 176.35 177.13 3a3i s SER 296 N -0.57 3.28 0.67 2.29 1.04 0.25 -4.96 113.70 115.69 3a3i s SER 296 Ca 0.09 0.84 -0.17 0.00 0.48 0.00 0.00 55.95 57.19 3a3i s SER 296 Cb -0.10 -1.32 -0.09 0.00 0.10 0.00 0.00 66.02 64.61 3a3i s SER 296 CO -0.01 -2.68 0.23 0.29 0.98 0.00 0.00 173.24 172.05 3a3i n LYS 297 N -3.83 0.24 -2.16 4.02 5.02 -1.26 -4.59 118.16 115.59 3a3i n LYS 297 Ca 0.08 0.10 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 3a3i n LYS 297 Cb 0.59 -1.51 0.03 0.00 -0.02 0.00 0.00 35.03 34.12 3a3i n LYS 297 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a3i s PRO 298 N -2.11 3.09 0.20 1.97 0.04 -1.26 -4.44 135.00 132.49 3a3i s PRO 298 Ca 0.61 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 3a3i s PRO 298 Cb -0.39 -2.16 0.37 0.00 0.04 0.00 0.00 34.50 32.36 3a3i s PRO 298 CO 0.62 -0.74 1.09 -0.11 0.04 0.00 0.00 177.00 177.90 3a3i n LEU 299 N -2.72 -0.21 -0.09 -3.56 7.94 0.38 -0.84 117.00 117.90 3a3i n LEU 299 Ca 0.05 1.19 0.04 0.00 -1.11 0.00 0.00 56.01 56.18 3a3i n LEU 299 Cb 0.57 -0.38 0.36 0.00 0.53 0.00 0.00 43.42 44.50 3a3i n LEU 299 CO 0.55 -1.16 1.19 -0.65 -1.11 0.00 0.00 177.39 176.22 3a3i h PRO 300 N 0.00 0.70 -0.16 1.96 0.11 -1.88 -0.22 132.00 132.50 3a3i h PRO 300 Ca 0.36 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.26 3a3i h PRO 300 Cb 0.60 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.56 3a3i h PRO 300 CO -0.70 0.46 -0.53 -0.44 -0.21 0.00 0.00 178.00 176.58 3a3i h ASP 301 N 0.72 0.75 -0.51 -2.05 3.32 -1.35 -2.16 116.42 115.13 3a3i h ASP 301 Ca 0.21 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3a3i h ASP 301 Cb -0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3a3i h ASP 301 CO -0.05 1.22 0.32 -0.07 -1.72 0.00 0.00 179.24 178.93 3a3i h LEU 302 N 0.32 0.60 -0.95 1.55 3.38 -1.33 -2.03 115.31 116.84 3a3i h LEU 302 Ca -0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3a3i h LEU 302 Cb 1.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3a3i h LEU 302 CO 0.11 0.46 0.07 -0.07 0.09 0.00 0.00 178.44 179.11 3a3i h LEU 303 N 0.69 0.80 -0.43 1.67 3.38 -1.10 0.68 115.31 120.99 3a3i h LEU 303 Ca 0.18 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 3a3i h LEU 303 Cb -0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3a3i h LEU 303 CO -0.04 0.82 -0.53 0.50 0.09 0.00 0.00 178.44 179.29 3a3i h LYS 304 N 0.80 0.72 -0.39 1.13 3.64 -1.11 -0.14 116.57 121.20 3a3i h LYS 304 Ca 0.17 -0.44 -0.14 0.00 -1.27 0.00 0.00 60.65 58.97 3a3i h LYS 304 Cb 0.38 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3a3i h LYS 304 CO 0.01 1.06 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.74 3a3i h LYS 305 N 0.56 0.86 0.10 1.90 3.64 -1.14 -0.29 116.57 122.20 3a3i h LYS 305 Ca 0.02 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 3a3i h LYS 305 Cb 1.10 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3a3i h LYS 305 CO 0.11 1.03 -0.05 1.98 -2.27 0.00 0.00 179.45 180.25 3a3i h MET 306 N 0.72 -0.13 -0.38 1.90 4.05 -0.60 -1.10 114.93 119.39 3a3i h MET 306 Ca 0.08 0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.35 3a3i h MET 306 Cb 0.85 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 3a3i h MET 306 CO 0.07 -0.07 -0.40 0.52 0.23 0.00 0.00 176.91 177.27 3a3i h MET 307 N -0.16 0.94 -0.08 0.39 2.86 -1.00 0.47 114.93 118.36 3a3i h MET 307 Ca -0.01 -0.50 -0.15 0.00 -2.06 0.00 0.00 59.70 56.97 3a3i h MET 307 Cb 0.13 0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.81 3a3i h MET 307 CO 0.02 1.16 -0.55 0.87 1.06 0.00 0.00 176.91 179.47 3a3i h LYS 308 N 0.76 0.51 0.00 1.72 1.79 -1.00 -3.37 116.57 116.99 3a3i h LYS 308 Ca 0.06 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3a3i h LYS 308 Cb 0.99 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3a3i h LYS 308 CO 0.10 1.08 -1.22 1.63 -1.08 0.00 0.00 179.45 179.96 3a3i n LYS 309 N -4.20 1.26 -2.24 3.15 5.02 -0.42 -1.94 118.16 118.78 3a3i n LYS 309 Ca -0.09 -0.07 -0.03 0.00 -2.02 0.00 0.00 58.31 56.10 3a3i n LYS 309 Cb 0.63 -1.28 0.02 0.00 -0.02 0.00 0.00 35.03 34.38 3a3i n LYS 309 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a3i n SER 310 N -1.71 -4.33 -4.51 4.39 2.88 0.16 -4.87 113.62 105.64 3a3i n SER 310 Ca -0.00 -0.18 -0.43 0.00 -1.33 0.00 0.00 58.87 56.93 3a3i n SER 310 Cb 0.32 -2.76 -0.06 0.00 -0.75 0.00 0.00 64.21 60.96 3a3i n SER 310 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3a3i s ASP 311 N -2.83 6.32 0.24 -3.46 -1.08 -1.12 -4.92 116.67 109.83 3a3i s ASP 311 Ca 0.11 -0.44 -0.05 0.00 -0.52 0.00 0.00 52.55 51.65 3a3i s ASP 311 Cb -0.01 -2.35 0.34 0.00 -1.46 0.00 0.00 42.92 39.44 3a3i s ASP 311 CO 0.33 -0.93 1.85 0.78 0.52 0.00 0.00 175.17 177.73 3a3i h ASN 312 N 9.02 0.84 -0.04 -0.34 -0.26 -1.92 -2.49 115.58 120.39 3a3i h ASN 312 Ca -0.26 0.02 -0.17 0.00 -0.56 0.00 0.00 56.30 55.33 3a3i h ASN 312 Cb 1.09 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.19 3a3i h ASN 312 CO 0.96 0.54 -0.56 1.56 -1.06 0.00 0.00 177.43 178.88 3a3i h GLN 313 N 0.98 0.63 -0.57 0.81 7.50 -1.87 -1.44 115.11 121.14 3a3i h GLN 313 Ca 0.38 -0.40 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 3a3i h GLN 313 Cb 0.18 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.73 3a3i h GLN 313 CO -0.18 1.02 0.25 0.82 -1.50 0.00 0.00 178.83 179.24 3a3i h ILE 314 N 0.48 1.22 -0.09 2.54 2.04 -1.83 -0.52 117.51 121.35 3a3i h ILE 314 Ca 0.01 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3a3i h ILE 314 Cb 1.12 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3a3i h ILE 314 CO 0.11 0.25 0.06 0.00 0.00 0.00 0.00 178.15 178.57 3a3i h ALA 315 N 1.09 0.11 -0.03 1.87 0.00 -1.26 -0.12 119.26 120.93 3a3i h ALA 315 Ca 0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3a3i h ALA 315 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3a3i h ALA 315 CO -0.02 -0.39 -0.55 -0.44 0.00 0.00 0.00 179.25 177.85 3a3i h ASP 316 N 0.10 0.08 -0.05 0.00 3.32 -1.15 -1.34 116.42 117.39 3a3i h ASP 316 Ca 0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3a3i h ASP 316 Cb 0.01 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3a3i h ASP 316 CO -0.01 0.62 0.01 0.28 -1.72 0.00 0.00 179.24 178.42 3a3i h SER 317 N 0.06 0.07 -0.95 6.45 0.02 -0.90 -2.51 113.55 115.80 3a3i h SER 317 Ca -0.00 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3a3i h SER 317 Cb 0.99 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 3a3i h SER 317 CO 0.08 0.31 0.62 -0.07 -1.14 0.00 0.00 176.83 176.63 3a3i h LEU 318 N -0.16 1.03 -0.33 5.07 3.38 -0.92 0.28 115.31 123.65 3a3i h LEU 318 Ca 0.01 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3a3i h LEU 318 Cb 0.27 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3a3i h LEU 318 CO 0.00 0.70 0.07 0.15 0.09 0.00 0.00 178.44 179.45 3a3i h PHE 319 N 1.19 0.12 0.00 1.13 3.57 -1.07 0.49 116.94 122.38 3a3i h PHE 319 Ca 0.38 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.74 3a3i h PHE 319 Cb 0.01 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3a3i h PHE 319 CO -0.00 0.03 -0.90 0.00 -2.23 0.00 0.00 178.31 175.21 3a3i h ARG 320 N 0.19 0.00 -0.37 1.11 3.08 -1.05 -3.01 114.38 114.33 3a3i h ARG 320 Ca 0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3a3i h ARG 320 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3a3i h ARG 320 CO -0.20 0.58 0.10 0.00 -1.07 0.00 0.00 179.97 179.39 3a3i h ALA 321 N 1.32 1.49 0.31 0.04 0.00 0.43 0.26 119.26 123.11 3a3i h ALA 321 Ca -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3a3i h ALA 321 Cb 1.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3a3i h ALA 321 CO 0.08 0.38 -0.15 0.28 0.00 0.00 0.00 179.25 179.85 3a3i h VAL 322 N 0.54 0.71 -0.56 0.00 2.07 -0.02 -1.89 116.25 117.09 3a3i h VAL 322 Ca 0.13 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3a3i h VAL 322 Cb 0.18 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3a3i h VAL 322 CO -0.01 0.02 0.34 0.00 0.02 0.00 0.00 177.57 177.94 3a3i h ALA 323 N 0.23 0.73 -0.40 1.67 0.00 -1.33 0.16 119.26 120.33 3a3i h ALA 323 Ca -0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3a3i h ALA 323 Cb 0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3a3i h ALA 323 CO 0.07 0.05 0.13 0.35 0.00 0.00 0.00 179.25 179.85 3a3i h PHE 324 N 0.66 0.22 -0.00 0.00 3.57 -0.31 0.07 116.94 121.15 3a3i h PHE 324 Ca 0.23 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.54 3a3i h PHE 324 Cb 0.04 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3a3i h PHE 324 CO -0.06 0.08 -0.91 -0.91 -2.23 0.00 0.00 178.31 174.27 3a3i h ASN 325 N 0.28 0.45 -0.26 0.41 4.21 -0.95 0.54 115.58 120.26 3a3i h ASN 325 Ca 0.18 -0.36 -0.13 0.00 1.21 0.00 0.00 56.30 57.20 3a3i h ASN 325 Cb 0.18 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3a3i h ASN 325 CO -0.20 1.16 -0.36 0.22 -1.29 0.00 0.00 177.43 176.96 3a3i h TYR 326 N 0.20 0.86 -0.01 1.19 3.20 -0.43 -3.23 116.97 118.74 3a3i h TYR 326 Ca -0.07 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3a3i h TYR 326 Cb 1.55 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.65 3a3i h TYR 326 CO 0.05 1.04 -0.65 0.66 -1.64 0.00 0.00 178.16 177.63 3a3i n TYR 327 N -4.22 0.00 -3.83 -3.82 4.01 -0.01 -4.98 117.16 104.30 3a3i n TYR 327 Ca -0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 3a3i n TYR 327 Cb 0.51 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 3a3i n TYR 327 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3a3i n LYS 328 N -0.82 -5.21 -3.72 -0.72 4.76 0.17 -5.00 118.16 107.62 3a3i n LYS 328 Ca 0.07 0.60 -0.10 0.00 -2.87 0.00 0.00 58.31 56.01 3a3i n LYS 328 Cb 0.39 -5.33 -0.06 0.00 -1.84 0.00 0.00 35.03 28.19 3a3i n LYS 328 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3a3i s ARG 329 N -6.37 0.97 0.45 1.97 1.70 -1.18 -5.06 118.95 111.42 3a3i s ARG 329 Ca 0.38 -0.76 -0.24 0.00 -0.47 0.00 0.00 55.73 54.64 3a3i s ARG 329 Cb -0.19 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 3a3i s ARG 329 CO 0.83 -0.35 1.25 -2.30 -1.08 0.00 0.00 175.30 173.64 3a3i n PRO 330 N -0.08 1.81 -3.94 3.89 -0.02 -1.26 -4.34 135.00 131.06 3a3i n PRO 330 Ca -0.16 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 3a3i n PRO 330 Cb 0.63 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 3a3i n PRO 330 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3i s ALA 331 N -1.23 2.73 0.53 3.55 0.00 -0.38 -4.73 121.76 122.23 3a3i s ALA 331 Ca 0.63 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3a3i s ALA 331 Cb -0.49 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 20.97 3a3i s ALA 331 CO 0.56 -0.59 0.78 -1.54 0.00 0.00 0.00 175.76 174.97 3a3i s SER 332 N 1.40 5.55 0.44 0.00 1.04 -1.24 -1.03 113.70 119.86 3a3i s SER 332 Ca 0.03 0.32 0.17 0.00 0.48 0.00 0.00 55.95 56.95 3a3i s SER 332 Cb -0.15 -1.36 1.09 0.00 0.10 0.00 0.00 66.02 65.69 3a3i s SER 332 CO -0.04 -0.97 1.93 -0.26 0.98 0.00 0.00 173.24 174.87 3a3i h PHE 333 N 0.10 0.43 -0.40 5.02 0.04 -1.82 -1.75 116.94 118.56 3a3i h PHE 333 Ca -0.45 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.29 3a3i h PHE 333 Cb 1.27 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 3a3i h PHE 333 CO 0.43 0.17 0.05 1.96 -0.60 0.00 0.00 178.31 180.32 3a3i h GLN 334 N 0.37 0.67 -0.80 1.51 7.50 -1.94 -0.43 115.11 121.98 3a3i h GLN 334 Ca 0.35 -0.18 0.03 0.00 0.50 0.00 0.00 58.65 59.35 3a3i h GLN 334 Cb 0.85 -0.07 -0.05 0.00 0.05 0.00 0.00 27.48 28.25 3a3i h GLN 334 CO -0.10 0.72 0.51 1.25 -1.50 0.00 0.00 178.83 179.71 3a3i h LEU 335 N 0.51 0.85 -0.40 1.46 5.85 -1.84 -2.06 115.31 119.68 3a3i h LEU 335 Ca 0.12 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3a3i h LEU 335 Cb 0.39 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 3a3i h LEU 335 CO 0.01 0.58 -0.19 1.23 -0.34 0.00 0.00 178.44 179.73 3a3i h GLY 336 N 1.00 0.11 0.29 3.75 0.00 -0.70 -0.68 103.07 106.83 3a3i h GLY 336 Ca 0.32 0.24 0.09 0.00 0.00 0.00 0.00 47.33 47.98 3a3i h GLY 336 CO -0.12 -0.19 0.08 -0.84 0.00 0.00 0.00 176.54 175.47 3a3i h THR 337 N -0.11 0.68 -0.30 4.70 2.02 -0.84 -0.93 112.91 118.13 3a3i h THR 337 Ca 0.20 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 3a3i h THR 337 Cb 0.42 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3a3i h THR 337 CO -0.47 0.04 0.10 0.25 0.37 0.00 0.00 175.52 175.81 3a3i h LEU 338 N 0.21 0.42 -0.22 2.58 5.85 -0.87 -2.36 115.31 120.92 3a3i h LEU 338 Ca 0.26 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3a3i h LEU 338 Cb 0.36 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3a3i h LEU 338 CO -0.36 0.50 0.10 0.00 -0.34 0.00 0.00 178.44 178.34 3a3i h ALA 339 N 0.94 0.28 -0.68 1.25 0.00 -0.84 -0.44 119.26 119.76 3a3i h ALA 339 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3a3i h ALA 339 Cb 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3a3i h ALA 339 CO -0.01 -0.16 0.20 0.28 0.00 0.00 0.00 179.25 179.57 3a3i h VAL 340 N 0.21 1.26 -0.36 0.00 2.07 -1.08 0.34 116.25 118.69 3a3i h VAL 340 Ca 0.07 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3a3i h VAL 340 Cb 0.13 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3a3i h VAL 340 CO -0.01 0.35 -0.05 0.11 0.02 0.00 0.00 177.57 177.98 3a3i h LYS 341 N 1.01 0.66 -0.73 1.57 1.57 -1.30 -1.79 116.57 117.57 3a3i h LYS 341 Ca 0.22 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3a3i h LYS 341 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3a3i h LYS 341 CO -0.00 0.81 0.21 1.03 -0.57 0.00 0.00 179.45 180.92 3a3i h SER 342 N 0.46 1.07 -0.25 0.86 0.87 -0.66 0.36 113.55 116.26 3a3i h SER 342 Ca 0.09 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 3a3i h SER 342 Cb 0.54 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3a3i h SER 342 CO 0.03 1.00 0.02 0.40 -0.53 0.00 0.00 176.83 177.75 3a3i h ILE 343 N 1.09 1.24 -0.13 2.23 2.04 -0.82 -1.91 117.51 121.25 3a3i h ILE 343 Ca 0.23 -0.83 -0.20 0.00 1.00 0.00 0.00 64.86 65.06 3a3i h ILE 343 Cb 0.33 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3a3i h ILE 343 CO -0.00 0.26 -0.74 -0.07 0.00 0.00 0.00 178.15 177.60 3a3i h LEU 344 N 0.22 0.73 -0.61 1.44 3.38 -1.22 -3.01 115.31 116.24 3a3i h LEU 344 Ca 0.07 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.69 3a3i h LEU 344 Cb 0.37 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3a3i h LEU 344 CO 0.01 1.24 0.11 1.56 0.09 0.00 0.00 178.44 181.45 3a3i h GLN 345 N 0.43 0.23 -0.96 1.13 4.20 -0.94 0.43 115.11 119.63 3a3i h GLN 345 Ca -0.04 -0.01 0.27 0.00 0.06 0.00 0.00 58.65 58.93 3a3i h GLN 345 Cb 1.34 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.02 3a3i h GLN 345 CO 0.14 0.15 0.69 0.87 -0.67 0.00 0.00 178.83 180.01 3a3i h LYS 346 N 0.24 0.04 -0.46 1.46 1.57 -1.21 0.84 116.57 119.05 3a3i h LYS 346 Ca 0.32 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3a3i h LYS 346 Cb 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3a3i h LYS 346 CO -0.43 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 179.52 3a3i n GLN 347 N -4.28 2.24 0.00 3.15 1.13 0.08 -4.92 117.38 114.78 3a3i n GLN 347 Ca 0.20 -1.90 0.00 0.00 -1.94 0.00 0.00 57.00 53.36 3a3i n GLN 347 Cb 1.00 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.91 3a3i n GLN 347 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a3i n GLY 348 N 1.37 0.39 3.74 1.08 0.00 0.29 -5.06 105.19 107.00 3a3i n GLY 348 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3a3i n GLY 348 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3i s ILE 349 N -2.00 3.68 -0.09 -0.61 -1.09 -0.80 -4.96 121.20 115.33 3a3i s ILE 349 Ca 0.00 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.93 3a3i s ILE 349 Cb 0.00 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 3a3i s ILE 349 CO 0.00 0.26 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.65 3a3i s ARG 350 N -0.49 2.92 -0.02 2.79 0.52 -1.26 -3.82 118.95 119.58 3a3i s ARG 350 Ca 0.50 -0.80 0.22 0.00 -0.52 0.00 0.00 55.73 55.12 3a3i s ARG 350 Cb -0.31 -2.37 -0.31 0.00 0.52 0.00 0.00 34.95 32.49 3a3i s ARG 350 CO 0.37 0.32 0.58 1.19 0.02 0.00 0.00 175.30 177.78 3a3i n PHE 351 N 3.17 0.02 -0.39 -0.53 3.72 -1.26 -4.92 117.46 117.26 3a3i n PHE 351 Ca -0.18 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3a3i n PHE 351 Cb 0.52 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3a3i n PHE 351 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a3i n GLY 352 N 1.31 3.16 1.93 1.37 0.00 -1.26 -1.32 105.19 110.39 3a3i n GLY 352 Ca -0.02 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3a3i n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a3i n ASN 353 N 3.22 3.73 -4.58 1.61 5.03 -1.26 -4.99 115.26 118.02 3a3i n ASN 353 Ca 0.00 -3.68 -0.38 0.00 0.87 0.00 0.00 54.58 51.38 3a3i n ASN 353 Cb 0.00 -0.78 0.04 0.00 -1.02 0.00 0.00 39.78 38.02 3a3i n ASN 353 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3a3i n SER 354 N -1.12 0.36 -4.35 6.41 7.64 -0.43 -5.00 113.62 117.14 3a3i n SER 354 Ca 0.52 0.81 -0.36 0.00 1.01 0.00 0.00 58.87 60.86 3a3i n SER 354 Cb 1.39 -1.33 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 3a3i n SER 354 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3a3i s ILE 355 N -1.54 3.67 -0.47 0.44 -1.09 -0.25 -4.95 121.20 117.01 3a3i s ILE 355 Ca 0.73 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 3a3i s ILE 355 Cb -0.44 -2.70 0.12 0.00 -1.58 0.00 0.00 42.46 37.87 3a3i s ILE 355 CO 0.50 0.38 0.22 -0.76 -1.23 0.00 0.00 174.94 174.05 3a3i s LEU 356 N 1.52 4.76 0.21 2.97 1.02 -1.26 -1.76 118.68 126.14 3a3i s LEU 356 Ca 0.06 -2.59 0.23 0.00 0.02 0.00 0.00 54.13 51.85 3a3i s LEU 356 Cb -0.15 -1.71 0.24 0.00 0.02 0.00 0.00 46.19 44.59 3a3i s LEU 356 CO -0.01 -0.35 1.29 0.00 0.02 0.00 0.00 176.35 177.30 3a3i h ALA 357 N 7.15 0.65 -2.93 4.21 0.00 -1.91 -3.42 119.26 123.01 3a3i h ALA 357 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3a3i h ALA 357 Cb 0.96 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3a3i h ALA 357 CO 0.65 0.00 -0.05 0.16 0.00 0.00 0.00 179.25 180.01 3a3i s ASP 358 N -5.05 0.44 0.00 0.00 1.47 -1.26 -4.56 116.67 107.73 3a3i s ASP 358 Ca 0.04 -1.26 0.22 0.00 1.18 0.00 0.00 52.55 52.73 3a3i s ASP 358 Cb 0.10 0.70 -0.22 0.00 -0.34 0.00 0.00 42.92 43.16 3a3i s ASP 358 CO 0.73 -1.37 0.73 0.61 0.68 0.00 0.00 175.17 176.55 3a3i n GLY 359 N -0.52 -1.06 0.09 2.12 0.00 -1.26 -4.39 105.19 100.17 3a3i n GLY 359 Ca -0.02 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.61 3a3i n GLY 359 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a3i n SER 360 N -2.01 0.73 0.00 1.61 3.41 -1.26 -3.59 113.62 112.51 3a3i n SER 360 Ca -0.00 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3a3i n SER 360 Cb 0.48 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 3a3i n SER 360 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a3i n GLY 361 N 1.22 0.72 0.19 5.00 0.00 -1.26 -3.78 105.19 107.28 3a3i n GLY 361 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3a3i n GLY 361 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a3i h LEU 362 N 0.00 0.00 -9.80 0.99 3.38 -1.93 -3.34 115.31 104.62 3a3i h LEU 362 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3a3i h LEU 362 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 3a3i h LEU 362 CO 0.00 0.36 0.66 -0.55 0.09 0.00 0.00 178.44 179.00 3a3i s SER 363 N -6.49 6.81 0.00 -0.43 0.15 -1.26 -4.75 113.70 107.72 3a3i s SER 363 Ca -0.01 2.59 0.26 0.00 0.70 0.00 0.00 55.95 59.49 3a3i s SER 363 Cb 0.12 -2.63 1.33 0.00 -1.71 0.00 0.00 66.02 63.12 3a3i s SER 363 CO 0.68 -0.55 1.87 0.54 1.20 0.00 0.00 173.24 176.99 3a3i n ARG 364 N 1.62 0.43 0.00 5.44 5.12 -0.14 -2.82 116.66 126.31 3a3i n ARG 364 Ca 0.03 0.04 0.13 0.00 -1.93 0.00 0.00 57.85 56.11 3a3i n ARG 364 Cb 0.42 -1.50 0.36 0.00 -1.16 0.00 0.00 32.46 30.58 3a3i n ARG 364 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3a3i n HIS 365 N -1.24 0.00 -1.91 -1.55 8.25 -1.26 -4.96 115.22 112.54 3a3i n HIS 365 Ca 0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.19 3a3i n HIS 365 Cb 0.19 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3a3i n HIS 365 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3a3i s ASN 366 N -2.98 6.14 -0.18 0.41 0.01 -1.13 -4.75 114.94 112.47 3a3i s ASN 366 Ca 0.13 2.82 -0.04 0.00 -0.71 0.00 0.00 52.86 55.05 3a3i s ASN 366 Cb 0.18 -2.65 0.09 0.00 0.41 0.00 0.00 41.25 39.28 3a3i s ASN 366 CO 0.65 -0.98 0.27 -0.76 -1.51 0.00 0.00 177.10 174.76 3a3i s LEU 367 N -2.49 -0.29 -0.03 0.60 1.43 -0.72 -4.40 118.68 112.77 3a3i s LEU 367 Ca 0.58 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 3a3i s LEU 367 Cb -0.42 0.66 0.01 0.00 0.03 0.00 0.00 46.19 46.47 3a3i s LEU 367 CO 0.54 -0.28 0.11 -0.69 0.23 0.00 0.00 176.35 176.25 3a3i s VAL 368 N 2.41 0.01 0.20 -1.59 1.01 -0.56 -1.10 120.40 120.78 3a3i s VAL 368 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 3a3i s VAL 368 Cb -0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.99 3a3i s VAL 368 CO -0.11 -0.06 0.46 0.00 0.00 0.00 0.00 175.10 175.39 3a3i s ALA 369 N -0.15 3.70 0.29 5.51 0.00 -1.26 -0.82 121.76 129.03 3a3i s ALA 369 Ca -0.02 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3a3i s ALA 369 Cb -0.02 -2.24 0.73 0.00 0.00 0.00 0.00 23.12 21.58 3a3i s ALA 369 CO 0.00 0.54 1.72 -1.35 0.00 0.00 0.00 175.76 176.67 3a3i h PRO 370 N 2.50 0.49 0.00 0.00 0.11 -1.72 -1.17 132.00 132.21 3a3i h PRO 370 Ca -0.47 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3a3i h PRO 370 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3a3i h PRO 370 CO 0.70 0.32 -0.33 1.57 -0.21 0.00 0.00 178.00 180.06 3a3i h LYS 371 N 0.50 0.00 -0.20 1.05 2.10 -1.67 -0.32 116.57 118.03 3a3i h LYS 371 Ca 0.56 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.08 3a3i h LYS 371 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 3a3i h LYS 371 CO -0.48 0.33 -0.38 1.15 -2.00 0.00 0.00 179.45 178.07 3a3i h THR 372 N 0.00 1.33 -0.91 0.07 2.02 -1.49 -1.09 112.91 112.84 3a3i h THR 372 Ca -0.00 -1.61 0.04 0.00 0.77 0.00 0.00 66.41 65.61 3a3i h THR 372 Cb 0.63 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.83 3a3i h THR 372 CO 0.04 0.50 0.59 -0.03 0.37 0.00 0.00 175.52 176.99 3a3i h MET 373 N 0.30 1.09 -0.47 6.66 1.85 -1.28 -2.53 114.93 120.54 3a3i h MET 373 Ca 0.01 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 3a3i h MET 373 Cb 0.98 -0.25 -0.02 0.00 0.43 0.00 0.00 31.60 32.74 3a3i h MET 373 CO 0.09 0.72 0.26 1.25 -0.40 0.00 0.00 176.91 178.83 3a3i h LEU 374 N 1.12 0.59 -1.69 3.39 5.85 -0.89 -0.64 115.31 123.05 3a3i h LEU 374 Ca 0.37 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.07 3a3i h LEU 374 Cb 0.04 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3a3i h LEU 374 CO -0.13 0.51 0.33 0.77 -0.34 0.00 0.00 178.44 179.58 3a3i h SER 375 N 0.62 0.33 -0.12 1.25 4.64 -0.77 -0.77 113.55 118.74 3a3i h SER 375 Ca 0.17 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.29 3a3i h SER 375 Cb 0.05 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3a3i h SER 375 CO -0.03 0.21 -0.68 0.58 -0.87 0.00 0.00 176.83 176.05 3a3i h VAL 376 N 0.38 1.29 -0.69 0.95 2.07 -0.95 -0.74 116.25 118.56 3a3i h VAL 376 Ca 0.22 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.85 3a3i h VAL 376 Cb 0.38 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3a3i h VAL 376 CO -0.05 0.60 0.46 -0.07 0.02 0.00 0.00 177.57 178.52 3a3i h LEU 377 N 0.54 0.77 -0.26 2.57 3.38 -0.42 0.18 115.31 122.09 3a3i h LEU 377 Ca -0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3a3i h LEU 377 Cb 1.28 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3a3i h LEU 377 CO 0.14 0.56 -0.25 -0.33 0.09 0.00 0.00 178.44 178.65 3a3i h GLU 378 N 0.91 0.62 -0.84 1.13 5.08 -0.82 -0.75 114.58 119.92 3a3i h GLU 378 Ca 0.26 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3a3i h GLU 378 Cb -0.08 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 3a3i h GLU 378 CO -0.06 0.92 0.53 -0.92 -1.00 0.00 0.00 179.01 178.48 3a3i h TYR 379 N 0.34 0.99 -0.29 4.33 3.20 -0.56 -0.20 116.97 124.77 3a3i h TYR 379 Ca 0.04 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3a3i h TYR 379 Cb 0.81 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3a3i h TYR 379 CO 0.07 0.55 0.16 0.82 -1.64 0.00 0.00 178.16 178.12 3a3i h ILE 380 N 1.01 1.01 -0.28 1.81 2.04 -0.40 -1.34 117.51 121.36 3a3i h ILE 380 Ca 0.34 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.99 3a3i h ILE 380 Cb 0.06 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3a3i h ILE 380 CO -0.13 0.06 -0.19 0.00 0.00 0.00 0.00 178.15 177.88 3a3i h ALA 381 N 1.14 0.41 -0.83 1.87 0.00 -0.55 -2.34 119.26 118.96 3a3i h ALA 381 Ca 0.12 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3a3i h ALA 381 Cb 0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3a3i h ALA 381 CO -0.07 0.34 0.44 -0.22 0.00 0.00 0.00 179.25 179.74 3a3i h LYS 382 N 0.37 0.64 -0.56 0.00 1.63 -1.02 -2.99 116.57 114.65 3a3i h LYS 382 Ca 0.06 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.63 3a3i h LYS 382 Cb 0.73 -0.15 -0.11 0.00 -0.60 0.00 0.00 32.23 32.11 3a3i h LYS 382 CO 0.05 0.43 0.16 0.09 -3.45 0.00 0.00 179.45 176.73 3a3i n ASN 383 N -4.84 3.98 -0.28 4.20 3.02 -0.51 -4.64 115.26 116.19 3a3i n ASN 383 Ca 0.15 -3.34 0.02 0.00 -0.03 0.00 0.00 54.58 51.39 3a3i n ASN 383 Cb 0.37 -0.68 0.23 0.00 -0.61 0.00 0.00 39.78 39.09 3a3i n ASN 383 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3a3i h GLU 384 N 1.94 1.03 -0.32 3.52 4.57 -1.27 0.74 114.58 124.79 3a3i h GLU 384 Ca 0.23 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.40 3a3i h GLU 384 Cb 2.03 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 30.37 3a3i h GLU 384 CO 0.57 0.68 0.22 0.22 -1.18 0.00 0.00 179.01 179.52 3a3i h ASP 385 N 1.06 0.14 0.09 1.04 3.58 -1.86 -0.61 116.42 119.88 3a3i h ASP 385 Ca 0.35 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.47 3a3i h ASP 385 Cb 0.05 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3a3i h ASP 385 CO -0.11 0.10 -1.78 0.11 -2.88 0.00 0.00 179.24 174.67 3a3i h LYS 386 N 0.17 0.20 0.00 0.28 6.56 -1.64 -3.42 116.57 118.72 3a3i h LYS 386 Ca 0.14 -0.34 -0.31 0.00 -1.06 0.00 0.00 60.65 59.09 3a3i h LYS 386 Cb 0.36 0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.09 3a3i h LYS 386 CO -0.02 1.16 -1.90 1.28 -2.06 0.00 0.00 179.45 177.91 3a3i n LEU 387 N -3.75 0.61 -4.09 2.94 4.77 0.15 -4.97 117.00 112.65 3a3i n LEU 387 Ca -0.32 0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 3a3i n LEU 387 Cb 0.95 0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 42.26 3a3i n LEU 387 CO 0.37 0.41 -0.27 1.41 -1.33 0.00 0.00 177.39 177.98 3a3i n HIS 388 N -2.94 -1.55 0.58 -1.77 8.25 -0.27 -4.88 115.22 112.63 3a3i n HIS 388 Ca -0.21 0.72 0.11 0.00 -0.26 0.00 0.00 57.72 58.08 3a3i n HIS 388 Cb 1.07 -3.36 0.04 0.00 1.12 0.00 0.00 29.99 28.86 3a3i n HIS 388 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3a3i n LEU 389 N -4.44 0.62 -0.32 2.41 4.77 -1.26 -4.35 117.00 114.43 3a3i n LEU 389 Ca -0.25 0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.71 3a3i n LEU 389 Cb 0.66 -0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.78 3a3i n LEU 389 CO 0.80 0.03 1.24 0.24 -1.33 0.00 0.00 177.39 178.37 3a3i h MET 390 N 0.00 1.21 0.00 3.23 2.86 -1.90 -1.02 114.93 119.32 3a3i h MET 390 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3a3i h MET 390 Cb 0.73 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3a3i h MET 390 CO 0.00 0.83 0.00 -0.85 1.06 0.00 0.00 176.91 177.95 3a3i n GLU 391 N -4.37 0.11 0.17 1.72 0.28 -1.26 -2.51 120.64 114.77 3a3i n GLU 391 Ca 0.10 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.66 3a3i n GLU 391 Cb 0.05 -1.74 0.27 0.00 1.43 0.00 0.00 31.44 31.44 3a3i n GLU 391 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3a3i h THR 392 N 0.00 0.00 -3.82 3.84 1.35 -1.43 -3.47 112.91 109.38 3a3i h THR 392 Ca 0.00 -0.78 -0.50 0.00 -0.55 0.00 0.00 66.41 64.57 3a3i h THR 392 Cb 0.21 1.78 0.02 0.00 -1.73 0.00 0.00 68.15 68.43 3a3i h THR 392 CO 0.00 0.00 0.47 -0.36 -0.25 0.00 0.00 175.52 175.38 3a3i s PHE 393 N -3.17 3.54 0.79 4.73 0.08 -1.04 -3.29 117.98 119.63 3a3i s PHE 393 Ca 0.08 1.70 -0.14 0.00 0.12 0.00 0.00 56.93 58.69 3a3i s PHE 393 Cb 0.08 -3.27 0.05 0.00 -0.57 0.00 0.00 43.02 39.31 3a3i s PHE 393 CO 0.64 -0.56 1.04 -2.30 -0.10 0.00 0.00 175.22 173.94 3a3i n PRO 394 N 1.04 0.25 -4.56 0.24 -0.02 -1.25 -4.75 135.00 125.96 3a3i n PRO 394 Ca -0.00 0.15 -0.25 0.00 -2.02 0.00 0.00 63.50 61.38 3a3i n PRO 394 Cb 0.45 -2.30 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 3a3i n PRO 394 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a3i s ILE 395 N -2.04 1.18 0.07 4.25 1.01 -1.17 -1.76 121.20 122.74 3a3i s ILE 395 Ca 0.72 -0.50 -0.33 0.00 0.00 0.00 0.00 60.65 60.54 3a3i s ILE 395 Cb -0.30 -1.08 -0.12 0.00 0.01 0.00 0.00 42.46 40.96 3a3i s ILE 395 CO 0.52 0.37 1.79 0.00 0.00 0.00 0.00 174.94 177.62 3a3i n ALA 396 N 3.90 1.55 -0.57 9.38 0.00 -0.23 -0.27 120.51 134.27 3a3i n ALA 396 Ca -0.22 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3a3i n ALA 396 Cb 0.52 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3a3i n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a3i n GLY 397 N 4.08 1.84 0.88 0.00 0.00 -0.96 0.59 105.19 111.61 3a3i n GLY 397 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 3a3i n GLY 397 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a3i n VAL 398 N -2.00 0.96 -4.14 1.61 0.31 0.63 -4.86 118.33 110.85 3a3i n VAL 398 Ca 0.00 0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 64.48 3a3i n VAL 398 Cb 0.00 -1.56 -0.05 0.00 -0.91 0.00 0.00 33.84 31.32 3a3i n VAL 398 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3a3i n ASP 399 N -3.37 -0.71 0.00 4.52 5.68 -0.52 -4.78 116.55 117.37 3a3i n ASP 399 Ca -0.02 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 3a3i n ASP 399 Cb 0.06 1.52 0.00 0.00 -1.14 0.00 0.00 41.12 41.56 3a3i n ASP 399 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a3i n GLY 400 N -0.48 0.62 0.13 6.12 0.00 -1.26 -2.63 105.19 107.69 3a3i n GLY 400 Ca 0.04 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.41 3a3i n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a3i n THR 401 N 0.00 0.01 -0.88 2.61 -2.24 -0.82 -3.11 114.28 109.85 3a3i n THR 401 Ca 0.00 -0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 3a3i n THR 401 Cb 0.00 -0.22 0.17 0.00 -2.10 0.00 0.00 70.33 68.18 3a3i n THR 401 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3a3i n ILE 402 N -0.67 1.87 0.31 2.28 -5.35 -1.20 -4.68 119.36 111.92 3a3i n ILE 402 Ca 0.22 -1.93 0.18 0.00 -0.27 0.00 0.00 62.75 60.96 3a3i n ILE 402 Cb 0.17 -0.12 1.01 0.00 -1.74 0.00 0.00 39.64 38.96 3a3i n ILE 402 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3a3i h SER 403 N 0.74 0.00 0.00 7.28 4.64 -1.44 -2.46 113.55 122.30 3a3i h SER 403 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a3i h SER 403 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3a3i h SER 403 CO 0.08 0.02 -0.22 0.61 -0.87 0.00 0.00 176.83 176.45 3a3i n GLY 404 N -1.02 2.82 3.64 -0.77 0.00 -1.26 -3.60 105.19 105.00 3a3i n GLY 404 Ca -0.03 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3a3i n GLY 404 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a3i s ARG 405 N -1.55 3.87 0.29 1.61 6.06 -1.01 -4.88 118.95 123.35 3a3i s ARG 405 Ca 0.17 2.29 0.03 0.00 -2.50 0.00 0.00 55.73 55.72 3a3i s ARG 405 Cb 0.15 -4.17 0.74 0.00 0.06 0.00 0.00 34.95 31.73 3a3i s ARG 405 CO 0.02 -1.24 1.66 0.78 -2.50 0.00 0.00 175.30 174.01 3a3i h GLY 406 N 11.71 1.45 2.00 8.12 0.00 -1.96 -1.33 103.07 123.07 3a3i h GLY 406 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3a3i h GLY 406 CO 0.96 -0.35 0.00 0.61 0.00 0.00 0.00 176.54 177.76 3a3i n GLY 407 N -1.36 -1.59 0.72 4.60 0.00 -1.26 -3.70 105.19 102.60 3a3i n GLY 407 Ca 0.22 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.27 3a3i n GLY 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a3i n LEU 408 N -2.00 2.97 -0.34 0.99 4.77 -0.51 -3.68 117.00 119.21 3a3i n LEU 408 Ca 0.06 -1.88 0.12 0.00 -0.03 0.00 0.00 56.01 54.27 3a3i n LEU 408 Cb 0.38 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 3a3i n LEU 408 CO 0.28 0.73 0.38 0.00 -1.33 0.00 0.00 177.39 177.45 3a3i n ILE 409 N 0.69 0.00 -4.31 -0.08 3.06 -1.20 -2.66 119.36 114.86 3a3i n ILE 409 Ca 0.13 -0.18 -0.24 0.00 -2.50 0.00 0.00 62.75 59.97 3a3i n ILE 409 Cb 0.44 0.92 -0.08 0.00 0.54 0.00 0.00 39.64 41.46 3a3i n ILE 409 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 3a3i s SER 410 N -2.57 4.42 0.79 9.51 0.01 -1.26 -4.70 113.70 119.90 3a3i s SER 410 Ca 0.19 -0.67 -0.14 0.00 1.31 0.00 0.00 55.95 56.64 3a3i s SER 410 Cb 0.18 -0.78 0.07 0.00 0.21 0.00 0.00 66.02 65.70 3a3i s SER 410 CO 0.60 0.02 1.21 -2.84 0.41 0.00 0.00 173.24 172.63 3a3i s PRO 411 N -3.54 1.73 -0.01 12.44 0.02 -1.26 -0.30 135.00 144.07 3a3i s PRO 411 Ca 0.30 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.10 3a3i s PRO 411 Cb -0.07 -1.79 0.06 0.00 0.02 0.00 0.00 34.50 32.73 3a3i s PRO 411 CO 0.19 -2.14 0.79 -0.35 -0.33 0.00 0.00 177.00 175.15 3a3i n PRO 412 N -3.19 1.24 -0.08 5.54 -0.04 -1.26 -4.82 135.00 132.40 3a3i n PRO 412 Ca 0.13 -0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 3a3i n PRO 412 Cb 0.50 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 3a3i n PRO 412 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a3i n LEU 413 N -0.11 1.34 -4.75 1.53 4.77 0.58 -4.65 117.00 115.71 3a3i n LEU 413 Ca 0.02 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 3a3i n LEU 413 Cb 0.21 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3a3i n LEU 413 CO 0.02 0.65 1.01 0.55 -1.33 0.00 0.00 177.39 178.29 3a3i n VAL 414 N -3.04 3.37 -0.80 4.08 3.14 -0.35 -0.90 118.33 123.84 3a3i n VAL 414 Ca -0.33 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 3a3i n VAL 414 Cb 1.08 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 3a3i n VAL 414 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3a3i n LYS 415 N -0.64 -1.72 0.05 1.45 5.02 0.20 -4.66 118.16 117.86 3a3i n LYS 415 Ca 0.08 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 3a3i n LYS 415 Cb 0.43 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.89 3a3i n LYS 415 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a3i n ASN 416 N -0.37 1.06 -4.68 4.39 5.15 -0.11 -4.95 115.26 115.74 3a3i n ASN 416 Ca 0.00 0.15 -0.44 0.00 -0.60 0.00 0.00 54.58 53.69 3a3i n ASN 416 Cb 0.37 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 3a3i n ASN 416 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3a3i n VAL 417 N -3.49 0.37 -4.92 3.44 0.31 -0.07 -4.57 118.33 109.40 3a3i n VAL 417 Ca 0.00 -0.07 -0.33 0.00 -0.01 0.00 0.00 64.34 63.94 3a3i n VAL 417 Cb 0.01 -2.03 -0.14 0.00 -0.91 0.00 0.00 33.84 30.78 3a3i n VAL 417 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3a3i s ILE 418 N 2.79 2.94 -0.28 2.52 -4.36 0.08 -1.06 121.20 123.83 3a3i s ILE 418 Ca 0.83 -0.76 -0.21 0.00 -0.26 0.00 0.00 60.65 60.26 3a3i s ILE 418 Cb -0.53 -2.16 0.09 0.00 1.25 0.00 0.00 42.46 41.11 3a3i s ILE 418 CO 0.40 0.58 0.81 0.00 0.24 0.00 0.00 174.94 176.96 3a3i s ALA 419 N -0.47 -1.92 0.01 2.27 0.00 -0.72 -0.40 121.76 120.53 3a3i s ALA 419 Ca 0.06 2.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.86 3a3i s ALA 419 Cb -0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 3a3i s ALA 419 CO 0.02 -0.33 1.25 0.21 0.00 0.00 0.00 175.76 176.90 3a3i s LYS 420 N 0.87 4.37 0.40 0.00 2.47 0.16 -3.91 119.74 124.11 3a3i s LYS 420 Ca -0.04 1.79 -0.06 0.00 -1.56 0.00 0.00 55.97 56.10 3a3i s LYS 420 Cb -0.05 -3.46 -0.05 0.00 -1.46 0.00 0.00 37.83 32.81 3a3i s LYS 420 CO -0.09 -0.40 0.70 0.95 0.16 0.00 0.00 175.35 176.67 3a3i s THR 421 N 1.75 4.93 -0.09 3.43 -4.23 -1.26 -1.01 115.64 119.15 3a3i s THR 421 Ca 0.59 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 61.23 3a3i s THR 421 Cb -0.28 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 69.79 3a3i s THR 421 CO 0.26 -0.61 0.23 -0.83 -0.54 0.00 0.00 174.62 173.13 3a3i s GLY 422 N -3.65 -0.14 -0.02 3.99 0.00 -0.66 -3.37 107.32 103.48 3a3i s GLY 422 Ca 0.47 0.87 0.00 0.00 0.00 0.00 0.00 44.72 46.06 3a3i s GLY 422 CO 0.37 1.04 0.00 -0.56 0.00 0.00 0.00 173.10 173.95 3a3i s SER 423 N 0.94 0.22 0.30 1.64 0.01 -1.26 -0.48 113.70 115.07 3a3i s SER 423 Ca -0.07 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.20 3a3i s SER 423 Cb -0.08 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 3a3i s SER 423 CO -0.06 -0.06 0.31 -0.76 0.41 0.00 0.00 173.24 173.08 3a3i s LEU 424 N 0.62 1.31 -0.07 2.44 1.43 -0.81 -4.78 118.68 118.81 3a3i s LEU 424 Ca -0.06 -1.54 -0.35 0.00 -1.03 0.00 0.00 54.13 51.15 3a3i s LEU 424 Cb -0.08 0.85 -0.13 0.00 0.03 0.00 0.00 46.19 46.86 3a3i s LEU 424 CO -0.01 -1.08 1.78 1.17 0.23 0.00 0.00 176.35 178.44 3a3i n LYS 425 N -0.51 1.93 -0.45 1.70 4.81 -1.26 -1.55 118.16 122.84 3a3i n LYS 425 Ca 0.04 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3a3i n LYS 425 Cb 0.63 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.18 3a3i n LYS 425 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3i n GLY 426 N 4.11 1.79 2.98 3.14 0.00 -1.26 -4.93 105.19 111.02 3a3i n GLY 426 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 3a3i n GLY 426 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3i s VAL 427 N -3.33 1.16 -0.29 1.61 1.01 -0.60 -0.96 120.40 119.00 3a3i s VAL 427 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3a3i s VAL 427 Cb 0.00 -1.10 0.09 0.00 0.00 0.00 0.00 36.38 35.37 3a3i s VAL 427 CO 0.00 0.38 0.08 -0.31 0.00 0.00 0.00 175.10 175.25 3a3i s TYR 428 N 1.14 1.68 0.22 5.22 2.02 -0.52 -1.92 117.35 125.18 3a3i s TYR 428 Ca -0.05 -1.64 0.11 0.00 -0.37 0.00 0.00 57.07 55.12 3a3i s TYR 428 Cb -0.14 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 3a3i s TYR 428 CO -0.02 -0.84 -0.20 -0.80 -1.57 0.00 0.00 175.55 172.12 3a3i s ASN 429 N 1.63 3.66 -0.06 2.29 0.01 0.37 -2.86 114.94 119.97 3a3i s ASN 429 Ca 0.08 -0.86 -0.05 0.00 -0.71 0.00 0.00 52.86 51.32 3a3i s ASN 429 Cb -0.17 -0.37 0.02 0.00 0.41 0.00 0.00 41.25 41.14 3a3i s ASN 429 CO -0.22 0.09 0.17 -0.76 -1.51 0.00 0.00 177.10 174.87 3a3i s LEU 430 N -2.97 1.28 -0.04 0.60 1.43 -0.23 -1.65 118.68 117.11 3a3i s LEU 430 Ca 0.24 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3a3i s LEU 430 Cb -0.07 0.55 0.03 0.00 0.03 0.00 0.00 46.19 46.73 3a3i s LEU 430 CO 0.12 -0.07 0.03 0.00 0.23 0.00 0.00 176.35 176.66 3a3i s ALA 431 N 0.22 0.28 0.00 4.21 0.00 -0.18 0.57 121.76 126.86 3a3i s ALA 431 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3a3i s ALA 431 Cb -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3a3i s ALA 431 CO -0.01 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3a3i n GLY 432 N 4.65 -0.80 3.19 0.00 0.00 -0.71 -0.66 105.19 110.86 3a3i n GLY 432 Ca -0.17 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3a3i n GLY 432 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a3i s PHE 433 N -2.81 0.09 0.32 1.61 0.08 0.46 -1.31 117.98 116.42 3a3i s PHE 433 Ca 0.00 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.58 3a3i s PHE 433 Cb 0.00 -0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.42 3a3i s PHE 433 CO 0.00 -0.46 0.57 0.00 -0.10 0.00 0.00 175.22 175.23 3a3i s MET 434 N -2.96 1.88 -0.17 0.44 0.23 -0.53 -0.74 119.30 117.45 3a3i s MET 434 Ca -0.02 -1.48 -0.04 0.00 -1.03 0.00 0.00 55.69 53.12 3a3i s MET 434 Cb 0.01 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.79 3a3i s MET 434 CO -0.06 -0.81 -0.02 0.99 -2.03 0.00 0.00 175.02 173.08 3a3i s THR 435 N -3.21 3.94 0.61 3.16 2.01 -1.26 -1.00 115.64 119.89 3a3i s THR 435 Ca 0.23 -0.33 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3a3i s THR 435 Cb -0.02 -2.75 0.13 0.00 0.01 0.00 0.00 72.50 69.88 3a3i s THR 435 CO 0.14 0.47 0.84 -0.46 -0.69 0.00 0.00 174.62 174.92 3a3i n ASN 436 N 3.75 0.44 0.00 3.53 0.23 -0.45 -4.89 115.26 117.87 3a3i n ASN 436 Ca -0.17 -1.53 0.07 0.00 -0.53 0.00 0.00 54.58 52.42 3a3i n ASN 436 Cb 0.52 -0.60 0.40 0.00 -2.08 0.00 0.00 39.78 38.01 3a3i n ASN 436 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a3i n ALA 437 N -3.32 1.90 -0.54 -2.53 0.00 -0.39 -0.94 120.51 114.69 3a3i n ALA 437 Ca -0.14 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.30 3a3i n ALA 437 Cb 0.41 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 18.85 3a3i n ALA 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a3i n ARG 438 N -1.22 3.09 -1.71 0.00 1.74 -1.26 -4.94 116.66 112.35 3a3i n ARG 438 Ca 0.08 -2.50 -0.21 0.00 -0.77 0.00 0.00 57.85 54.45 3a3i n ARG 438 Cb 0.10 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 3a3i n ARG 438 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a3i n GLY 439 N 0.36 1.63 3.89 -0.13 0.00 -0.11 -5.02 105.19 105.80 3a3i n GLY 439 Ca 0.18 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3a3i n GLY 439 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3i s GLU 440 N -3.93 3.70 0.01 1.61 2.02 -1.26 -4.84 118.70 116.02 3a3i s GLU 440 Ca 0.00 0.30 -0.18 0.00 0.02 0.00 0.00 54.97 55.11 3a3i s GLU 440 Cb 0.00 -2.46 -0.06 0.00 0.10 0.00 0.00 34.13 31.72 3a3i s GLU 440 CO 0.00 0.00 0.51 0.21 0.02 0.00 0.00 175.26 176.00 3a3i s LYS 441 N -3.91 4.16 -0.18 1.61 2.20 -1.26 -1.35 119.74 121.01 3a3i s LYS 441 Ca 0.49 0.59 0.01 0.00 -0.36 0.00 0.00 55.97 56.70 3a3i s LYS 441 Cb -0.10 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 3a3i s LYS 441 CO 0.33 0.53 -0.20 0.08 -0.36 0.00 0.00 175.35 175.74 3a3i s VAL 442 N -0.67 2.07 0.19 4.02 1.01 -0.17 -0.73 120.40 126.12 3a3i s VAL 442 Ca 0.27 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3a3i s VAL 442 Cb -0.18 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 3a3i s VAL 442 CO 0.16 0.53 0.50 0.00 0.00 0.00 0.00 175.10 176.28 3a3i s ALA 443 N 1.29 3.63 -0.01 5.51 0.00 -0.49 -1.45 121.76 130.24 3a3i s ALA 443 Ca 0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 3a3i s ALA 443 Cb -0.13 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.69 3a3i s ALA 443 CO -0.13 0.55 0.48 -0.59 0.00 0.00 0.00 175.76 176.07 3a3i s PHE 444 N -1.74 -0.39 -0.04 0.00 -0.12 -0.43 -0.59 117.98 114.67 3a3i s PHE 444 Ca 0.45 0.60 0.02 0.00 -0.05 0.00 0.00 56.93 57.94 3a3i s PHE 444 Cb -0.12 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.54 3a3i s PHE 444 CO 0.22 -0.52 -0.07 0.08 -0.05 0.00 0.00 175.22 174.88 3a3i s VAL 445 N -1.55 0.68 -0.18 -2.49 1.01 0.12 -1.73 120.40 116.26 3a3i s VAL 445 Ca -0.11 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3a3i s VAL 445 Cb -0.02 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.72 3a3i s VAL 445 CO 0.05 0.25 -0.13 -1.58 0.00 0.00 0.00 175.10 173.69 3a3i s GLN 446 N 0.71 2.26 -0.14 2.72 0.74 0.19 -1.73 119.66 124.41 3a3i s GLN 446 Ca -0.11 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.59 3a3i s GLN 446 Cb -0.14 -2.32 0.01 0.00 1.10 0.00 0.00 33.01 31.67 3a3i s GLN 446 CO 0.01 -0.33 -0.21 -0.06 -0.55 0.00 0.00 175.29 174.15 3a3i s PHE 447 N 1.41 2.59 -0.13 1.67 0.08 0.41 -1.06 117.98 122.95 3a3i s PHE 447 Ca 0.02 -1.33 0.02 0.00 0.12 0.00 0.00 56.93 55.76 3a3i s PHE 447 Cb -0.15 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 3a3i s PHE 447 CO -0.10 -0.62 -0.20 0.42 -0.10 0.00 0.00 175.22 174.62 3a3i s ILE 448 N 0.90 1.91 0.38 0.64 1.01 -1.14 0.25 121.20 125.16 3a3i s ILE 448 Ca -0.05 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3a3i s ILE 448 Cb -0.15 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3a3i s ILE 448 CO -0.03 0.52 0.07 0.20 0.00 0.00 0.00 174.94 175.70 3a3i s ASN 449 N 0.87 2.88 -1.64 3.58 -0.87 0.03 -1.44 114.94 118.36 3a3i s ASN 449 Ca -0.07 -1.51 0.00 0.00 -1.57 0.00 0.00 52.86 49.72 3a3i s ASN 449 Cb -0.15 0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 3a3i s ASN 449 CO -0.02 -0.73 0.00 0.61 -2.57 0.00 0.00 177.10 174.39 3a3i n GLY 450 N -0.86 -0.39 3.63 0.66 0.00 -0.86 -1.08 105.19 106.29 3a3i n GLY 450 Ca -0.06 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3a3i n GLY 450 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a3i s TYR 451 N -2.95 3.30 -0.16 1.61 5.04 -0.14 -3.47 117.35 120.58 3a3i s TYR 451 Ca 0.00 0.69 -0.07 0.00 -2.44 0.00 0.00 57.07 55.25 3a3i s TYR 451 Cb 0.00 -2.71 0.07 0.00 0.35 0.00 0.00 41.96 39.67 3a3i s TYR 451 CO 0.00 -0.22 0.36 0.45 -1.34 0.00 0.00 175.55 174.80 3a3i s SER 452 N 1.40 -0.24 0.00 4.32 0.15 -1.26 -4.06 113.70 114.01 3a3i s SER 452 Ca 0.22 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.70 3a3i s SER 452 Cb -0.16 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 3a3i s SER 452 CO 0.09 -0.21 0.30 0.35 1.20 0.00 0.00 173.24 174.97 3a3i n THR 453 N 4.82 0.00 0.00 6.45 -2.24 -1.26 -4.85 114.28 117.20 3a3i n THR 453 Ca -0.16 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3a3i n THR 453 Cb 0.52 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 70.16 3a3i n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3i n GLY 454 N -0.00 1.10 1.17 3.38 0.00 -1.26 -4.88 105.19 104.69 3a3i n GLY 454 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 3a3i n GLY 454 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a3i n ASP 455 N 0.00 -0.63 -4.65 1.61 5.75 -1.26 -5.06 116.55 112.31 3a3i n ASP 455 Ca 0.00 -1.39 -0.42 0.00 -0.01 0.00 0.00 54.79 52.97 3a3i n ASP 455 Cb 0.00 1.03 -0.03 0.00 -1.03 0.00 0.00 41.12 41.09 3a3i n ASP 455 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3a3i s LEU 456 N 0.00 4.31 0.00 -2.12 1.02 -1.26 -2.64 118.68 117.99 3a3i s LEU 456 Ca 0.06 2.54 0.00 0.00 0.02 0.00 0.00 54.13 56.75 3a3i s LEU 456 Cb -0.01 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.67 3a3i s LEU 456 CO 0.03 -1.16 0.00 -0.62 0.02 0.00 0.00 176.35 174.62 3a3i n GLU 457 N 7.66 0.00 -3.82 1.70 1.02 -1.26 -5.08 120.64 120.87 3a3i n GLU 457 Ca 0.21 0.17 -0.36 0.00 -0.02 0.00 0.00 57.16 57.15 3a3i n GLU 457 Cb 0.42 -2.76 -0.13 0.00 -0.02 0.00 0.00 31.44 28.95 3a3i n GLU 457 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3a3i s SER 458 N -2.74 4.97 0.15 1.62 0.01 -1.08 -5.09 113.70 111.54 3a3i s SER 458 Ca 0.00 -0.94 -0.34 0.00 1.31 0.00 0.00 55.95 55.98 3a3i s SER 458 Cb 0.00 -1.81 -0.16 0.00 0.21 0.00 0.00 66.02 64.26 3a3i s SER 458 CO 0.00 -0.22 1.24 0.29 0.41 0.00 0.00 173.24 174.95 3a3i n LYS 459 N 4.78 1.22 -2.85 12.44 5.02 -1.26 -4.72 118.16 132.78 3a3i n LYS 459 Ca -0.14 0.44 -0.41 0.00 -2.02 0.00 0.00 58.31 56.17 3a3i n LYS 459 Cb 0.46 -1.99 -0.04 0.00 -0.02 0.00 0.00 35.03 33.44 3a3i n LYS 459 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3a3i s THR 460 N 0.04 4.89 -0.15 -0.18 2.01 -1.26 -4.92 115.64 116.08 3a3i s THR 460 Ca 0.76 1.74 -0.29 0.00 0.31 0.00 0.00 61.69 64.22 3a3i s THR 460 Cb -0.87 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 67.40 3a3i s THR 460 CO 0.50 0.09 2.15 -0.75 -0.69 0.00 0.00 174.62 175.92 3a3i s LYS 461 N 1.67 3.41 0.00 4.92 2.47 -1.26 -4.86 119.74 126.10 3a3i s LYS 461 Ca 0.42 2.19 0.24 0.00 -1.56 0.00 0.00 55.97 57.26 3a3i s LYS 461 Cb -0.18 -4.31 0.34 0.00 -1.46 0.00 0.00 37.83 32.22 3a3i s LYS 461 CO 0.17 -1.78 1.30 0.54 0.16 0.00 0.00 175.35 175.73 3a3i n ARG 462 N 8.42 0.29 -0.22 4.03 1.74 -1.26 -4.39 116.66 125.26 3a3i n ARG 462 Ca 0.27 -0.20 0.01 0.00 -0.77 0.00 0.00 57.85 57.16 3a3i n ARG 462 Cb 0.44 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.50 3a3i n ARG 462 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a3i h ALA 463 N 3.22 0.88 0.00 7.54 0.00 -1.99 0.99 119.26 129.90 3a3i h ALA 463 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3a3i h ALA 463 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3a3i h ALA 463 CO 0.00 -0.11 -0.23 -1.35 0.00 0.00 0.00 179.25 177.56 3a3i h PRO 464 N 0.51 0.00 -0.21 0.00 0.11 -1.84 -1.38 132.00 129.20 3a3i h PRO 464 Ca 0.33 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.34 3a3i h PRO 464 Cb 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3a3i h PRO 464 CO -0.28 0.23 -0.23 1.25 -0.21 0.00 0.00 178.00 178.75 3a3i h LEU 465 N 0.00 0.57 -0.51 2.35 5.85 -1.19 -0.53 115.31 121.84 3a3i h LEU 465 Ca -0.00 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.28 3a3i h LEU 465 Cb 0.56 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3a3i h LEU 465 CO 0.03 0.94 0.24 0.58 -0.34 0.00 0.00 178.44 179.89 3a3i h VAL 466 N 0.21 0.92 -0.40 1.05 2.07 -0.68 -1.43 116.25 117.99 3a3i h VAL 466 Ca 0.03 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3a3i h VAL 466 Cb 0.79 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3a3i h VAL 466 CO 0.06 0.09 -0.15 -0.61 0.02 0.00 0.00 177.57 176.97 3a3i h GLN 467 N 0.47 0.81 -0.32 1.57 4.15 -1.18 -1.36 115.11 119.24 3a3i h GLN 467 Ca 0.23 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.36 3a3i h GLN 467 Cb 0.17 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 3a3i h GLN 467 CO -0.18 0.96 0.07 0.35 -1.93 0.00 0.00 178.83 178.09 3a3i h PHE 468 N 0.62 0.11 -0.22 3.99 3.57 -0.89 -2.20 116.94 121.92 3a3i h PHE 468 Ca 0.10 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 3a3i h PHE 468 Cb 0.69 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3a3i h PHE 468 CO 0.05 0.02 -0.45 0.93 -2.23 0.00 0.00 178.31 176.64 3a3i h GLU 469 N 0.18 0.70 0.07 1.11 5.08 -1.18 0.21 114.58 120.75 3a3i h GLU 469 Ca 0.15 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3a3i h GLU 469 Cb 0.16 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3a3i h GLU 469 CO -0.19 1.08 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.59 3a3i h ARG 470 N 0.41 -0.37 -0.42 2.33 2.43 -1.25 -0.87 114.38 116.65 3a3i h ARG 470 Ca 0.01 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3a3i h ARG 470 Cb 1.05 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3a3i h ARG 470 CO 0.10 -0.25 0.23 -0.91 -1.51 0.00 0.00 179.97 177.64 3a3i h ASN 471 N -0.38 0.53 -0.13 -3.80 2.35 -1.30 -2.25 115.58 110.60 3a3i h ASN 471 Ca 0.04 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3a3i h ASN 471 Cb 0.43 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3a3i h ASN 471 CO -0.15 0.46 0.04 0.25 -1.65 0.00 0.00 177.43 176.38 3a3i h LEU 472 N 0.55 0.04 -0.46 1.61 5.85 -0.30 -1.17 115.31 121.44 3a3i h LEU 472 Ca 0.15 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 3a3i h LEU 472 Cb 0.05 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3a3i h LEU 472 CO -0.02 0.04 -0.63 1.88 -0.34 0.00 0.00 178.44 179.37 3a3i h TYR 473 N 0.10 0.66 -0.65 1.25 0.05 -1.13 -1.19 116.97 116.06 3a3i h TYR 473 Ca 0.05 -0.26 0.09 0.00 0.05 0.00 0.00 58.73 58.67 3a3i h TYR 473 Cb 0.03 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.58 3a3i h TYR 473 CO -0.11 1.00 0.28 -0.91 -1.05 0.00 0.00 178.16 177.37 3a3i h ASN 474 N 0.38 0.32 -0.67 3.88 4.21 -1.37 0.12 115.58 122.45 3a3i h ASN 474 Ca -0.01 0.07 -0.06 0.00 1.21 0.00 0.00 56.30 57.51 3a3i h ASN 474 Cb 1.19 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 38.39 3a3i h ASN 474 CO 0.11 0.18 0.17 -0.33 -1.29 0.00 0.00 177.43 176.28 3a3i h GLU 475 N 0.48 1.08 -0.00 0.81 4.39 -0.86 -0.86 114.58 119.62 3a3i h GLU 475 Ca 0.32 -0.25 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3a3i h GLU 475 Cb 0.38 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3a3i h GLU 475 CO -0.29 0.95 -0.61 -0.07 -1.16 0.00 0.00 179.01 177.83 3a3i h LEU 476 N 1.03 0.01 -0.39 1.33 3.38 -1.04 -1.00 115.31 118.63 3a3i h LEU 476 Ca 0.22 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3a3i h LEU 476 Cb 0.35 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3a3i h LEU 476 CO -0.00 0.61 0.24 0.22 0.09 0.00 0.00 178.44 179.61 3a3i h TYR 477 N 0.01 0.46 0.00 1.13 3.20 -0.17 -3.30 116.97 118.29 3a3i h TYR 477 Ca -0.01 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 3a3i h TYR 477 Cb 1.07 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 3a3i h TYR 477 CO 0.00 0.28 -1.41 0.87 -1.64 0.00 0.00 178.16 176.26 3a3i h LYS 478 N 0.50 0.00 0.00 1.82 1.57 -1.07 -1.04 116.57 118.35 3a3i h LYS 478 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3a3i h LYS 478 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3a3i h LYS 478 CO -0.05 0.46 0.00 0.98 -0.57 0.00 0.00 179.45 180.27