#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3d s ILE 28 N 0.00 2.24 -1.05 2.02 1.01 0.00 -4.94 121.20 120.49 3a3d s ILE 28 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.63 3a3d s ILE 28 Cb 0.00 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.37 3a3d s ILE 28 CO 0.00 0.03 1.58 0.21 0.00 0.00 0.00 174.94 176.77 3a3d s ASN 29 N 0.40 6.29 0.16 3.58 3.84 -1.26 -4.73 114.94 123.22 3a3d s ASN 29 Ca 0.61 -1.48 0.09 0.00 0.21 0.00 0.00 52.86 52.29 3a3d s ASN 29 Cb -0.46 -2.57 -0.10 0.00 -0.55 0.00 0.00 41.25 37.57 3a3d s ASN 29 CO 0.48 -1.70 1.34 0.58 -2.79 0.00 0.00 177.10 175.01 3a3d h VAL 30 N 6.68 1.56 -0.31 -5.21 2.07 -1.95 -3.10 116.25 115.98 3a3d h VAL 30 Ca 0.22 -3.10 0.06 0.00 0.82 0.00 0.00 66.70 64.70 3a3d h VAL 30 Cb 0.99 2.71 -0.06 0.00 -1.52 0.00 0.00 31.29 33.41 3a3d h VAL 30 CO 1.39 0.86 -0.07 -1.28 0.02 0.00 0.00 177.57 178.50 3a3d h SER 31 N 0.00 -0.27 -0.50 0.57 0.87 -1.98 -0.32 113.55 111.91 3a3d h SER 31 Ca -0.01 0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3a3d h SER 31 Cb 1.64 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 63.72 3a3d h SER 31 CO 0.11 -0.10 0.15 0.44 -0.53 0.00 0.00 176.83 176.91 3a3d h ASP 32 N 0.01 0.11 -0.75 6.23 3.32 -1.95 -2.09 116.42 121.30 3a3d h ASP 32 Ca 0.15 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.33 3a3d h ASP 32 Cb 0.23 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 3a3d h ASP 32 CO -0.31 0.09 0.49 -0.07 -1.72 0.00 0.00 179.24 177.72 3a3d h LEU 33 N 0.31 0.72 -0.34 1.55 3.38 -1.14 -2.65 115.31 117.13 3a3d h LEU 33 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3a3d h LEU 33 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3a3d h LEU 33 CO -0.28 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.07 3a3d n THR 34 N -4.48 0.70 0.09 0.22 -2.24 -0.26 -1.70 114.28 106.60 3a3d n THR 34 Ca 0.11 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 3a3d n THR 34 Cb 0.20 -0.87 0.25 0.00 -2.10 0.00 0.00 70.33 67.81 3a3d n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a3d n GLN 35 N -2.20 0.06 -0.20 -0.78 1.13 -1.00 -1.00 117.38 113.39 3a3d n GLN 35 Ca 0.04 0.51 0.11 0.00 -1.94 0.00 0.00 57.00 55.71 3a3d n GLN 35 Cb 0.32 -1.83 0.21 0.00 0.11 0.00 0.00 30.24 29.05 3a3d n GLN 35 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3a3d n LYS 36 N -1.80 2.44 -2.38 -1.09 0.00 -0.69 -4.91 118.16 109.72 3a3d n LYS 36 Ca -0.01 -2.24 -0.27 0.00 -0.00 0.00 0.00 58.31 55.79 3a3d n LYS 36 Cb 0.14 -1.47 0.02 0.00 -0.00 0.00 0.00 35.03 33.72 3a3d n LYS 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3a3d s LEU 37 N -1.33 3.32 0.50 -5.58 1.43 -0.17 -4.70 118.68 112.16 3a3d s LEU 37 Ca 0.37 0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 54.10 3a3d s LEU 37 Cb 0.21 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 3a3d s LEU 37 CO 0.29 -0.93 1.34 -2.65 0.23 0.00 0.00 176.35 174.63 3a3d n PRO 38 N -2.54 1.83 -1.63 1.29 -0.02 -1.26 -4.91 135.00 127.77 3a3d n PRO 38 Ca 0.04 0.66 -0.46 0.00 -2.02 0.00 0.00 63.50 61.72 3a3d n PRO 38 Cb 0.56 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3a3d n PRO 38 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3a3d n GLU 39 N -0.61 1.63 0.00 -0.52 2.13 -1.26 -1.54 120.64 120.47 3a3d n GLU 39 Ca 0.09 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3a3d n GLU 39 Cb 0.43 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.02 3a3d n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a3d n GLY 40 N 1.82 2.87 3.86 8.31 0.00 -1.26 -4.79 105.19 116.00 3a3d n GLY 40 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3a3d n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a3d s SER 41 N -1.29 5.34 -0.02 1.61 1.04 -0.59 -4.85 113.70 114.94 3a3d s SER 41 Ca 0.00 1.26 0.04 0.00 0.48 0.00 0.00 55.95 57.73 3a3d s SER 41 Cb 0.00 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 64.02 3a3d s SER 41 CO 0.00 -1.42 -0.13 0.21 0.98 0.00 0.00 173.24 172.87 3a3d s ASN 42 N -4.17 1.61 0.09 7.02 2.47 -0.32 -5.00 114.94 116.63 3a3d s ASN 42 Ca 0.58 -0.25 0.09 0.00 0.42 0.00 0.00 52.86 53.70 3a3d s ASN 42 Cb -0.12 -0.25 -0.03 0.00 -1.45 0.00 0.00 41.25 39.39 3a3d s ASN 42 CO 0.53 0.15 -0.24 0.00 -3.72 0.00 0.00 177.10 173.82 3a3d s ALA 43 N -0.20 2.11 -0.08 1.71 0.00 -1.26 -0.60 121.76 123.45 3a3d s ALA 43 Ca 0.03 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3a3d s ALA 43 Cb -0.07 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3a3d s ALA 43 CO -0.00 0.47 -0.13 0.20 0.00 0.00 0.00 175.76 176.31 3a3d s GLY 44 N -1.66 0.85 -0.02 0.00 0.00 0.12 -4.63 107.32 101.97 3a3d s GLY 44 Ca 0.11 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.35 3a3d s GLY 44 CO 0.04 0.17 -0.01 0.14 0.00 0.00 0.00 173.10 173.44 3a3d s VAL 45 N 0.77 0.20 -0.03 1.40 1.01 0.45 0.13 120.40 124.34 3a3d s VAL 45 Ca -0.12 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3a3d s VAL 45 Cb -0.16 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3a3d s VAL 45 CO 0.02 0.13 0.17 -0.51 0.00 0.00 0.00 175.10 174.91 3a3d s ILE 46 N 0.80 0.05 -0.10 2.22 2.07 -0.48 -0.39 121.20 125.36 3a3d s ILE 46 Ca -0.08 -0.42 -0.12 0.00 -1.41 0.00 0.00 60.65 58.61 3a3d s ILE 46 Cb -0.11 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.12 3a3d s ILE 46 CO -0.01 -0.23 0.32 0.00 -1.91 0.00 0.00 174.94 173.11 3a3d s ALA 47 N -0.84 -0.80 -0.04 1.50 0.00 -0.60 -1.01 121.76 119.97 3a3d s ALA 47 Ca -0.09 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.67 3a3d s ALA 47 Cb -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3a3d s ALA 47 CO 0.01 -0.18 -0.13 0.21 0.00 0.00 0.00 175.76 175.67 3a3d s LYS 48 N -0.20 1.48 -0.40 0.00 2.20 0.31 -1.24 119.74 121.90 3a3d s LYS 48 Ca -0.03 -0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 3a3d s LYS 48 Cb -0.03 -1.29 0.02 0.00 -1.51 0.00 0.00 37.83 35.02 3a3d s LYS 48 CO 0.01 0.14 1.05 1.21 -0.36 0.00 0.00 175.35 177.40 3a3d s ASN 49 N 0.26 6.74 0.10 1.43 3.84 0.16 -1.27 114.94 126.20 3a3d s ASN 49 Ca -0.07 0.67 -0.15 0.00 0.21 0.00 0.00 52.86 53.52 3a3d s ASN 49 Cb -0.12 -2.52 -0.06 0.00 -0.55 0.00 0.00 41.25 38.00 3a3d s ASN 49 CO 0.02 -1.01 1.47 0.40 -2.79 0.00 0.00 177.10 175.19 3a3d h ILE 50 N 5.95 1.29 -0.89 -5.21 2.04 -1.19 -0.00 117.51 119.50 3a3d h ILE 50 Ca -0.22 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 3a3d h ILE 50 Cb 1.07 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 3a3d h ILE 50 CO 1.05 0.41 0.48 0.78 0.00 0.00 0.00 178.15 180.88 3a3d h ASN 51 N 0.44 1.11 0.52 1.72 -0.26 -1.91 -2.48 115.58 114.71 3a3d h ASN 51 Ca 0.07 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3a3d h ASN 51 Cb 0.70 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 3a3d h ASN 51 CO 0.05 0.89 -0.24 0.00 -1.06 0.00 0.00 177.43 177.07 3a3d n GLN 52 N -4.34 0.33 -4.02 0.81 1.13 -1.17 -4.97 117.38 105.14 3a3d n GLN 52 Ca 0.09 -0.14 -0.29 0.00 -1.94 0.00 0.00 57.00 54.72 3a3d n GLN 52 Cb 0.10 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 3a3d n GLN 52 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3a3d n ASN 53 N -1.21 -0.87 -4.07 1.08 5.15 -0.08 -4.98 115.26 110.27 3a3d n ASN 53 Ca 0.10 -1.10 -0.26 0.00 -0.60 0.00 0.00 54.58 52.71 3a3d n ASN 53 Cb 0.32 -2.61 -0.17 0.00 -0.53 0.00 0.00 39.78 36.79 3a3d n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3a3d s GLN 54 N -6.77 2.00 0.11 1.20 -1.52 -0.78 -4.99 119.66 108.92 3a3d s GLN 54 Ca 0.10 -0.52 -0.30 0.00 -1.95 0.00 0.00 55.36 52.68 3a3d s GLN 54 Cb -0.04 -1.61 -0.07 0.00 -0.22 0.00 0.00 33.01 31.07 3a3d s GLN 54 CO 0.92 0.07 1.21 0.42 -0.25 0.00 0.00 175.29 177.66 3a3d s ILE 55 N 0.57 3.81 -0.01 1.08 -1.09 -1.26 -0.67 121.20 123.63 3a3d s ILE 55 Ca -0.15 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 3a3d s ILE 55 Cb -0.16 -3.88 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3a3d s ILE 55 CO 0.05 0.15 0.01 2.30 -1.23 0.00 0.00 174.94 176.22 3a3d n ILE 56 N 3.39 0.00 -3.72 2.92 -5.35 -0.37 -4.90 119.36 111.33 3a3d n ILE 56 Ca 0.07 -0.47 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 3a3d n ILE 56 Cb 0.45 0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 39.24 3a3d n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a3d s ALA 57 N -1.07 -1.03 -0.37 -1.28 0.00 -1.20 -0.82 121.76 116.01 3a3d s ALA 57 Ca 0.00 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.00 3a3d s ALA 57 Cb 0.00 -0.46 0.19 0.00 0.00 0.00 0.00 23.12 22.85 3a3d s ALA 57 CO 0.01 -0.23 0.67 0.34 0.00 0.00 0.00 175.76 176.56 3a3d s ASP 58 N -0.24 -1.42 -0.08 0.00 -1.08 -1.24 -1.56 116.67 111.04 3a3d s ASP 58 Ca -0.04 -0.45 -0.01 0.00 -0.52 0.00 0.00 52.55 51.52 3a3d s ASP 58 Cb -0.03 1.83 0.03 0.00 -1.46 0.00 0.00 42.92 43.29 3a3d s ASP 58 CO 0.02 -0.19 -0.01 -0.47 0.52 0.00 0.00 175.17 175.04 3a3d s TYR 59 N 2.15 0.86 -1.68 -5.34 5.04 0.47 -4.73 117.35 114.11 3a3d s TYR 59 Ca 0.15 -0.31 -0.15 0.00 -2.44 0.00 0.00 57.07 54.31 3a3d s TYR 59 Cb -0.05 -0.90 0.14 0.00 0.35 0.00 0.00 41.96 41.49 3a3d s TYR 59 CO -0.13 -0.38 0.62 0.09 -1.34 0.00 0.00 175.55 174.41 3a3d n ASN 60 N 5.10 -2.16 0.00 4.32 3.02 -1.26 -0.41 115.26 123.86 3a3d n ASN 60 Ca -0.08 -1.08 0.14 0.00 -0.03 0.00 0.00 54.58 53.52 3a3d n ASN 60 Cb 0.50 -2.46 0.72 0.00 -0.61 0.00 0.00 39.78 37.92 3a3d n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3d n GLY 61 N -1.54 -1.20 0.82 7.41 0.00 -1.26 -2.40 105.19 107.02 3a3d n GLY 61 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.96 3a3d n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a3d n SER 62 N -1.27 2.88 -4.70 1.61 7.64 -1.26 -1.24 113.62 117.28 3a3d n SER 62 Ca 0.14 -1.84 -0.42 0.00 1.01 0.00 0.00 58.87 57.75 3a3d n SER 62 Cb 0.22 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 3a3d n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3a3d s THR 63 N -1.22 4.83 0.17 0.44 2.01 -1.01 -4.78 115.64 116.08 3a3d s THR 63 Ca 0.27 2.05 -0.32 0.00 0.31 0.00 0.00 61.69 64.01 3a3d s THR 63 Cb 0.16 -4.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.25 3a3d s THR 63 CO 0.22 0.09 1.57 -0.36 -0.69 0.00 0.00 174.62 175.45 3a3d s PHE 64 N 1.49 3.06 0.24 4.92 0.08 -1.26 -4.11 117.98 122.40 3a3d s PHE 64 Ca 0.50 0.62 0.01 0.00 0.12 0.00 0.00 56.93 58.18 3a3d s PHE 64 Cb -0.20 -3.94 -0.05 0.00 -0.57 0.00 0.00 43.02 38.27 3a3d s PHE 64 CO 0.23 -3.45 0.12 -1.64 -0.10 0.00 0.00 175.22 170.38 3a3d s MET 65 N 1.13 1.35 -0.09 0.44 -1.94 -0.03 -4.79 119.30 115.38 3a3d s MET 65 Ca 0.70 -1.73 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 3a3d s MET 65 Cb -0.44 -0.03 -0.02 0.00 2.01 0.00 0.00 34.83 36.35 3a3d s MET 65 CO 0.31 -0.35 1.14 -0.51 -0.01 0.00 0.00 175.02 175.60 3a3d s LEU 66 N -3.26 4.25 0.17 -0.03 1.43 -1.26 -1.38 118.68 118.60 3a3d s LEU 66 Ca 0.38 1.70 0.23 0.00 -1.03 0.00 0.00 54.13 55.41 3a3d s LEU 66 Cb 0.07 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.86 3a3d s LEU 66 CO 0.14 -0.57 1.15 1.55 0.23 0.00 0.00 176.35 178.85 3a3d h PRO 67 N 7.42 0.00 0.00 1.29 0.13 -1.87 -3.47 132.00 135.50 3a3d h PRO 67 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3a3d h PRO 67 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3a3d h PRO 67 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 3a3d n ALA 68 N -2.03 0.00 0.41 -0.56 0.00 -1.26 -1.82 120.51 115.26 3a3d n ALA 68 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3a3d n ALA 68 Cb 0.50 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.18 3a3d n ALA 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a3d n SER 69 N -2.80 0.00 0.27 0.00 7.64 -1.26 -1.37 113.62 116.10 3a3d n SER 69 Ca 0.00 0.30 0.18 0.00 1.01 0.00 0.00 58.87 60.35 3a3d n SER 69 Cb 0.00 -0.38 0.83 0.00 -1.01 0.00 0.00 64.21 63.65 3a3d n SER 69 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3a3d h THR 70 N 0.00 0.00 -0.84 0.44 1.35 -1.31 -1.67 112.91 110.88 3a3d h THR 70 Ca 0.00 -0.26 0.23 0.00 -0.55 0.00 0.00 66.41 65.83 3a3d h THR 70 Cb 0.12 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 67.68 3a3d h THR 70 CO 0.00 0.00 0.59 -0.61 -0.25 0.00 0.00 175.52 175.25 3a3d h GLN 71 N 0.00 0.08 0.00 4.72 5.75 -1.36 -1.64 115.11 122.65 3a3d h GLN 71 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a3d h GLN 71 Cb 0.28 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.81 3a3d h GLN 71 CO 0.00 0.05 0.00 0.87 -2.65 0.00 0.00 178.83 177.10 3a3d h LYS 72 N 0.08 0.00 -0.94 1.69 1.57 -1.36 -1.61 116.57 116.00 3a3d h LYS 72 Ca 0.41 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 3a3d h LYS 72 Cb 1.50 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.76 3a3d h LYS 72 CO -0.04 0.00 0.57 0.28 -0.57 0.00 0.00 179.45 179.69 3a3d h VAL 73 N 0.00 1.26 -0.24 0.50 2.07 -1.50 -0.24 116.25 118.10 3a3d h VAL 73 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3a3d h VAL 73 Cb 0.11 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3a3d h VAL 73 CO 0.00 0.27 0.16 -0.26 0.02 0.00 0.00 177.57 177.76 3a3d h PHE 74 N 1.30 0.31 -0.78 1.57 0.04 -1.50 -1.72 116.94 116.15 3a3d h PHE 74 Ca 0.34 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 3a3d h PHE 74 Cb -0.06 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 3a3d h PHE 74 CO 0.00 0.20 0.39 1.15 -0.60 0.00 0.00 178.31 179.46 3a3d h THR 75 N 0.32 1.24 -0.25 -1.55 2.02 -1.48 -1.16 112.91 112.06 3a3d h THR 75 Ca 0.09 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3a3d h THR 75 Cb -0.03 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3a3d h THR 75 CO -0.02 0.28 0.16 0.00 0.37 0.00 0.00 175.52 176.31 3a3d h ALA 76 N 1.33 0.31 -0.29 6.16 0.00 -0.62 1.00 119.26 127.15 3a3d h ALA 76 Ca 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3a3d h ALA 76 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3a3d h ALA 76 CO -0.04 -0.21 -0.18 0.28 0.00 0.00 0.00 179.25 179.10 3a3d h VAL 77 N 0.33 1.30 -0.83 0.00 2.07 -0.93 -1.61 116.25 116.58 3a3d h VAL 77 Ca 0.09 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 3a3d h VAL 77 Cb -0.03 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3a3d h VAL 77 CO -0.02 0.41 0.45 0.00 0.02 0.00 0.00 177.57 178.43 3a3d h ALA 78 N 0.73 1.07 -0.38 1.67 0.00 -1.04 -1.30 119.26 120.01 3a3d h ALA 78 Ca 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3a3d h ALA 78 Cb 0.72 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3a3d h ALA 78 CO 0.05 0.59 0.12 0.00 0.00 0.00 0.00 179.25 180.01 3a3d h ALA 79 N 1.24 0.50 -0.73 0.00 0.00 -0.71 -0.12 119.26 119.45 3a3d h ALA 79 Ca 0.29 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3a3d h ALA 79 Cb 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 3a3d h ALA 79 CO -0.05 0.14 0.39 0.87 0.00 0.00 0.00 179.25 180.61 3a3d h LYS 80 N 0.47 0.66 -0.05 0.00 1.79 -0.97 0.53 116.57 119.01 3a3d h LYS 80 Ca 0.12 -0.04 -0.25 0.00 -2.18 0.00 0.00 60.65 58.31 3a3d h LYS 80 Cb 0.25 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3a3d h LYS 80 CO -0.00 0.44 -0.94 -0.07 -1.08 0.00 0.00 179.45 177.79 3a3d h LEU 81 N 0.68 0.85 0.00 2.94 3.38 -0.98 -2.86 115.31 119.33 3a3d h LEU 81 Ca 0.34 -0.64 -0.28 0.00 0.09 0.00 0.00 57.88 57.40 3a3d h LEU 81 Cb 0.30 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3a3d h LEU 81 CO -0.23 1.44 -2.08 0.00 0.09 0.00 0.00 178.44 177.65 3a3d n ALA 82 N -2.61 1.74 -0.10 1.53 0.00 -0.08 -4.57 120.51 116.42 3a3d n ALA 82 Ca -0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 53.44 52.19 3a3d n ALA 82 Cb 0.83 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 3a3d n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a3d n LEU 83 N -2.75 2.92 0.00 0.00 4.77 0.13 -4.90 117.00 117.18 3a3d n LEU 83 Ca -0.23 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3a3d n LEU 83 Cb 1.01 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3a3d n LEU 83 CO 0.44 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3a3d n GLY 84 N 2.49 -1.55 0.11 -0.72 0.00 -0.95 -4.13 105.19 100.46 3a3d n GLY 84 Ca -0.36 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.21 3a3d n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a3d n ASP 85 N -2.16 0.61 -0.51 1.61 8.00 -1.26 -2.08 116.55 120.77 3a3d n ASP 85 Ca 0.00 0.64 0.13 0.00 0.71 0.00 0.00 54.79 56.27 3a3d n ASP 85 Cb 0.00 -0.77 0.33 0.00 -0.02 0.00 0.00 41.12 40.65 3a3d n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a3d n GLN 86 N -2.16 1.49 -1.92 -1.24 3.00 -1.26 -3.83 117.38 111.46 3a3d n GLN 86 Ca 0.03 -1.02 -0.41 0.00 -0.01 0.00 0.00 57.00 55.59 3a3d n GLN 86 Cb 0.25 -1.48 -0.01 0.00 0.00 0.00 0.00 30.24 29.00 3a3d n GLN 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3a3d s PHE 87 N -2.21 2.83 0.02 1.08 5.36 -0.88 -4.78 117.98 119.39 3a3d s PHE 87 Ca 0.29 1.11 -0.00 0.00 -0.96 0.00 0.00 56.93 57.37 3a3d s PHE 87 Cb 0.20 -3.91 -0.02 0.00 -0.34 0.00 0.00 43.02 38.96 3a3d s PHE 87 CO 0.42 -2.78 -0.02 -0.65 -1.46 0.00 0.00 175.22 170.73 3a3d s GLN 88 N -1.27 0.28 0.24 10.12 -0.21 -1.26 -0.13 119.66 127.42 3a3d s GLN 88 Ca 0.56 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 55.12 3a3d s GLN 88 Cb -0.44 0.10 -0.09 0.00 1.00 0.00 0.00 33.01 33.58 3a3d s GLN 88 CO 0.53 -0.05 0.93 -0.06 -2.12 0.00 0.00 175.29 174.52 3a3d s PHE 89 N -1.26 3.97 -0.15 0.91 0.08 -1.26 -4.80 117.98 115.47 3a3d s PHE 89 Ca -0.14 1.90 -0.04 0.00 0.12 0.00 0.00 56.93 58.77 3a3d s PHE 89 Cb -0.09 -2.96 -0.03 0.00 -0.57 0.00 0.00 43.02 39.37 3a3d s PHE 89 CO -0.01 0.45 -0.02 -1.21 -0.10 0.00 0.00 175.22 174.33 3a3d s GLU 90 N -1.22 3.58 -0.11 0.44 2.02 -1.26 0.06 118.70 122.21 3a3d s GLU 90 Ca 0.41 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.95 3a3d s GLU 90 Cb -0.25 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.06 3a3d s GLU 90 CO 0.31 0.32 -0.22 0.99 0.02 0.00 0.00 175.26 176.69 3a3d s THR 91 N 0.16 1.95 0.09 3.63 2.01 -0.29 -3.69 115.64 119.50 3a3d s THR 91 Ca -0.01 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.08 3a3d s THR 91 Cb -0.13 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3a3d s THR 91 CO 0.02 0.53 -0.08 0.00 -0.69 0.00 0.00 174.62 174.41 3a3d s ALA 92 N 0.59 0.95 -0.11 7.40 0.00 -0.45 -0.36 121.76 129.77 3a3d s ALA 92 Ca -0.13 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.67 3a3d s ALA 92 Cb -0.17 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 3a3d s ALA 92 CO 0.04 -0.12 -0.16 -0.51 0.00 0.00 0.00 175.76 175.01 3a3d s LEU 93 N -2.52 2.54 0.12 0.00 1.43 0.48 -0.47 118.68 120.27 3a3d s LEU 93 Ca 0.05 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3a3d s LEU 93 Cb -0.01 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3a3d s LEU 93 CO -0.02 0.18 -0.07 -0.76 0.23 0.00 0.00 176.35 175.91 3a3d s LEU 94 N 0.24 2.49 0.04 1.79 1.02 -0.35 -0.22 118.68 123.69 3a3d s LEU 94 Ca -0.11 -1.02 -0.21 0.00 0.02 0.00 0.00 54.13 52.81 3a3d s LEU 94 Cb -0.16 -0.18 0.05 0.00 0.02 0.00 0.00 46.19 45.92 3a3d s LEU 94 CO 0.06 -0.42 0.48 -0.55 0.02 0.00 0.00 176.35 175.94 3a3d s SER 95 N -3.10 -0.39 -0.00 2.29 0.15 -0.09 -0.54 113.70 112.01 3a3d s SER 95 Ca 0.15 0.14 0.19 0.00 0.70 0.00 0.00 55.95 57.12 3a3d s SER 95 Cb 0.04 0.47 0.55 0.00 -1.71 0.00 0.00 66.02 65.37 3a3d s SER 95 CO -0.02 -0.69 1.46 0.59 1.20 0.00 0.00 173.24 175.78 3a3d n ASN 96 N 0.48 3.36 -4.93 5.45 3.02 -1.26 -0.07 115.26 121.31 3a3d n ASN 96 Ca -0.18 -2.02 -0.25 0.00 -0.03 0.00 0.00 54.58 52.10 3a3d n ASN 96 Cb 0.60 -0.42 0.01 0.00 -0.61 0.00 0.00 39.78 39.36 3a3d n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3a3d s GLY 97 N -0.99 1.53 0.06 7.41 0.00 -1.26 -4.94 107.32 109.13 3a3d s GLY 97 Ca 0.42 -0.81 -0.12 0.00 0.00 0.00 0.00 44.72 44.20 3a3d s GLY 97 CO 0.28 -0.63 0.42 -1.59 0.00 0.00 0.00 173.10 171.58 3a3d s LYS 98 N -4.68 3.84 0.16 2.90 -2.85 -1.25 -4.73 119.74 113.13 3a3d s LYS 98 Ca 0.48 0.30 -0.30 0.00 -1.00 0.00 0.00 55.97 55.45 3a3d s LYS 98 Cb -0.10 -3.06 -0.07 0.00 -2.06 0.00 0.00 37.83 32.54 3a3d s LYS 98 CO 0.41 0.59 1.01 0.42 0.10 0.00 0.00 175.35 177.88 3a3d s ILE 99 N -1.30 4.21 -0.30 3.79 1.01 -1.26 -1.09 121.20 126.26 3a3d s ILE 99 Ca 0.31 1.92 -0.07 0.00 0.00 0.00 0.00 60.65 62.80 3a3d s ILE 99 Cb -0.15 -4.22 0.17 0.00 0.01 0.00 0.00 42.46 38.26 3a3d s ILE 99 CO 0.17 0.34 0.73 -1.58 0.00 0.00 0.00 174.94 174.60 3a3d s GLN 100 N -0.34 0.48 -1.54 2.79 0.74 -0.27 -4.90 119.66 116.62 3a3d s GLN 100 Ca 0.47 0.99 -0.05 0.00 0.05 0.00 0.00 55.36 56.82 3a3d s GLN 100 Cb -0.26 0.58 0.04 0.00 1.10 0.00 0.00 33.01 34.47 3a3d s GLN 100 CO 0.32 -0.37 0.33 0.09 -0.55 0.00 0.00 175.29 175.11 3a3d n ASN 101 N 5.38 -0.40 0.00 6.67 3.02 -1.26 -2.40 115.26 126.27 3a3d n ASN 101 Ca -0.06 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3a3d n ASN 101 Cb 0.51 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 3a3d n ASN 101 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3d n GLY 102 N -2.04 1.10 3.84 7.41 0.00 -1.26 -4.97 105.19 109.26 3a3d n GLY 102 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3a3d n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3d s ASN 103 N -2.99 6.11 -0.48 1.61 0.02 -1.01 0.81 114.94 119.02 3a3d s ASN 103 Ca 0.00 0.37 -0.23 0.00 -1.02 0.00 0.00 52.86 51.98 3a3d s ASN 103 Cb 0.00 -1.91 0.03 0.00 0.02 0.00 0.00 41.25 39.39 3a3d s ASN 103 CO 0.00 0.37 0.81 -0.22 0.02 0.00 0.00 177.10 178.08 3a3d s LEU 104 N -1.18 4.28 -1.21 0.60 2.96 0.21 -1.11 118.68 123.24 3a3d s LEU 104 Ca 0.17 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 3a3d s LEU 104 Cb -0.12 -2.89 0.22 0.00 0.50 0.00 0.00 46.19 43.90 3a3d s LEU 104 CO 0.06 -0.99 1.70 -0.67 -1.32 0.00 0.00 176.35 175.14 3a3d n ASP 105 N 6.84 5.54 0.00 3.68 -0.08 -0.25 -1.06 116.55 131.23 3a3d n ASP 105 Ca 0.01 -3.20 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 3a3d n ASP 105 Cb 0.48 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.52 3a3d n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3a3d n GLY 106 N 2.39 -0.80 3.90 0.27 0.00 -1.26 -3.83 105.19 105.86 3a3d n GLY 106 Ca 0.35 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 3a3d n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3d s ASN 107 N -4.00 6.36 -0.23 1.61 0.01 -1.26 -1.71 114.94 115.72 3a3d s ASN 107 Ca 0.00 0.94 -0.08 0.00 -0.71 0.00 0.00 52.86 53.02 3a3d s ASN 107 Cb 0.00 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 3a3d s ASN 107 CO 0.00 -0.48 0.08 -0.22 -1.51 0.00 0.00 177.10 174.98 3a3d s LEU 108 N -4.35 3.61 -0.20 0.60 2.96 -0.26 -4.42 118.68 116.62 3a3d s LEU 108 Ca 0.48 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.17 3a3d s LEU 108 Cb -0.10 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3a3d s LEU 108 CO 0.39 0.02 0.17 -0.63 -1.32 0.00 0.00 176.35 174.99 3a3d s ILE 109 N 1.27 5.37 -0.21 6.68 1.01 0.30 -0.65 121.20 134.99 3a3d s ILE 109 Ca 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 3a3d s ILE 109 Cb -0.15 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3a3d s ILE 109 CO 0.04 0.40 -0.11 -0.69 0.00 0.00 0.00 174.94 174.58 3a3d s VAL 110 N 0.60 2.76 -0.30 2.92 1.01 -0.03 -1.20 120.40 126.16 3a3d s VAL 110 Ca 0.10 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3a3d s VAL 110 Cb -0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3a3d s VAL 110 CO 0.01 0.44 0.23 -0.55 0.00 0.00 0.00 175.10 175.23 3a3d s SER 111 N 1.38 6.06 -0.08 3.32 0.15 0.39 -0.51 113.70 124.40 3a3d s SER 111 Ca 0.05 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.60 3a3d s SER 111 Cb -0.14 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 3a3d s SER 111 CO -0.07 -0.13 -0.11 -0.36 1.20 0.00 0.00 173.24 173.76 3a3d s PHE 112 N 1.79 2.81 -0.09 3.44 0.08 -0.37 -1.33 117.98 124.31 3a3d s PHE 112 Ca 0.08 -0.25 0.13 0.00 0.12 0.00 0.00 56.93 57.00 3a3d s PHE 112 Cb -0.16 -1.73 0.20 0.00 -0.57 0.00 0.00 43.02 40.75 3a3d s PHE 112 CO 0.11 0.10 1.09 0.25 -0.10 0.00 0.00 175.22 176.66 3a3d n THR 113 N 2.70 1.40 -0.25 0.64 -2.24 -1.23 -4.41 114.28 110.88 3a3d n THR 113 Ca -0.18 -1.65 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 3a3d n THR 113 Cb 0.53 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3a3d n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3d n GLY 114 N -1.03 0.87 3.60 3.38 0.00 -0.06 -4.90 105.19 107.04 3a3d n GLY 114 Ca 0.11 -0.06 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 3a3d n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a3d n ASP 115 N 0.12 2.70 -0.42 1.61 -0.08 -1.26 -4.79 116.55 114.43 3a3d n ASP 115 Ca 0.00 0.75 0.09 0.00 -1.51 0.00 0.00 54.79 54.13 3a3d n ASP 115 Cb 0.00 -1.28 0.39 0.00 2.34 0.00 0.00 41.12 42.56 3a3d n ASP 115 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3a3d n PRO 116 N 7.02 1.54 -0.81 -0.67 -0.04 -1.26 -3.81 135.00 136.98 3a3d n PRO 116 Ca 0.31 -0.82 0.05 0.00 -0.04 0.00 0.00 63.50 62.99 3a3d n PRO 116 Cb 0.24 -1.35 0.09 0.00 -0.04 0.00 0.00 33.50 32.44 3a3d n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3a3d n ASP 117 N 0.06 1.20 -4.68 3.54 2.03 -1.26 -4.70 116.55 112.73 3a3d n ASP 117 Ca 0.15 -2.70 -0.41 0.00 0.52 0.00 0.00 54.79 52.35 3a3d n ASP 117 Cb 0.25 -0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 40.25 3a3d n ASP 117 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3a3d s LEU 118 N -1.35 4.21 0.30 -2.67 2.96 -1.25 -4.98 118.68 115.90 3a3d s LEU 118 Ca 0.28 1.20 0.04 0.00 -0.22 0.00 0.00 54.13 55.42 3a3d s LEU 118 Cb 0.29 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 3a3d s LEU 118 CO -0.07 -0.34 0.45 0.42 -1.32 0.00 0.00 176.35 175.49 3a3d s THR 119 N 1.85 4.91 0.32 3.68 -4.23 -1.26 -1.34 115.64 119.57 3a3d s THR 119 Ca 0.39 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 3a3d s THR 119 Cb -0.17 -3.75 0.21 0.00 1.34 0.00 0.00 72.50 70.13 3a3d s THR 119 CO 0.14 -0.36 1.92 -0.09 -0.54 0.00 0.00 174.62 175.70 3a3d h ARG 120 N 0.95 0.78 -0.86 3.99 2.43 -1.95 -1.89 114.38 117.82 3a3d h ARG 120 Ca -0.50 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 58.56 3a3d h ARG 120 Cb 1.23 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3a3d h ARG 120 CO 0.59 0.62 0.50 0.78 -1.51 0.00 0.00 179.97 180.95 3a3d h GLY 121 N 0.89 1.27 1.18 2.80 0.00 -1.99 -1.17 103.07 106.05 3a3d h GLY 121 Ca 0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3a3d h GLY 121 CO -0.02 0.53 0.20 1.46 0.00 0.00 0.00 176.54 178.71 3a3d h GLN 122 N 1.19 1.03 -0.56 4.80 4.20 -1.86 0.17 115.11 124.09 3a3d h GLN 122 Ca 0.31 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3a3d h GLN 122 Cb -0.01 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3a3d h GLN 122 CO -0.05 0.88 0.05 1.25 -0.67 0.00 0.00 178.83 180.29 3a3d h LEU 123 N 0.99 0.87 -0.11 1.46 5.85 -0.89 -1.24 115.31 122.24 3a3d h LEU 123 Ca 0.22 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3a3d h LEU 123 Cb 0.29 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3a3d h LEU 123 CO -0.01 0.90 0.02 0.22 -0.34 0.00 0.00 178.44 179.24 3a3d h TYR 124 N 0.86 0.19 -0.68 1.25 3.20 -0.78 -0.75 116.97 120.25 3a3d h TYR 124 Ca 0.17 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3a3d h TYR 124 Cb 0.43 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3a3d h TYR 124 CO 0.03 0.36 0.42 0.77 -1.64 0.00 0.00 178.16 178.10 3a3d h SER 125 N -0.04 0.81 -0.01 -2.11 0.02 -0.50 -0.11 113.55 111.60 3a3d h SER 125 Ca 0.03 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3a3d h SER 125 Cb 0.27 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3a3d h SER 125 CO 0.00 0.62 -0.14 0.25 -1.14 0.00 0.00 176.83 176.42 3a3d h LEU 126 N 0.94 -0.41 -1.71 5.07 5.85 -0.91 -2.94 115.31 121.19 3a3d h LEU 126 Ca 0.25 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3a3d h LEU 126 Cb -0.05 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3a3d h LEU 126 CO -0.05 -0.20 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.63 3a3d h LEU 127 N -0.23 0.00 -1.70 2.25 3.38 -0.54 -1.73 115.31 116.74 3a3d h LEU 127 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3a3d h LEU 127 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3a3d h LEU 127 CO -0.15 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3a3d h ALA 128 N 1.84 1.00 -0.22 1.53 0.00 -0.86 -1.00 119.26 121.55 3a3d h ALA 128 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a3d h ALA 128 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3a3d h ALA 128 CO 0.02 0.00 0.14 0.93 0.00 0.00 0.00 179.25 180.34 3a3d h GLU 129 N 0.00 0.30 -0.43 0.00 4.39 -1.19 -1.00 114.58 116.64 3a3d h GLU 129 Ca 0.00 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3a3d h GLU 129 Cb 0.40 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3a3d h GLU 129 CO 0.00 0.20 0.02 -0.07 -1.16 0.00 0.00 179.01 178.00 3a3d h LEU 130 N 0.30 0.65 -0.39 1.33 3.38 -1.33 -2.20 115.31 117.05 3a3d h LEU 130 Ca 0.08 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 3a3d h LEU 130 Cb -0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3a3d h LEU 130 CO -0.02 0.70 -0.71 0.50 0.09 0.00 0.00 178.44 179.01 3a3d h LYS 131 N 0.65 0.49 -0.17 1.13 3.64 -1.34 -0.66 116.57 120.31 3a3d h LYS 131 Ca 0.14 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 3a3d h LYS 131 Cb 0.37 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3a3d h LYS 131 CO 0.01 1.01 -0.16 0.87 -2.27 0.00 0.00 179.45 178.91 3a3d h LYS 132 N 0.34 0.28 -0.41 1.90 1.57 -0.84 -0.70 116.57 118.72 3a3d h LYS 132 Ca -0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3a3d h LYS 132 Cb 1.29 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3a3d h LYS 132 CO 0.13 0.44 0.00 1.04 -0.57 0.00 0.00 179.45 180.49 3a3d n GLN 133 N -4.23 1.17 -0.97 3.15 6.02 -0.87 -4.91 117.38 116.74 3a3d n GLN 133 Ca -0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 3a3d n GLN 133 Cb 0.30 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3a3d n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a3d n GLY 134 N 0.37 0.39 3.66 1.08 0.00 -0.27 -4.98 105.19 105.44 3a3d n GLY 134 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3a3d n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3d s ILE 135 N -1.90 4.66 -0.20 -0.61 1.01 -0.29 -4.25 121.20 119.62 3a3d s ILE 135 Ca 0.00 1.99 0.12 0.00 0.00 0.00 0.00 60.65 62.77 3a3d s ILE 135 Cb 0.00 -4.32 -0.17 0.00 0.01 0.00 0.00 42.46 37.98 3a3d s ILE 135 CO 0.00 -0.21 0.35 0.29 0.00 0.00 0.00 174.94 175.37 3a3d n LYS 136 N 6.38 1.28 -3.69 2.79 5.02 0.24 -4.28 118.16 125.89 3a3d n LYS 136 Ca 0.12 -0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 3a3d n LYS 136 Cb 0.46 -1.22 -0.09 0.00 -0.02 0.00 0.00 35.03 34.17 3a3d n LYS 136 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3a3d s LYS 137 N -2.61 0.62 -0.20 1.97 2.20 -1.03 -1.29 119.74 119.39 3a3d s LYS 137 Ca -0.01 0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 56.25 3a3d s LYS 137 Cb 0.08 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 3a3d s LYS 137 CO 0.51 -0.08 0.00 0.42 -0.36 0.00 0.00 175.35 175.84 3a3d s ILE 138 N 0.24 3.94 -0.44 5.43 1.01 -0.07 -0.62 121.20 130.69 3a3d s ILE 138 Ca -0.00 -0.31 0.23 0.00 0.00 0.00 0.00 60.65 60.57 3a3d s ILE 138 Cb -0.04 -2.79 0.16 0.00 0.01 0.00 0.00 42.46 39.80 3a3d s ILE 138 CO 0.01 0.42 1.37 0.78 0.00 0.00 0.00 174.94 177.52 3a3d h ASN 139 N 7.56 0.00 0.00 3.58 -0.26 -1.19 -3.40 115.58 121.86 3a3d h ASN 139 Ca -0.36 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 3a3d h ASN 139 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 3a3d h ASN 139 CO 0.61 0.02 0.00 0.61 -1.06 0.00 0.00 177.43 177.61 3a3d n GLY 140 N 1.20 3.59 4.01 2.83 0.00 -0.69 -4.88 105.19 111.24 3a3d n GLY 140 Ca 0.03 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 3a3d n GLY 140 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a3d s ASP 141 N 0.03 5.61 -0.27 1.61 1.01 -1.26 -3.85 116.67 119.56 3a3d s ASP 141 Ca 0.00 -0.41 -0.08 0.00 0.71 0.00 0.00 52.55 52.77 3a3d s ASP 141 Cb 0.00 -0.64 -0.03 0.00 1.01 0.00 0.00 42.92 43.26 3a3d s ASP 141 CO 0.00 -0.81 0.11 -0.22 0.21 0.00 0.00 175.17 174.46 3a3d s LEU 142 N -4.39 3.68 -0.14 1.23 2.96 0.16 -1.10 118.68 121.08 3a3d s LEU 142 Ca 0.55 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3a3d s LEU 142 Cb -0.10 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 3a3d s LEU 142 CO 0.34 -0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.43 3a3d s VAL 143 N 1.64 2.49 -0.16 1.68 1.01 0.18 -0.83 120.40 126.41 3a3d s VAL 143 Ca 0.06 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 3a3d s VAL 143 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3a3d s VAL 143 CO 0.05 0.53 0.11 -0.76 0.00 0.00 0.00 175.10 175.04 3a3d s LEU 144 N 0.62 4.15 -0.26 3.92 1.43 -0.62 -0.85 118.68 127.07 3a3d s LEU 144 Ca -0.10 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 3a3d s LEU 144 Cb -0.16 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3a3d s LEU 144 CO 0.03 0.27 0.06 -0.62 0.23 0.00 0.00 176.35 176.32 3a3d s ASP 145 N -0.20 5.02 -0.11 2.29 -1.08 0.33 -4.19 116.67 118.73 3a3d s ASP 145 Ca 0.10 -0.37 0.15 0.00 -0.52 0.00 0.00 52.55 51.91 3a3d s ASP 145 Cb -0.12 -1.89 0.25 0.00 -1.46 0.00 0.00 42.92 39.71 3a3d s ASP 145 CO 0.01 -0.08 1.13 0.35 0.52 0.00 0.00 175.17 177.10 3a3d n THR 146 N 4.90 1.54 0.52 1.71 -2.24 -1.26 -1.24 114.28 118.20 3a3d n THR 146 Ca -0.16 -1.93 0.07 0.00 -2.27 0.00 0.00 64.05 59.76 3a3d n THR 146 Cb 0.50 -0.08 0.33 0.00 -2.10 0.00 0.00 70.33 68.99 3a3d n THR 146 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a3d n SER 147 N -1.10 0.02 0.24 3.42 3.41 -1.26 -2.77 113.62 115.58 3a3d n SER 147 Ca 0.13 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3a3d n SER 147 Cb 0.67 -0.51 0.51 0.00 -0.26 0.00 0.00 64.21 64.62 3a3d n SER 147 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3a3d h VAL 148 N 0.00 0.40 -3.44 -3.33 -1.51 -1.90 -3.42 116.25 103.05 3a3d h VAL 148 Ca 0.00 -0.96 -0.67 0.00 -1.23 0.00 0.00 66.70 63.84 3a3d h VAL 148 Cb 0.26 1.71 -0.15 0.00 -2.13 0.00 0.00 31.29 30.98 3a3d h VAL 148 CO 0.00 0.16 -0.67 -0.36 -1.23 0.00 0.00 177.57 175.47 3a3d s PHE 149 N -3.65 2.99 0.16 5.19 0.08 -1.11 -1.08 117.98 120.56 3a3d s PHE 149 Ca 0.01 0.02 0.06 0.00 0.12 0.00 0.00 56.93 57.14 3a3d s PHE 149 Cb 0.10 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3a3d s PHE 149 CO 0.61 0.43 -0.12 0.45 -0.10 0.00 0.00 175.22 176.50 3a3d s SER 150 N -1.62 2.10 0.86 1.36 0.15 -0.12 -4.72 113.70 111.71 3a3d s SER 150 Ca 0.20 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.86 3a3d s SER 150 Cb -0.11 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 3a3d s SER 150 CO 0.10 -0.24 0.00 -0.24 1.20 0.00 0.00 173.24 174.06 3a3d n SER 151 N -0.14 -2.47 -4.79 5.45 2.88 -1.26 -3.81 113.62 109.47 3a3d n SER 151 Ca -0.10 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.12 3a3d n SER 151 Cb 0.60 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.11 3a3d n SER 151 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3a3d s HIS 152 N 0.00 2.86 -0.47 0.66 3.76 -1.26 -4.94 115.29 115.90 3a3d s HIS 152 Ca 0.00 1.50 0.13 0.00 -0.15 0.00 0.00 55.06 56.54 3a3d s HIS 152 Cb 0.00 -3.00 0.73 0.00 1.11 0.00 0.00 32.58 31.42 3a3d s HIS 152 CO 0.00 -1.43 1.62 -0.25 -0.85 0.00 0.00 174.74 173.83 3a3d n ASP 153 N -2.85 5.14 -4.14 1.40 8.00 -1.26 -4.65 116.55 118.20 3a3d n ASP 153 Ca 0.09 -2.77 -0.22 0.00 0.71 0.00 0.00 54.79 52.60 3a3d n ASP 153 Cb 0.53 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.83 3a3d n ASP 153 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a3d s ARG 154 N -2.46 1.16 0.66 -1.24 0.52 -1.26 -3.84 118.95 112.49 3a3d s ARG 154 Ca 0.49 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 3a3d s ARG 154 Cb 0.36 -1.14 -0.00 0.00 0.52 0.00 0.00 34.95 34.69 3a3d s ARG 154 CO 0.16 0.30 1.08 0.20 0.02 0.00 0.00 175.30 177.07 3a3d s GLY 155 N -0.59 1.99 0.42 -3.53 0.00 -1.26 -4.95 107.32 99.40 3a3d s GLY 155 Ca 0.05 0.38 -0.24 0.00 0.00 0.00 0.00 44.72 44.92 3a3d s GLY 155 CO 0.00 0.72 1.10 1.08 0.00 0.00 0.00 173.10 175.99 3a3d s LEU 156 N -5.04 4.09 0.00 0.66 1.43 -1.26 -3.32 118.68 115.23 3a3d s LEU 156 Ca 0.64 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 3a3d s LEU 156 Cb -0.18 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.83 3a3d s LEU 156 CO 0.45 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3a3d n GLY 157 N 0.37 0.79 3.78 -3.19 0.00 -1.26 -4.65 105.19 101.02 3a3d n GLY 157 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3a3d n GLY 157 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a3d s TRP 158 N -3.07 3.12 0.11 1.61 0.52 -1.21 -0.90 118.94 119.11 3a3d s TRP 158 Ca 0.00 1.60 -0.29 0.00 0.02 0.00 0.00 56.10 57.43 3a3d s TRP 158 Cb 0.00 -3.24 -0.06 0.00 -1.15 0.00 0.00 33.47 29.02 3a3d s TRP 158 CO 0.00 -0.99 0.91 0.42 0.02 0.00 0.00 176.95 177.30 3a3d s ILE 159 N -1.59 4.52 0.23 2.03 1.01 -1.26 -4.96 121.20 121.18 3a3d s ILE 159 Ca 0.60 1.95 -0.05 0.00 0.00 0.00 0.00 60.65 63.15 3a3d s ILE 159 Cb -0.25 -4.27 0.11 0.00 0.01 0.00 0.00 42.46 38.06 3a3d s ILE 159 CO 0.31 0.35 1.74 4.11 0.00 0.00 0.00 174.94 181.45 3a3d h TRP 160 N 5.45 1.00 0.00 3.97 5.08 -2.02 -3.01 115.95 126.41 3a3d h TRP 160 Ca -0.43 -0.13 0.00 0.00 1.08 0.00 0.00 58.89 59.40 3a3d h TRP 160 Cb 1.21 -0.28 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 3a3d h TRP 160 CO 0.65 0.87 0.00 0.27 -1.28 0.00 0.00 178.44 178.94 3a3d n ASN 161 N -4.22 0.00 -0.01 0.11 6.94 -1.26 -1.74 115.26 115.08 3a3d n ASN 161 Ca 0.04 0.39 0.12 0.00 -0.02 0.00 0.00 54.58 55.10 3a3d n ASN 161 Cb 0.29 -0.46 0.22 0.00 -2.36 0.00 0.00 39.78 37.47 3a3d n ASN 161 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3a3d n ASP 162 N -1.46 0.56 0.16 0.53 8.00 -1.14 -4.31 116.55 118.90 3a3d n ASP 162 Ca 0.07 -0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.36 3a3d n ASP 162 Cb 0.27 0.31 0.57 0.00 -0.02 0.00 0.00 41.12 42.25 3a3d n ASP 162 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3a3d h LEU 163 N 0.04 0.00 -0.77 0.64 3.38 -1.43 -0.82 115.31 116.36 3a3d h LEU 163 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a3d h LEU 163 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3a3d h LEU 163 CO 0.00 0.00 -0.16 0.35 0.09 0.00 0.00 178.44 178.72 3a3d n THR 164 N -2.34 0.00 -2.86 0.22 -2.24 -1.26 -4.64 114.28 101.16 3a3d n THR 164 Ca 0.00 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 3a3d n THR 164 Cb 0.15 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3a3d n THR 164 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3a3d s MET 165 N -2.28 4.67 0.47 -0.78 -1.94 -0.31 -0.82 119.30 118.30 3a3d s MET 165 Ca 0.29 1.30 0.12 0.00 -1.71 0.00 0.00 55.69 55.70 3a3d s MET 165 Cb 0.20 -3.18 1.09 0.00 2.01 0.00 0.00 34.83 34.95 3a3d s MET 165 CO 0.44 0.50 2.11 0.00 -0.01 0.00 0.00 175.02 178.06 3a3d h PHE 167 N 0.24 0.00 -0.43 0.00 -5.15 -1.93 -1.66 116.94 108.01 3a3d h PHE 167 Ca 0.06 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.67 3a3d h PHE 167 Cb -0.02 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.05 3a3d h PHE 167 CO 0.00 0.02 0.05 -1.71 -2.00 0.00 0.00 178.31 174.67 3a3d n ASN 168 N -3.12 3.24 -4.73 -0.68 5.15 -0.24 -4.67 115.26 110.21 3a3d n ASN 168 Ca 0.00 -3.48 -0.35 0.00 -0.60 0.00 0.00 54.58 50.15 3a3d n ASN 168 Cb 0.28 -0.64 0.07 0.00 -0.53 0.00 0.00 39.78 38.96 3a3d n ASN 168 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3a3d s SER 169 N -2.09 4.53 0.11 1.20 1.04 -0.63 -4.85 113.70 113.01 3a3d s SER 169 Ca 0.46 2.43 -0.31 0.00 0.48 0.00 0.00 55.95 59.02 3a3d s SER 169 Cb 0.40 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.85 3a3d s SER 169 CO 0.05 -2.04 1.27 -2.16 0.98 0.00 0.00 173.24 171.34 3a3d s PRO 170 N -3.64 4.40 -1.40 4.02 0.04 -1.26 -4.79 135.00 132.36 3a3d s PRO 170 Ca 0.77 1.91 -0.08 0.00 0.04 0.00 0.00 61.00 63.64 3a3d s PRO 170 Cb -0.32 -3.28 0.07 0.00 0.04 0.00 0.00 34.50 31.01 3a3d s PRO 170 CO 0.41 -0.29 2.37 -0.35 0.04 0.00 0.00 177.00 179.18 3a3d n PRO 171 N 3.61 3.94 -2.18 0.56 -0.04 -1.25 -4.89 135.00 134.74 3a3d n PRO 171 Ca 0.09 -3.09 -0.27 0.00 -0.04 0.00 0.00 63.50 60.20 3a3d n PRO 171 Cb 0.44 -2.82 0.06 0.00 -0.04 0.00 0.00 33.50 31.14 3a3d n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a3d s ALA 172 N 0.52 3.10 0.19 0.55 0.00 -1.26 -4.60 121.76 120.26 3a3d s ALA 172 Ca 0.53 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 3a3d s ALA 172 Cb 0.16 -2.67 0.20 0.00 0.00 0.00 0.00 23.12 20.81 3a3d s ALA 172 CO -0.06 -1.25 1.76 0.00 0.00 0.00 0.00 175.76 176.21 3a3d h ALA 173 N -0.58 0.69 -2.68 0.00 0.00 -1.89 -3.38 119.26 111.41 3a3d h ALA 173 Ca -0.45 0.06 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 3a3d h ALA 173 Cb 1.30 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 3a3d h ALA 173 CO 0.61 -0.17 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 3a3d s ALA 174 N -6.11 3.57 -0.15 0.00 0.00 -1.26 -0.89 121.76 116.91 3a3d s ALA 174 Ca -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 3a3d s ALA 174 Cb 0.15 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.53 3a3d s ALA 174 CO 0.74 -0.55 0.17 1.21 0.00 0.00 0.00 175.76 177.33 3a3d s ASN 175 N 1.31 1.33 -0.08 0.00 3.84 -1.26 -4.84 114.94 115.24 3a3d s ASN 175 Ca 0.22 -0.09 0.04 0.00 0.21 0.00 0.00 52.86 53.24 3a3d s ASN 175 Cb -0.15 0.22 0.00 0.00 -0.55 0.00 0.00 41.25 40.77 3a3d s ASN 175 CO 0.09 -0.30 -0.21 -0.63 -2.79 0.00 0.00 177.10 173.26 3a3d s ILE 176 N 2.28 1.78 -1.41 -5.21 1.01 -1.26 -4.27 121.20 114.12 3a3d s ILE 176 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 3a3d s ILE 176 Cb -0.14 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.80 3a3d s ILE 176 CO -0.09 0.50 0.31 0.47 0.00 0.00 0.00 174.94 176.13 3a3d n ASP 177 N 3.46 -0.96 -1.35 3.58 8.00 -0.45 -1.31 116.55 127.52 3a3d n ASP 177 Ca -0.20 -1.21 -0.18 0.00 0.71 0.00 0.00 54.79 53.92 3a3d n ASP 177 Cb 0.53 -2.05 -0.08 0.00 -0.02 0.00 0.00 41.12 39.50 3a3d n ASP 177 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a3d n ASN 178 N -2.72 -5.12 -3.99 -2.24 3.02 -1.26 -2.71 115.26 100.24 3a3d n ASN 178 Ca -0.26 0.44 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 3a3d n ASN 178 Cb 0.66 -4.17 -0.00 0.00 -0.61 0.00 0.00 39.78 35.66 3a3d n ASN 178 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3a3d n ASN 179 N -0.84 -4.05 -4.21 6.41 5.03 -0.43 -4.82 115.26 112.35 3a3d n ASN 179 Ca -0.18 -0.84 -0.23 0.00 0.87 0.00 0.00 54.58 54.21 3a3d n ASN 179 Cb 0.58 -3.28 -0.14 0.00 -1.02 0.00 0.00 39.78 35.92 3a3d n ASN 179 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a3d n PHE 181 N 1.81 -0.44 -4.02 0.00 1.16 -0.45 -4.89 117.46 110.62 3a3d n PHE 181 Ca -0.18 -2.05 -0.08 0.00 -1.87 0.00 0.00 57.45 53.27 3a3d n PHE 181 Cb 0.54 0.17 -0.09 0.00 -1.61 0.00 0.00 39.48 38.49 3a3d n PHE 181 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 3a3d s TYR 182 N -2.94 0.43 0.20 2.97 -0.85 -1.26 -0.69 117.35 115.21 3a3d s TYR 182 Ca 0.27 -0.93 0.10 0.00 -0.52 0.00 0.00 57.07 55.99 3a3d s TYR 182 Cb 0.01 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 3a3d s TYR 182 CO 0.19 -0.44 -0.17 0.00 -1.52 0.00 0.00 175.55 173.60 3a3d s ALA 183 N -3.91 2.73 -0.23 9.51 0.00 -0.20 -4.39 121.76 125.26 3a3d s ALA 183 Ca 0.07 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 3a3d s ALA 183 Cb 0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3a3d s ALA 183 CO -0.10 0.43 0.28 -1.21 0.00 0.00 0.00 175.76 175.16 3a3d s GLU 184 N -2.82 4.09 -0.04 0.00 2.02 0.49 -1.19 118.70 121.25 3a3d s GLU 184 Ca 0.23 -0.07 0.05 0.00 0.02 0.00 0.00 54.97 55.21 3a3d s GLU 184 Cb -0.08 -3.56 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 3a3d s GLU 184 CO 0.13 -0.04 -0.17 -0.51 0.02 0.00 0.00 175.26 174.69 3a3d s LEU 185 N 1.34 2.58 -0.35 1.80 1.02 0.40 -0.67 118.68 124.79 3a3d s LEU 185 Ca 0.13 -0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.03 3a3d s LEU 185 Cb -0.14 -1.51 0.11 0.00 0.02 0.00 0.00 46.19 44.67 3a3d s LEU 185 CO 0.07 0.34 0.10 -0.62 0.02 0.00 0.00 176.35 176.25 3a3d s ASP 186 N -0.74 4.37 -0.27 2.29 -1.08 0.59 -1.44 116.67 120.39 3a3d s ASP 186 Ca 0.11 -2.07 0.12 0.00 -0.52 0.00 0.00 52.55 50.19 3a3d s ASP 186 Cb -0.10 -1.30 0.69 0.00 -1.46 0.00 0.00 42.92 40.75 3a3d s ASP 186 CO 0.00 -0.37 1.68 0.00 0.52 0.00 0.00 175.17 177.00 3a3d n ALA 187 N 4.32 4.05 -2.06 3.66 0.00 -1.26 -1.63 120.51 127.59 3a3d n ALA 187 Ca 0.02 -2.34 -0.42 0.00 0.00 0.00 0.00 53.44 50.70 3a3d n ALA 187 Cb 0.41 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3a3d n ALA 187 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a3d n ASN 188 N -0.18 4.33 -4.10 0.00 5.15 -0.87 -2.80 115.26 116.78 3a3d n ASN 188 Ca 0.33 -2.89 -0.09 0.00 -0.60 0.00 0.00 54.58 51.33 3a3d n ASN 188 Cb 1.21 -1.66 -0.10 0.00 -0.53 0.00 0.00 39.78 38.70 3a3d n ASN 188 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3a3d s LYS 189 N 3.11 0.84 0.59 1.20 1.02 -1.26 -5.04 119.74 120.19 3a3d s LYS 189 Ca 0.48 -1.33 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 3a3d s LYS 189 Cb 0.10 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 3a3d s LYS 189 CO -0.03 -0.23 1.06 -0.80 -0.92 0.00 0.00 175.35 174.43 3a3d s ASN 190 N -2.99 5.81 0.25 2.83 -0.87 -1.26 -4.80 114.94 113.91 3a3d s ASN 190 Ca 0.17 1.83 -0.31 0.00 -1.57 0.00 0.00 52.86 52.99 3a3d s ASN 190 Cb 0.07 -2.54 -0.13 0.00 -0.02 0.00 0.00 41.25 38.63 3a3d s ASN 190 CO -0.03 -1.15 1.36 -2.65 -2.57 0.00 0.00 177.10 172.07 3a3d n PRO 191 N -1.95 1.95 0.00 -0.60 -0.02 -1.26 -1.72 135.00 131.40 3a3d n PRO 191 Ca 0.09 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3a3d n PRO 191 Cb 0.53 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3a3d n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a3d n GLY 192 N 1.96 3.29 3.91 -1.23 0.00 0.70 -4.96 105.19 108.85 3a3d n GLY 192 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3a3d n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3d s GLU 193 N -0.79 3.20 -0.11 1.61 2.02 -0.70 -4.77 118.70 119.16 3a3d s GLU 193 Ca 0.00 0.10 -0.20 0.00 0.02 0.00 0.00 54.97 54.89 3a3d s GLU 193 Cb 0.00 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3a3d s GLU 193 CO 0.00 -0.48 0.56 0.42 0.02 0.00 0.00 175.26 175.78 3a3d s ILE 194 N -2.89 5.13 0.31 -1.63 -1.09 -1.26 -1.27 121.20 118.50 3a3d s ILE 194 Ca 0.51 1.12 -0.29 0.00 -2.23 0.00 0.00 60.65 59.76 3a3d s ILE 194 Cb -0.10 -3.90 -0.11 0.00 -1.58 0.00 0.00 42.46 36.77 3a3d s ILE 194 CO 0.45 0.28 1.47 -0.69 -1.23 0.00 0.00 174.94 175.22 3a3d s VAL 195 N 0.84 2.32 -0.18 2.92 1.01 0.63 -4.93 120.40 123.02 3a3d s VAL 195 Ca 0.30 0.29 -0.24 0.00 0.00 0.00 0.00 61.98 62.33 3a3d s VAL 195 Cb -0.16 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3a3d s VAL 195 CO 0.13 0.06 0.78 -0.75 0.00 0.00 0.00 175.10 175.31 3a3d s LYS 196 N -1.18 4.27 -0.28 2.72 2.20 -0.65 -4.64 119.74 122.19 3a3d s LYS 196 Ca 0.57 0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 57.08 3a3d s LYS 196 Cb -0.45 -3.58 0.09 0.00 -1.51 0.00 0.00 37.83 32.38 3a3d s LYS 196 CO 0.52 -0.30 0.06 0.42 -0.36 0.00 0.00 175.35 175.69 3a3d s ILE 197 N 2.09 1.03 -0.01 5.43 1.01 -1.26 -0.30 121.20 129.19 3a3d s ILE 197 Ca 0.36 -1.29 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3a3d s ILE 197 Cb -0.16 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3a3d s ILE 197 CO 0.12 -0.49 -0.16 0.20 0.00 0.00 0.00 174.94 174.61 3a3d s ASN 198 N 1.57 3.94 -0.15 3.58 0.01 0.16 -4.93 114.94 119.11 3a3d s ASN 198 Ca 0.05 -0.29 -0.19 0.00 -0.71 0.00 0.00 52.86 51.72 3a3d s ASN 198 Cb -0.18 -0.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 3a3d s ASN 198 CO -0.17 0.31 0.54 -0.69 -1.51 0.00 0.00 177.10 175.58 3a3d s VAL 199 N -0.81 5.12 0.63 1.60 1.01 -1.26 -0.38 120.40 126.31 3a3d s VAL 199 Ca 0.13 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 3a3d s VAL 199 Cb -0.11 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3a3d s VAL 199 CO 0.03 0.24 1.07 -2.65 0.00 0.00 0.00 175.10 173.78 3a3d n PRO 200 N 4.26 0.90 0.17 2.72 -0.02 -1.26 -4.89 135.00 136.88 3a3d n PRO 200 Ca -0.05 0.36 0.16 0.00 -2.02 0.00 0.00 63.50 61.95 3a3d n PRO 200 Cb 0.51 -2.29 0.75 0.00 -0.02 0.00 0.00 33.50 32.45 3a3d n PRO 200 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3d h ALA 201 N 0.38 2.02 0.00 3.55 0.00 -1.98 -1.38 119.26 121.85 3a3d h ALA 201 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3a3d h ALA 201 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3a3d h ALA 201 CO 0.51 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3a3d n GLN 202 N -4.13 0.12 -4.47 0.00 0.00 -1.26 -4.78 117.38 102.85 3a3d n GLN 202 Ca 0.02 0.29 -0.34 0.00 0.00 0.00 0.00 57.00 56.98 3a3d n GLN 202 Cb 0.33 -1.70 -0.12 0.00 0.00 0.00 0.00 30.24 28.75 3a3d n GLN 202 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3a3d s PHE 203 N -3.15 2.99 -1.31 2.61 0.08 -0.52 -5.00 117.98 113.68 3a3d s PHE 203 Ca 0.07 -0.31 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 3a3d s PHE 203 Cb 0.11 -1.92 0.14 0.00 -0.57 0.00 0.00 43.02 40.78 3a3d s PHE 203 CO 0.39 -0.02 2.07 -0.35 -0.10 0.00 0.00 175.22 177.21 3a3d n PRO 204 N 3.39 3.83 -4.09 0.24 -0.04 -1.26 -4.87 135.00 132.19 3a3d n PRO 204 Ca -0.18 -3.41 -0.13 0.00 -0.04 0.00 0.00 63.50 59.74 3a3d n PRO 204 Cb 0.53 -2.86 -0.11 0.00 -0.04 0.00 0.00 33.50 31.01 3a3d n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3a3d s ILE 205 N 0.20 0.63 -0.06 0.52 -1.09 -1.26 -4.91 121.20 115.23 3a3d s ILE 205 Ca 0.45 -1.23 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 3a3d s ILE 205 Cb 0.12 -0.82 -0.02 0.00 -1.58 0.00 0.00 42.46 40.16 3a3d s ILE 205 CO -0.03 -0.44 -0.17 -1.10 -1.23 0.00 0.00 174.94 171.97 3a3d s GLN 206 N -1.93 2.61 -0.16 2.79 -1.52 -0.85 -4.95 119.66 115.66 3a3d s GLN 206 Ca -0.06 -0.76 -0.01 0.00 -1.95 0.00 0.00 55.36 52.59 3a3d s GLN 206 Cb -0.08 -2.34 -0.01 0.00 -0.22 0.00 0.00 33.01 30.36 3a3d s GLN 206 CO -0.00 0.51 -0.12 0.08 -0.25 0.00 0.00 175.29 175.51 3a3d s VAL 207 N -0.44 2.93 0.24 1.09 1.01 -1.26 -0.77 120.40 123.20 3a3d s VAL 207 Ca 0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3a3d s VAL 207 Cb -0.12 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3a3d s VAL 207 CO 0.02 0.50 0.04 0.72 0.00 0.00 0.00 175.10 176.37 3a3d s PHE 208 N 0.82 1.53 0.00 5.22 -0.12 0.17 -4.96 117.98 120.66 3a3d s PHE 208 Ca -0.04 -1.03 0.00 0.00 -0.05 0.00 0.00 56.93 55.81 3a3d s PHE 208 Cb -0.15 -0.91 0.00 0.00 -0.63 0.00 0.00 43.02 41.33 3a3d s PHE 208 CO 0.00 -0.16 0.00 0.41 -0.05 0.00 0.00 175.22 175.42 3a3d n GLY 209 N -0.43 -2.84 2.90 1.99 0.00 -1.26 -0.30 105.19 105.25 3a3d n GLY 209 Ca -0.03 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 3a3d n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a3d s GLN 210 N -0.61 0.14 -0.07 1.61 -0.21 -1.06 -4.80 119.66 114.67 3a3d s GLN 210 Ca 0.00 -0.07 0.04 0.00 0.02 0.00 0.00 55.36 55.35 3a3d s GLN 210 Cb 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.88 3a3d s GLN 210 CO 0.00 0.04 -0.20 0.08 -2.12 0.00 0.00 175.29 173.09 3a3d s VAL 211 N -0.06 1.69 0.15 1.09 1.01 -1.26 -3.86 120.40 119.16 3a3d s VAL 211 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3a3d s VAL 211 Cb -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3a3d s VAL 211 CO -0.00 0.48 0.08 -0.72 0.00 0.00 0.00 175.10 174.93 3a3d s TYR 212 N 0.25 3.06 -0.04 5.22 -0.85 -0.77 -0.27 117.35 123.96 3a3d s TYR 212 Ca -0.12 -0.04 -0.25 0.00 -0.52 0.00 0.00 57.07 56.15 3a3d s TYR 212 Cb -0.15 -1.50 -0.04 0.00 0.38 0.00 0.00 41.96 40.65 3a3d s TYR 212 CO 0.05 0.51 0.77 0.08 -1.52 0.00 0.00 175.55 175.45 3a3d s VAL 213 N -1.64 4.96 -0.03 -3.49 1.01 -0.40 -2.17 120.40 118.65 3a3d s VAL 213 Ca 0.29 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.78 3a3d s VAL 213 Cb -0.10 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3a3d s VAL 213 CO 0.21 0.25 0.28 0.00 0.00 0.00 0.00 175.10 175.84 3a3d s ALA 214 N 0.72 3.80 1.00 5.51 0.00 0.31 -0.22 121.76 132.88 3a3d s ALA 214 Ca 0.41 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 3a3d s ALA 214 Cb -0.19 -2.15 0.19 0.00 0.00 0.00 0.00 23.12 20.97 3a3d s ALA 214 CO 0.21 0.58 1.08 0.16 0.00 0.00 0.00 175.76 177.79 3a3d s ASP 215 N -1.32 2.55 0.50 0.00 1.47 -1.26 -4.01 116.67 114.59 3a3d s ASP 215 Ca 0.23 1.44 0.40 0.00 1.18 0.00 0.00 52.55 55.80 3a3d s ASP 215 Cb -0.14 -2.12 1.59 0.00 -0.34 0.00 0.00 42.92 41.92 3a3d s ASP 215 CO 0.12 -3.21 1.60 0.77 0.68 0.00 0.00 175.17 175.13 3a3d h SER 216 N -1.94 0.11 1.36 2.11 4.64 -1.99 0.71 113.55 118.55 3a3d h SER 216 Ca -0.54 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3a3d h SER 216 Cb 1.31 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3a3d h SER 216 CO 0.54 -0.11 -0.32 0.78 -0.87 0.00 0.00 176.83 176.85 3a3d h ASN 217 N 0.02 0.00 0.00 4.97 -0.26 -2.05 -3.34 115.58 114.92 3a3d h ASN 217 Ca 0.88 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 56.52 3a3d h ASN 217 Cb 3.16 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 40.41 3a3d h ASN 217 CO -0.23 0.03 -1.51 1.21 -1.06 0.00 0.00 177.43 175.87 3a3d n GLU 218 N -2.48 0.74 -0.34 0.81 2.13 -0.61 -4.74 120.64 116.16 3a3d n GLU 218 Ca 0.04 -0.08 0.19 0.00 0.66 0.00 0.00 57.16 57.97 3a3d n GLU 218 Cb 0.47 -1.25 0.42 0.00 0.27 0.00 0.00 31.44 31.35 3a3d n GLU 218 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a3d h ALA 219 N 0.86 1.92 0.00 4.31 0.00 0.27 -0.61 119.26 126.01 3a3d h ALA 219 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a3d h ALA 219 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3a3d h ALA 219 CO 0.00 -0.36 0.00 -1.35 0.00 0.00 0.00 179.25 177.55 3a3d h PRO 220 N 0.55 0.00 0.00 0.00 0.11 -1.83 -3.01 132.00 127.81 3a3d h PRO 220 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 3a3d h PRO 220 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3a3d h PRO 220 CO -0.40 0.00 -0.56 0.66 -0.21 0.00 0.00 178.00 177.49 3a3d n TYR 221 N -2.69 0.58 -1.78 0.65 0.53 -0.25 -5.02 117.16 109.18 3a3d n TYR 221 Ca 0.03 0.17 -0.40 0.00 -1.02 0.00 0.00 57.90 56.67 3a3d n TYR 221 Cb 0.35 -0.67 0.01 0.00 -1.03 0.00 0.00 39.34 37.99 3a3d n TYR 221 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3a3d s GLN 223 N -2.27 1.04 -0.29 0.00 -0.21 -1.26 -4.98 119.66 111.70 3a3d s GLN 223 Ca 0.57 -0.46 -0.15 0.00 0.02 0.00 0.00 55.36 55.34 3a3d s GLN 223 Cb -0.46 -1.01 -0.03 0.00 1.00 0.00 0.00 33.01 32.51 3a3d s GLN 223 CO 0.61 0.28 0.38 -1.17 -2.12 0.00 0.00 175.29 173.26 3a3d s LEU 224 N -0.30 4.14 0.03 2.90 2.96 -1.25 -2.25 118.68 124.91 3a3d s LEU 224 Ca 0.05 0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 3a3d s LEU 224 Cb -0.05 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 3a3d s LEU 224 CO -0.00 -0.23 0.29 -1.81 -1.32 0.00 0.00 176.35 173.27 3a3d s ASP 225 N 1.67 6.50 -0.09 3.68 1.01 0.00 -4.96 116.67 124.48 3a3d s ASP 225 Ca 0.14 0.56 0.00 0.00 0.71 0.00 0.00 52.55 53.97 3a3d s ASP 225 Cb -0.16 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.71 3a3d s ASP 225 CO 0.11 0.21 -0.08 -0.69 0.21 0.00 0.00 175.17 174.93 3a3d s VAL 226 N -1.37 0.97 -0.16 -1.27 1.01 -1.26 -1.70 120.40 116.62 3a3d s VAL 226 Ca 0.30 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3a3d s VAL 226 Cb -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3a3d s VAL 226 CO 0.18 0.34 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 3a3d s VAL 227 N 1.36 2.46 0.01 2.92 1.01 0.11 -4.96 120.40 123.30 3a3d s VAL 227 Ca -0.02 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 3a3d s VAL 227 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3a3d s VAL 227 CO -0.04 0.52 0.87 -0.69 0.00 0.00 0.00 175.10 175.76 3a3d s VAL 228 N 0.92 4.82 0.45 2.92 1.01 -1.26 -0.82 120.40 128.44 3a3d s VAL 228 Ca -0.04 1.83 0.05 0.00 0.00 0.00 0.00 61.98 63.83 3a3d s VAL 228 Cb -0.15 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 3a3d s VAL 228 CO -0.02 0.25 0.09 -1.00 0.00 0.00 0.00 175.10 174.41 3a3d s HIS 229 N 0.58 2.31 0.81 5.22 3.76 -0.01 -4.98 115.29 122.98 3a3d s HIS 229 Ca 0.45 -0.73 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 3a3d s HIS 229 Cb -0.20 -1.80 0.06 0.00 1.11 0.00 0.00 32.58 31.74 3a3d s HIS 229 CO 0.25 0.24 1.02 -0.25 -0.85 0.00 0.00 174.74 175.15 3a3d n ASP 230 N -1.19 0.37 -3.56 1.40 8.00 -1.26 -3.29 116.55 117.02 3a3d n ASP 230 Ca -0.07 0.56 -0.22 0.00 0.71 0.00 0.00 54.79 55.77 3a3d n ASP 230 Cb 0.66 -1.43 0.08 0.00 -0.02 0.00 0.00 41.12 40.41 3a3d n ASP 230 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a3d n ASN 231 N -2.59 -5.30 -3.74 -2.24 5.03 -1.26 -3.13 115.26 102.03 3a3d n ASN 231 Ca 0.12 -0.56 -0.22 0.00 0.87 0.00 0.00 54.58 54.79 3a3d n ASN 231 Cb 0.51 -5.05 0.03 0.00 -1.02 0.00 0.00 39.78 34.25 3a3d n ASN 231 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3a3d n ASN 232 N -3.05 -1.52 -4.41 6.41 5.03 -1.25 -4.78 115.26 111.70 3a3d n ASN 232 Ca -0.06 -0.82 -0.34 0.00 0.87 0.00 0.00 54.58 54.23 3a3d n ASN 232 Cb 0.59 -3.99 -0.13 0.00 -1.02 0.00 0.00 39.78 35.23 3a3d n ASN 232 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3a3d s ARG 233 N -6.08 3.50 -0.16 3.52 0.52 -1.18 -2.00 118.95 117.06 3a3d s ARG 233 Ca 0.08 -0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 3a3d s ARG 233 Cb -0.04 -2.81 -0.00 0.00 0.52 0.00 0.00 34.95 32.62 3a3d s ARG 233 CO 0.82 0.15 -0.14 0.71 0.02 0.00 0.00 175.30 176.86 3a3d s TYR 234 N 0.56 2.81 -0.19 -0.53 2.02 0.05 -0.83 117.35 121.25 3a3d s TYR 234 Ca -0.05 -1.00 -0.16 0.00 -0.37 0.00 0.00 57.07 55.49 3a3d s TYR 234 Cb -0.15 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 3a3d s TYR 234 CO 0.03 -0.46 0.38 -1.14 -1.57 0.00 0.00 175.55 172.79 3a3d s GLN 235 N 0.85 4.19 0.05 -0.62 0.74 0.00 -0.65 119.66 124.22 3a3d s GLN 235 Ca -0.04 0.19 0.02 0.00 0.05 0.00 0.00 55.36 55.58 3a3d s GLN 235 Cb -0.15 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 3a3d s GLN 235 CO -0.00 0.02 0.05 0.14 -0.55 0.00 0.00 175.29 174.94 3a3d s VAL 236 N 1.14 4.39 0.14 1.34 -7.23 0.59 -0.72 120.40 120.05 3a3d s VAL 236 Ca 0.19 -0.72 -0.15 0.00 -1.81 0.00 0.00 61.98 59.49 3a3d s VAL 236 Cb -0.14 -3.06 0.03 0.00 0.56 0.00 0.00 36.38 33.76 3a3d s VAL 236 CO 0.07 0.21 0.39 -0.54 -0.31 0.00 0.00 175.10 174.93 3a3d s LYS 237 N -2.10 1.12 0.00 4.82 1.02 -0.69 -2.56 119.74 121.36 3a3d s LYS 237 Ca 0.26 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3a3d s LYS 237 Cb -0.12 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 3a3d s LYS 237 CO 0.18 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 3a3d n GLY 238 N -0.23 -0.73 3.36 -3.33 0.00 -1.25 -0.82 105.19 102.19 3a3d n GLY 238 Ca -0.14 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 3a3d n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3d s LEU 240 N -3.07 0.97 0.50 0.00 1.43 -0.92 -3.87 118.68 113.72 3a3d s LEU 240 Ca 0.28 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 3a3d s LEU 240 Cb 0.04 1.22 -0.08 0.00 0.03 0.00 0.00 46.19 47.39 3a3d s LEU 240 CO 0.08 -0.51 1.00 0.00 0.23 0.00 0.00 176.35 177.15 3a3d s ALA 241 N -1.89 2.97 0.36 4.21 0.00 -1.26 -0.53 121.76 125.62 3a3d s ALA 241 Ca -0.10 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 3a3d s ALA 241 Cb -0.03 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 3a3d s ALA 241 CO 0.01 -0.23 1.00 -2.13 0.00 0.00 0.00 175.76 174.40 3a3d n ARG 242 N -1.24 1.35 -4.19 0.00 0.63 -1.26 -4.86 116.66 107.09 3a3d n ARG 242 Ca 0.08 0.48 -0.19 0.00 -0.92 0.00 0.00 57.85 57.29 3a3d n ARG 242 Cb 0.53 -1.95 -0.16 0.00 0.45 0.00 0.00 32.46 31.34 3a3d n ARG 242 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3a3d s GLN 243 N -1.80 0.77 0.22 -0.14 -0.21 -1.12 -5.01 119.66 112.38 3a3d s GLN 243 Ca 0.61 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.88 3a3d s GLN 243 Cb -0.62 -0.77 0.21 0.00 1.00 0.00 0.00 33.01 32.84 3a3d s GLN 243 CO 0.59 -0.03 1.54 1.88 -2.12 0.00 0.00 175.29 177.15 3a3d h TYR 244 N 6.90 0.39 -2.77 0.91 0.05 -1.95 -2.32 116.97 118.17 3a3d h TYR 244 Ca -0.37 -0.15 -0.65 0.00 0.05 0.00 0.00 58.73 57.61 3a3d h TYR 244 Cb 1.16 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.77 3a3d h TYR 244 CO 0.48 0.83 -0.49 0.15 -1.05 0.00 0.00 178.16 178.08 3a3d s LYS 245 N -3.80 3.42 0.39 4.88 1.02 -1.26 -4.67 119.74 119.72 3a3d s LYS 245 Ca -0.05 -0.27 -0.27 0.00 0.02 0.00 0.00 55.97 55.40 3a3d s LYS 245 Cb 0.12 -3.11 -0.10 0.00 -0.52 0.00 0.00 37.83 34.21 3a3d s LYS 245 CO 0.81 0.71 1.42 -1.25 -0.92 0.00 0.00 175.35 176.12 3a3d s PRO 246 N -1.65 4.03 0.18 -1.68 0.04 -1.26 -4.73 135.00 129.93 3a3d s PRO 246 Ca 0.23 2.43 -0.05 0.00 0.04 0.00 0.00 61.00 63.66 3a3d s PRO 246 Cb -0.12 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3a3d s PRO 246 CO 0.14 -0.55 0.20 -0.59 0.04 0.00 0.00 177.00 176.25 3a3d s PHE 247 N -1.16 0.80 0.03 0.56 -0.12 -0.52 -4.98 117.98 112.59 3a3d s PHE 247 Ca 0.55 -1.11 0.05 0.00 -0.05 0.00 0.00 56.93 56.36 3a3d s PHE 247 Cb -0.44 -0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 41.61 3a3d s PHE 247 CO 0.58 -0.69 -0.09 0.20 -0.05 0.00 0.00 175.22 175.17 3a3d s GLY 248 N -3.07 1.73 -0.06 1.99 0.00 -1.26 -0.46 107.32 106.20 3a3d s GLY 248 Ca 0.28 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.97 3a3d s GLY 248 CO 0.07 -0.98 -0.22 1.08 0.00 0.00 0.00 173.10 173.05 3a3d s LEU 249 N -1.58 2.01 0.12 0.66 1.43 -0.33 -4.95 118.68 116.03 3a3d s LEU 249 Ca 0.18 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3a3d s LEU 249 Cb -0.11 -1.23 -0.06 0.00 0.03 0.00 0.00 46.19 44.83 3a3d s LEU 249 CO 0.09 0.20 0.39 -0.44 0.23 0.00 0.00 176.35 176.81 3a3d s SER 250 N -0.01 6.54 0.06 2.29 0.01 -1.26 -1.03 113.70 120.29 3a3d s SER 250 Ca -0.06 0.66 0.01 0.00 1.31 0.00 0.00 55.95 57.88 3a3d s SER 250 Cb -0.14 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 3a3d s SER 250 CO 0.04 0.09 -0.06 -0.36 0.41 0.00 0.00 173.24 173.36 3a3d s PHE 251 N -1.57 0.65 0.11 2.43 0.08 0.14 -4.51 117.98 115.31 3a3d s PHE 251 Ca 0.38 -0.72 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 3a3d s PHE 251 Cb -0.13 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.86 3a3d s PHE 251 CO 0.22 -0.16 1.03 0.00 -0.10 0.00 0.00 175.22 176.21 3a3d s ALA 252 N -2.47 3.29 0.25 5.36 0.00 -0.00 -1.34 121.76 126.85 3a3d s ALA 252 Ca -0.02 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 3a3d s ALA 252 Cb -0.03 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3a3d s ALA 252 CO -0.03 -0.15 1.44 0.08 0.00 0.00 0.00 175.76 177.10 3a3d s VAL 253 N 0.19 2.64 -0.24 0.00 1.01 0.59 -4.86 120.40 119.74 3a3d s VAL 253 Ca 0.50 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 3a3d s VAL 253 Cb -0.25 -3.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.62 3a3d s VAL 253 CO 0.31 0.09 -0.03 0.00 0.00 0.00 0.00 175.10 175.46 3a3d n GLN 254 N 2.26 0.58 -3.32 2.72 1.13 -1.26 -4.40 117.38 115.09 3a3d n GLN 254 Ca 0.06 0.44 -0.46 0.00 -1.94 0.00 0.00 57.00 55.10 3a3d n GLN 254 Cb 0.40 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 3a3d n GLN 254 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3a3d s ASN 255 N -7.14 6.45 0.27 1.08 3.84 -1.26 -4.92 114.94 113.27 3a3d s ASN 255 Ca -0.33 -2.21 0.10 0.00 0.21 0.00 0.00 52.86 50.63 3a3d s ASN 255 Cb 0.10 -2.21 0.34 0.00 -0.55 0.00 0.00 41.25 38.93 3a3d s ASN 255 CO 0.55 -0.73 1.60 0.71 -2.79 0.00 0.00 177.10 176.45 3a3d h THR 256 N 5.37 1.44 -0.13 -5.21 1.35 -1.90 -2.11 112.91 111.73 3a3d h THR 256 Ca -0.11 -2.12 -0.05 0.00 -0.55 0.00 0.00 66.41 63.58 3a3d h THR 256 Cb 1.07 2.14 -0.00 0.00 -1.73 0.00 0.00 68.15 69.63 3a3d h THR 256 CO 0.91 0.61 -0.11 0.44 -0.25 0.00 0.00 175.52 177.12 3a3d h ASP 257 N 0.01 0.32 -0.86 5.36 3.32 -1.91 -0.94 116.42 121.73 3a3d h ASP 257 Ca -0.01 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3a3d h ASP 257 Cb 1.10 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 3a3d h ASP 257 CO 0.08 0.71 0.43 0.00 -1.72 0.00 0.00 179.24 178.75 3a3d h ALA 258 N 0.62 1.14 -0.22 3.45 0.00 -1.97 -1.16 119.26 121.12 3a3d h ALA 258 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3a3d h ALA 258 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a3d h ALA 258 CO 0.03 0.66 0.02 -0.92 0.00 0.00 0.00 179.25 179.04 3a3d h TYR 259 N 1.22 0.40 -0.72 0.00 3.20 -1.36 -1.42 116.97 118.29 3a3d h TYR 259 Ca 0.30 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3a3d h TYR 259 Cb 0.08 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3a3d h TYR 259 CO 0.01 0.53 0.28 0.00 -1.64 0.00 0.00 178.16 177.34 3a3d h ALA 260 N 0.82 0.94 -0.65 1.82 0.00 -1.03 -1.38 119.26 119.78 3a3d h ALA 260 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3a3d h ALA 260 Cb 0.36 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3a3d h ALA 260 CO 0.01 0.58 0.16 0.00 0.00 0.00 0.00 179.25 179.99 3a3d h ALA 261 N 1.13 1.06 -0.26 0.00 0.00 -1.11 0.48 119.26 120.56 3a3d h ALA 261 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3a3d h ALA 261 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3a3d h ALA 261 CO -0.02 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.90 3a3d h ALA 262 N 1.19 0.34 -0.24 0.00 0.00 -0.92 -1.79 119.26 117.84 3a3d h ALA 262 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3a3d h ALA 262 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3a3d h ALA 262 CO 0.00 0.02 0.07 0.82 0.00 0.00 0.00 179.25 180.17 3a3d h ILE 263 N 0.24 1.20 -0.55 0.00 2.04 -0.96 -2.04 117.51 117.44 3a3d h ILE 263 Ca 0.08 -0.63 0.10 0.00 1.00 0.00 0.00 64.86 65.41 3a3d h ILE 263 Cb 0.33 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 3a3d h ILE 263 CO 0.00 0.20 0.10 0.40 0.00 0.00 0.00 178.15 178.85 3a3d h ILE 264 N 0.22 0.66 -0.36 -0.67 2.04 -0.82 -0.34 117.51 118.24 3a3d h ILE 264 Ca 0.08 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 3a3d h ILE 264 Cb 0.24 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3a3d h ILE 264 CO -0.00 0.04 -0.21 1.56 0.00 0.00 0.00 178.15 179.54 3a3d h GLN 265 N 0.23 0.70 -1.01 2.37 4.20 -1.19 0.19 115.11 120.60 3a3d h GLN 265 Ca 0.28 -0.27 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3a3d h GLN 265 Cb 0.41 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 3a3d h GLN 265 CO -0.38 0.85 0.66 0.00 -0.67 0.00 0.00 178.83 179.29 3a3d h ARG 266 N 0.61 1.21 -0.08 1.46 3.08 -0.76 -2.35 114.38 117.56 3a3d h ARG 266 Ca 0.09 -0.07 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 3a3d h ARG 266 Cb 0.69 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 30.48 3a3d h ARG 266 CO 0.05 0.80 -0.85 1.96 -1.07 0.00 0.00 179.97 180.86 3a3d h GLN 267 N 1.25 0.62 -0.71 0.04 4.20 -0.45 -1.85 115.11 118.21 3a3d h GLN 267 Ca 0.41 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3a3d h GLN 267 Cb 0.05 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3a3d h GLN 267 CO -0.14 1.18 0.31 -0.07 -0.67 0.00 0.00 178.83 179.44 3a3d h LEU 268 N 0.40 0.93 -0.13 1.46 3.38 -0.82 -0.46 115.31 120.07 3a3d h LEU 268 Ca -0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3a3d h LEU 268 Cb 1.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3a3d h LEU 268 CO 0.16 0.81 0.06 0.03 0.09 0.00 0.00 178.44 179.59 3a3d h ARG 269 N 1.01 0.19 -0.61 1.13 3.08 -1.23 0.69 114.38 118.63 3a3d h ARG 269 Ca 0.24 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.32 3a3d h ARG 269 Cb 0.15 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3a3d h ARG 269 CO -0.03 0.26 0.41 -0.22 -1.07 0.00 0.00 179.97 179.32 3a3d h LYS 270 N 0.08 0.59 0.00 0.04 3.64 -0.94 -1.76 116.57 118.22 3a3d h LYS 270 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3a3d h LYS 270 Cb 0.13 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3a3d h LYS 270 CO -0.01 0.39 0.00 1.28 -2.27 0.00 0.00 179.45 178.84 3a3d n LEU 271 N -4.48 0.00 -0.87 5.20 4.77 -0.22 -4.90 117.00 116.50 3a3d n LEU 271 Ca 0.09 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 3a3d n LEU 271 Cb 0.23 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3a3d n LEU 271 CO 0.34 -0.00 -0.11 0.61 -1.33 0.00 0.00 177.39 176.90 3a3d n GLY 272 N 1.27 1.23 3.56 -0.72 0.00 -0.66 -5.00 105.19 104.86 3a3d n GLY 272 Ca 0.14 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3a3d n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3d s ILE 273 N -2.42 4.94 0.18 -0.61 1.01 0.16 -4.83 121.20 119.63 3a3d s ILE 273 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.74 3a3d s ILE 273 Cb 0.00 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3a3d s ILE 273 CO 0.00 -0.31 1.52 -0.70 0.00 0.00 0.00 174.94 175.46 3a3d s GLU 274 N 2.57 4.23 -0.12 2.79 2.12 -0.41 -4.30 118.70 125.59 3a3d s GLU 274 Ca 0.21 2.32 -0.06 0.00 0.36 0.00 0.00 54.97 57.81 3a3d s GLU 274 Cb -0.15 -3.15 0.05 0.00 0.26 0.00 0.00 34.13 31.14 3a3d s GLU 274 CO 0.15 -0.55 0.28 0.12 -0.54 0.00 0.00 175.26 174.71 3a3d s PHE 275 N 0.87 -0.39 -0.04 5.30 5.36 -1.26 -0.89 117.98 126.93 3a3d s PHE 275 Ca 0.67 0.89 0.16 0.00 -0.96 0.00 0.00 56.93 57.70 3a3d s PHE 275 Cb -0.43 0.08 0.30 0.00 -0.34 0.00 0.00 43.02 42.63 3a3d s PHE 275 CO 0.34 -0.27 1.13 0.09 -1.46 0.00 0.00 175.22 175.05 3a3d n ASN 276 N 4.35 0.91 -1.91 6.13 3.02 -1.26 -5.06 115.26 121.43 3a3d n ASN 276 Ca -0.23 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 3a3d n ASN 276 Cb 0.53 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3a3d n ASN 276 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3d n GLY 277 N 0.02 2.64 3.96 7.41 0.00 -1.25 -5.07 105.19 112.90 3a3d n GLY 277 Ca 0.07 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 3a3d n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a3d s LYS 278 N -1.80 2.81 -0.24 1.61 1.02 -1.26 -4.84 119.74 117.03 3a3d s LYS 278 Ca 0.00 -0.59 -0.14 0.00 0.02 0.00 0.00 55.97 55.26 3a3d s LYS 278 Cb 0.00 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 3a3d s LYS 278 CO 0.00 -0.51 0.30 0.08 -0.92 0.00 0.00 175.35 174.30 3a3d s VAL 279 N -2.68 5.24 -0.06 3.17 1.01 -1.26 -0.66 120.40 125.16 3a3d s VAL 279 Ca 0.53 0.46 0.03 0.00 0.00 0.00 0.00 61.98 63.00 3a3d s VAL 279 Cb -0.10 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3a3d s VAL 279 CO 0.39 0.24 -0.14 -0.76 0.00 0.00 0.00 175.10 174.83 3a3d s LEU 280 N 1.57 2.72 -0.52 3.92 1.43 -0.01 -4.99 118.68 122.80 3a3d s LEU 280 Ca 0.13 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3a3d s LEU 280 Cb -0.15 -1.56 0.25 0.00 0.03 0.00 0.00 46.19 44.77 3a3d s LEU 280 CO 0.08 0.32 0.65 0.18 0.23 0.00 0.00 176.35 177.80 3a3d n LEU 281 N 2.50 2.05 -4.78 1.79 4.77 -1.26 -1.59 117.00 120.48 3a3d n LEU 281 Ca -0.17 -5.09 -0.31 0.00 -0.03 0.00 0.00 56.01 50.41 3a3d n LEU 281 Cb 0.52 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.67 3a3d n LEU 281 CO 0.26 2.08 0.70 -2.16 -1.33 0.00 0.00 177.39 176.94 3a3d s PRO 282 N -1.90 2.27 0.12 3.23 0.04 -1.26 -4.98 135.00 132.52 3a3d s PRO 282 Ca 0.38 1.00 0.20 0.00 0.04 0.00 0.00 61.00 62.62 3a3d s PRO 282 Cb 0.17 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 3a3d s PRO 282 CO -0.06 -1.58 0.88 0.94 0.04 0.00 0.00 177.00 177.21 3a3d n GLN 283 N -3.46 0.62 -2.80 4.56 7.27 -1.26 -4.62 117.38 117.68 3a3d n GLN 283 Ca 0.08 0.12 -0.23 0.00 0.07 0.00 0.00 57.00 57.04 3a3d n GLN 283 Cb 0.54 -1.78 0.02 0.00 2.41 0.00 0.00 30.24 31.43 3a3d n GLN 283 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3a3d s LYS 284 N -3.20 2.87 0.41 3.69 1.02 -1.26 -4.41 119.74 118.86 3a3d s LYS 284 Ca -0.02 -0.52 -0.27 0.00 0.02 0.00 0.00 55.97 55.18 3a3d s LYS 284 Cb 0.10 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 3a3d s LYS 284 CO 0.81 -0.47 1.46 -2.14 -0.92 0.00 0.00 175.35 174.09 3a3d s PRO 285 N -4.68 3.92 -0.28 -1.68 0.02 -1.26 -4.72 135.00 126.33 3a3d s PRO 285 Ca 0.52 2.50 -0.06 0.00 0.02 0.00 0.00 61.00 63.97 3a3d s PRO 285 Cb -0.10 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.59 3a3d s PRO 285 CO 0.39 -0.65 0.06 -0.65 -0.33 0.00 0.00 177.00 175.81 3a3d s GLN 286 N -2.25 3.22 0.25 5.54 -1.52 -1.26 -5.09 119.66 118.56 3a3d s GLN 286 Ca 0.56 -0.76 -0.24 0.00 -1.95 0.00 0.00 55.36 52.97 3a3d s GLN 286 Cb -0.45 -3.31 -0.09 0.00 -0.22 0.00 0.00 33.01 28.94 3a3d s GLN 286 CO 0.60 -0.37 0.84 -0.65 -0.25 0.00 0.00 175.29 175.46 3a3d s GLN 287 N 1.51 4.48 -0.04 2.91 1.11 -1.26 -5.03 119.66 123.35 3a3d s GLN 287 Ca 0.04 1.15 -0.30 0.00 0.01 0.00 0.00 55.36 56.25 3a3d s GLN 287 Cb -0.16 -2.95 0.11 0.00 -1.01 0.00 0.00 33.01 29.00 3a3d s GLN 287 CO 0.02 0.39 1.32 0.20 0.01 0.00 0.00 175.29 177.23 3a3d s GLY 288 N -1.51 -0.24 0.07 3.09 0.00 -1.26 -4.69 107.32 102.77 3a3d s GLY 288 Ca 0.44 0.29 -0.26 0.00 0.00 0.00 0.00 44.72 45.20 3a3d s GLY 288 CO 0.24 4.14 0.79 1.62 0.00 0.00 0.00 173.10 179.89 3a3d s GLN 289 N -2.09 4.53 -0.05 2.90 2.00 0.90 -4.76 119.66 123.08 3a3d s GLN 289 Ca 0.25 1.12 -0.30 0.00 -2.00 0.00 0.00 55.36 54.44 3a3d s GLN 289 Cb 0.02 -3.35 -0.06 0.00 0.80 0.00 0.00 33.01 30.42 3a3d s GLN 289 CO -0.02 0.31 1.65 -1.17 -0.50 0.00 0.00 175.29 175.55 3a3d s LEU 290 N -0.17 4.32 -0.19 3.68 2.96 -1.26 -0.92 118.68 127.11 3a3d s LEU 290 Ca 0.39 2.25 -0.03 0.00 -0.22 0.00 0.00 54.13 56.52 3a3d s LEU 290 Cb -0.21 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.73 3a3d s LEU 290 CO 0.24 -0.92 0.06 0.18 -1.32 0.00 0.00 176.35 174.59 3a3d n LEU 291 N 7.04 2.77 -3.49 -0.68 4.77 0.69 -4.95 117.00 123.16 3a3d n LEU 291 Ca 0.17 0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3a3d n LEU 291 Cb 0.43 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 3a3d n LEU 291 CO 0.62 0.88 0.64 0.00 -1.33 0.00 0.00 177.39 178.20 3a3d s ALA 292 N -2.53 -1.79 -0.01 -1.18 0.00 -1.04 -4.98 121.76 110.23 3a3d s ALA 292 Ca -0.29 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 3a3d s ALA 292 Cb 0.08 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.67 3a3d s ALA 292 CO 0.68 -0.69 0.24 0.21 0.00 0.00 0.00 175.76 176.20 3a3d s LYS 293 N -3.14 0.59 -0.05 0.00 2.20 -1.26 -0.38 119.74 117.68 3a3d s LYS 293 Ca 0.04 -0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.43 3a3d s LYS 293 Cb -0.01 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 3a3d s LYS 293 CO -0.09 -0.15 -0.22 -1.58 -0.36 0.00 0.00 175.35 172.94 3a3d s HIS 294 N -1.34 2.19 -0.07 4.03 5.65 0.51 -4.98 115.29 121.28 3a3d s HIS 294 Ca -0.14 -0.64 0.03 0.00 0.25 0.00 0.00 55.06 54.55 3a3d s HIS 294 Cb -0.06 -1.45 -0.02 0.00 -1.18 0.00 0.00 32.58 29.87 3a3d s HIS 294 CO 0.03 -0.20 -0.14 -0.51 -0.65 0.00 0.00 174.74 173.28 3a3d s LEU 295 N -0.11 2.76 1.06 8.88 1.43 -1.26 -1.13 118.68 130.30 3a3d s LEU 295 Ca -0.03 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 3a3d s LEU 295 Cb -0.13 -1.58 0.22 0.00 0.03 0.00 0.00 46.19 44.73 3a3d s LEU 295 CO 0.03 0.30 1.11 -0.94 0.23 0.00 0.00 176.35 177.08 3a3d s SER 296 N -0.48 2.12 0.65 2.29 1.04 0.11 -4.96 113.70 114.47 3a3d s SER 296 Ca 0.06 0.95 -0.18 0.00 0.48 0.00 0.00 55.95 57.27 3a3d s SER 296 Cb -0.12 -1.47 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 3a3d s SER 296 CO 0.02 -3.42 1.17 0.29 0.98 0.00 0.00 173.24 172.28 3a3d n LYS 297 N -4.33 0.95 -1.73 4.02 5.02 -1.26 -4.65 118.16 116.18 3a3d n LYS 297 Ca 0.08 0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 56.45 3a3d n LYS 297 Cb 0.58 -2.40 0.09 0.00 -0.02 0.00 0.00 35.03 33.28 3a3d n LYS 297 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a3d s PRO 298 N -3.24 2.00 0.30 1.97 0.04 -1.26 -4.62 135.00 130.19 3a3d s PRO 298 Ca 0.80 0.36 0.02 0.00 0.04 0.00 0.00 61.00 62.22 3a3d s PRO 298 Cb -0.38 -1.93 0.74 0.00 0.04 0.00 0.00 34.50 32.96 3a3d s PRO 298 CO 0.43 -1.62 1.59 1.25 0.04 0.00 0.00 177.00 178.70 3a3d h LEU 299 N -1.08 -0.34 -1.56 -3.56 5.85 -0.63 -1.43 115.31 112.55 3a3d h LEU 299 Ca -0.47 0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3a3d h LEU 299 Cb 1.30 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 3a3d h LEU 299 CO 0.63 -0.30 0.32 -0.65 -0.34 0.00 0.00 178.44 178.10 3a3d h PRO 300 N 0.05 0.57 -0.33 5.25 0.11 -1.88 0.18 132.00 135.95 3a3d h PRO 300 Ca 0.58 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.58 3a3d h PRO 300 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3a3d h PRO 300 CO -0.84 0.37 -0.09 -0.44 -0.21 0.00 0.00 178.00 176.79 3a3d h ASP 301 N 0.58 0.65 -0.39 -2.05 3.32 -1.61 -0.48 116.42 116.44 3a3d h ASP 301 Ca 0.19 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3a3d h ASP 301 Cb 0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3a3d h ASP 301 CO -0.05 0.87 0.04 -0.07 -1.72 0.00 0.00 179.24 178.31 3a3d h LEU 302 N 0.42 0.64 -0.76 1.55 3.38 -1.09 -2.17 115.31 117.27 3a3d h LEU 302 Ca 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3a3d h LEU 302 Cb 0.59 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3a3d h LEU 302 CO 0.03 0.76 0.45 -0.07 0.09 0.00 0.00 178.44 179.70 3a3d h LEU 303 N 0.49 0.93 -0.67 1.67 3.38 -0.65 0.85 115.31 121.31 3a3d h LEU 303 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a3d h LEU 303 Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3a3d h LEU 303 CO 0.01 0.73 0.40 0.50 0.09 0.00 0.00 178.44 180.18 3a3d h LYS 304 N 1.05 0.91 -0.46 1.13 3.64 -0.91 -0.35 116.57 121.57 3a3d h LYS 304 Ca 0.27 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 3a3d h LYS 304 Cb -0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3a3d h LYS 304 CO -0.05 0.65 -0.25 -0.22 -2.27 0.00 0.00 179.45 177.31 3a3d h LYS 305 N 0.91 0.99 -0.14 1.90 3.64 -1.15 -0.09 116.57 122.62 3a3d h LYS 305 Ca 0.24 -0.44 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3a3d h LYS 305 Cb -0.03 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3a3d h LYS 305 CO -0.05 1.12 -0.14 1.98 -2.27 0.00 0.00 179.45 180.09 3a3d h MET 306 N 0.84 -0.16 -0.15 1.90 4.05 -0.56 -1.94 114.93 118.92 3a3d h MET 306 Ca 0.10 0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.31 3a3d h MET 306 Cb 0.84 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.68 3a3d h MET 306 CO 0.07 -0.11 -0.75 0.52 0.23 0.00 0.00 176.91 176.87 3a3d h MET 307 N -0.16 0.77 -0.37 0.39 2.86 -0.96 -0.45 114.93 117.01 3a3d h MET 307 Ca 0.10 -0.63 -0.08 0.00 -2.06 0.00 0.00 59.70 57.02 3a3d h MET 307 Cb 0.31 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3a3d h MET 307 CO -0.24 1.24 -0.08 0.87 1.06 0.00 0.00 176.91 179.76 3a3d h LYS 308 N 0.50 0.70 -0.00 1.72 1.79 -0.96 -3.34 116.57 116.97 3a3d h LYS 308 Ca -0.05 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3a3d h LYS 308 Cb 1.39 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 3a3d h LYS 308 CO 0.16 0.85 -0.65 1.63 -1.08 0.00 0.00 179.45 180.36 3a3d n LYS 309 N -4.39 1.58 -3.16 3.15 5.02 -0.73 -1.85 118.16 117.77 3a3d n LYS 309 Ca -0.02 -0.26 -0.14 0.00 -2.02 0.00 0.00 58.31 55.87 3a3d n LYS 309 Cb 0.34 -1.29 0.07 0.00 -0.02 0.00 0.00 35.03 34.13 3a3d n LYS 309 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a3d n SER 310 N -0.99 -5.69 -4.55 4.39 2.88 -0.23 -4.93 113.62 104.51 3a3d n SER 310 Ca 0.04 -0.65 -0.42 0.00 -1.33 0.00 0.00 58.87 56.51 3a3d n SER 310 Cb 0.29 -4.89 -0.03 0.00 -0.75 0.00 0.00 64.21 58.82 3a3d n SER 310 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3a3d s ASP 311 N -3.50 6.38 0.21 -3.46 -1.08 -0.90 -4.92 116.67 109.38 3a3d s ASP 311 Ca 0.36 -0.15 -0.07 0.00 -0.52 0.00 0.00 52.55 52.17 3a3d s ASP 311 Cb -0.05 -2.50 0.15 0.00 -1.46 0.00 0.00 42.92 39.06 3a3d s ASP 311 CO 0.69 -1.40 1.73 0.78 0.52 0.00 0.00 175.17 177.49 3a3d h ASN 312 N 9.48 1.05 -0.61 -0.34 2.35 -1.91 -2.46 115.58 123.14 3a3d h ASN 312 Ca -0.26 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.20 3a3d h ASN 312 Cb 1.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 3a3d h ASN 312 CO 1.15 1.01 0.11 1.56 -1.65 0.00 0.00 177.43 179.61 3a3d h GLN 313 N 1.05 1.00 -0.63 0.81 7.50 -1.86 -0.33 115.11 122.64 3a3d h GLN 313 Ca 0.22 -0.26 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 3a3d h GLN 313 Cb 0.38 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.75 3a3d h GLN 313 CO 0.00 0.93 0.38 0.82 -1.50 0.00 0.00 178.83 179.47 3a3d h ILE 314 N 0.91 1.19 0.05 2.54 2.04 -1.84 -0.62 117.51 121.77 3a3d h ILE 314 Ca 0.19 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3a3d h ILE 314 Cb 0.41 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3a3d h ILE 314 CO 0.01 0.19 -0.09 0.00 0.00 0.00 0.00 178.15 178.26 3a3d h ALA 315 N 1.20 -0.14 -0.03 1.87 0.00 -1.25 -0.19 119.26 120.72 3a3d h ALA 315 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3a3d h ALA 315 Cb -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3a3d h ALA 315 CO -0.04 -0.60 -0.62 -0.44 0.00 0.00 0.00 179.25 177.55 3a3d h ASP 316 N -0.18 0.11 -0.10 0.00 3.32 -0.96 -0.59 116.42 118.02 3a3d h ASP 316 Ca 0.02 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3a3d h ASP 316 Cb 0.20 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3a3d h ASP 316 CO -0.06 0.69 0.06 0.28 -1.72 0.00 0.00 179.24 178.49 3a3d h SER 317 N 0.07 0.12 -0.71 6.45 0.02 -0.99 -2.32 113.55 116.18 3a3d h SER 317 Ca -0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3a3d h SER 317 Cb 1.10 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3a3d h SER 317 CO 0.09 0.16 0.41 -0.07 -1.14 0.00 0.00 176.83 176.28 3a3d h LEU 318 N 0.07 0.87 -0.59 5.07 3.38 -0.99 0.96 115.31 124.08 3a3d h LEU 318 Ca 0.04 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3a3d h LEU 318 Cb 0.06 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 3a3d h LEU 318 CO -0.01 0.69 0.15 0.15 0.09 0.00 0.00 178.44 179.52 3a3d h PHE 319 N 0.97 0.25 0.00 1.13 3.57 -0.95 0.30 116.94 122.21 3a3d h PHE 319 Ca 0.25 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.63 3a3d h PHE 319 Cb -0.01 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3a3d h PHE 319 CO -0.01 0.01 -0.85 0.00 -2.23 0.00 0.00 178.31 175.23 3a3d h ARG 320 N 0.30 0.00 -0.18 1.11 3.08 -1.20 -2.89 114.38 114.59 3a3d h ARG 320 Ca 0.31 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.24 3a3d h ARG 320 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3a3d h ARG 320 CO -0.37 0.62 -0.39 0.00 -1.07 0.00 0.00 179.97 178.76 3a3d h ALA 321 N 1.31 1.01 0.22 0.04 0.00 -0.14 0.88 119.26 122.58 3a3d h ALA 321 Ca -0.05 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3a3d h ALA 321 Cb 1.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3a3d h ALA 321 CO 0.08 0.61 -0.34 0.28 0.00 0.00 0.00 179.25 179.88 3a3d h VAL 322 N 0.33 0.29 -0.98 0.00 2.07 -0.41 -1.75 116.25 115.80 3a3d h VAL 322 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3a3d h VAL 322 Cb 0.83 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3a3d h VAL 322 CO 0.07 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.30 3a3d h ALA 323 N -0.08 1.27 -0.82 1.67 0.00 -1.25 0.09 119.26 120.13 3a3d h ALA 323 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a3d h ALA 323 Cb 0.62 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3a3d h ALA 323 CO -0.14 0.59 0.49 0.35 0.00 0.00 0.00 179.25 180.54 3a3d h PHE 324 N 1.29 1.09 0.02 0.00 3.57 -0.51 -0.98 116.94 121.42 3a3d h PHE 324 Ca 0.37 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.66 3a3d h PHE 324 Cb -0.08 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.29 3a3d h PHE 324 CO -0.00 0.74 -0.93 -0.91 -2.23 0.00 0.00 178.31 174.98 3a3d h ASN 325 N 1.13 0.26 0.04 0.41 4.21 -1.11 -0.17 115.58 120.36 3a3d h ASN 325 Ca 0.29 -0.22 -0.23 0.00 1.21 0.00 0.00 56.30 57.35 3a3d h ASN 325 Cb -0.03 -0.08 0.02 0.00 -1.12 0.00 0.00 38.32 37.11 3a3d h ASN 325 CO -0.05 1.05 -0.94 0.22 -1.29 0.00 0.00 177.43 176.41 3a3d h TYR 326 N 0.10 0.87 -0.00 1.19 3.20 -0.79 -3.32 116.97 118.22 3a3d h TYR 326 Ca -0.05 -0.50 0.00 0.00 3.14 0.00 0.00 58.73 61.32 3a3d h TYR 326 Cb 1.58 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.76 3a3d h TYR 326 CO 0.03 1.34 -0.89 0.66 -1.64 0.00 0.00 178.16 177.67 3a3d n TYR 327 N -3.97 0.00 -3.56 -3.82 4.01 -0.39 -5.00 117.16 104.43 3a3d n TYR 327 Ca -0.12 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.41 3a3d n TYR 327 Cb 0.84 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.95 3a3d n TYR 327 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3a3d n LYS 328 N -1.39 -7.05 -3.62 -0.72 4.76 -0.08 -4.99 118.16 105.06 3a3d n LYS 328 Ca 0.04 0.81 -0.12 0.00 -2.87 0.00 0.00 58.31 56.17 3a3d n LYS 328 Cb 0.31 -5.81 -0.05 0.00 -1.84 0.00 0.00 35.03 27.64 3a3d n LYS 328 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3a3d s ARG 329 N -5.91 1.03 0.33 1.97 1.70 -1.19 -5.07 118.95 111.81 3a3d s ARG 329 Ca 0.31 -0.53 -0.29 0.00 -0.47 0.00 0.00 55.73 54.75 3a3d s ARG 329 Cb -0.14 0.46 -0.12 0.00 -0.57 0.00 0.00 34.95 34.58 3a3d s ARG 329 CO 0.74 -0.39 1.37 -2.30 -1.08 0.00 0.00 175.30 173.64 3a3d n PRO 330 N 0.06 2.26 -4.07 3.89 -0.02 -1.26 -4.31 135.00 131.54 3a3d n PRO 330 Ca -0.17 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 3a3d n PRO 330 Cb 0.62 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 3a3d n PRO 330 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3d s ALA 331 N -0.82 3.12 0.54 3.55 0.00 -0.24 -4.67 121.76 123.23 3a3d s ALA 331 Ca 0.58 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.66 3a3d s ALA 331 Cb -0.56 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 20.80 3a3d s ALA 331 CO 0.59 -0.08 0.74 -1.54 0.00 0.00 0.00 175.76 175.48 3a3d s SER 332 N 0.87 5.22 0.44 0.00 1.04 -1.25 -0.94 113.70 119.08 3a3d s SER 332 Ca 0.02 -0.39 0.11 0.00 0.48 0.00 0.00 55.95 56.16 3a3d s SER 332 Cb -0.14 -0.41 1.00 0.00 0.10 0.00 0.00 66.02 66.57 3a3d s SER 332 CO 0.02 -1.17 2.07 -0.26 0.98 0.00 0.00 173.24 174.88 3a3d h PHE 333 N 0.20 0.37 -0.69 5.02 0.04 -1.83 -0.90 116.94 119.15 3a3d h PHE 333 Ca -0.38 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.33 3a3d h PHE 333 Cb 1.28 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 3a3d h PHE 333 CO 0.31 0.22 0.17 1.96 -0.60 0.00 0.00 178.31 180.37 3a3d h GLN 334 N 0.39 1.11 -0.12 1.51 7.50 -1.94 -0.76 115.11 122.79 3a3d h GLN 334 Ca 0.14 -0.27 -0.13 0.00 0.50 0.00 0.00 58.65 58.89 3a3d h GLN 334 Cb 0.08 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.46 3a3d h GLN 334 CO -0.03 0.98 -0.50 1.25 -1.50 0.00 0.00 178.83 179.03 3a3d h LEU 335 N 1.04 0.34 -0.52 1.46 5.85 -1.81 -1.51 115.31 120.16 3a3d h LEU 335 Ca 0.22 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.86 3a3d h LEU 335 Cb 0.37 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 3a3d h LEU 335 CO 0.00 0.79 0.08 1.23 -0.34 0.00 0.00 178.44 180.20 3a3d h GLY 336 N 1.28 0.62 0.97 3.75 0.00 -0.40 -0.55 103.07 108.74 3a3d h GLY 336 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3a3d h GLY 336 CO 0.08 -0.10 0.23 -0.84 0.00 0.00 0.00 176.54 175.91 3a3d h THR 337 N 0.21 1.18 -0.66 4.70 2.02 -0.79 -0.07 112.91 119.50 3a3d h THR 337 Ca 0.27 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 3a3d h THR 337 Cb 0.38 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3a3d h THR 337 CO -0.37 0.20 0.17 0.25 0.37 0.00 0.00 175.52 176.14 3a3d h LEU 338 N 0.62 0.98 -0.05 2.58 5.85 -0.71 -2.02 115.31 122.55 3a3d h LEU 338 Ca 0.16 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3a3d h LEU 338 Cb 0.11 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3a3d h LEU 338 CO -0.02 0.94 -0.03 0.00 -0.34 0.00 0.00 178.44 178.98 3a3d h ALA 339 N 1.19 0.07 -0.69 1.25 0.00 -0.81 0.75 119.26 121.03 3a3d h ALA 339 Ca 0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3a3d h ALA 339 Cb 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3a3d h ALA 339 CO -0.00 -0.17 0.23 0.28 0.00 0.00 0.00 179.25 179.58 3a3d h VAL 340 N -0.30 1.25 -0.36 0.00 2.07 -0.87 0.81 116.25 118.86 3a3d h VAL 340 Ca 0.01 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 3a3d h VAL 340 Cb 0.49 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3a3d h VAL 340 CO 0.01 0.33 -0.23 0.11 0.02 0.00 0.00 177.57 177.81 3a3d h LYS 341 N 1.01 0.79 -0.57 1.57 1.57 -1.29 -1.89 116.57 117.76 3a3d h LYS 341 Ca 0.23 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3a3d h LYS 341 Cb 0.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3a3d h LYS 341 CO -0.01 1.00 0.18 1.03 -0.57 0.00 0.00 179.45 181.07 3a3d h SER 342 N 0.58 0.83 -0.49 0.86 0.87 -0.24 0.76 113.55 116.71 3a3d h SER 342 Ca 0.07 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 3a3d h SER 342 Cb 0.79 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3a3d h SER 342 CO 0.06 0.82 0.16 0.40 -0.53 0.00 0.00 176.83 177.75 3a3d h ILE 343 N 0.80 1.23 0.04 2.23 2.04 -0.79 -2.39 117.51 120.67 3a3d h ILE 343 Ca 0.18 -0.75 -0.23 0.00 1.00 0.00 0.00 64.86 65.06 3a3d h ILE 343 Cb 0.29 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3a3d h ILE 343 CO -0.01 0.27 -1.02 -0.07 0.00 0.00 0.00 178.15 177.33 3a3d h LEU 344 N 0.67 0.43 -0.77 1.44 3.38 -1.18 -3.03 115.31 116.24 3a3d h LEU 344 Ca 0.16 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3a3d h LEU 344 Cb 0.26 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3a3d h LEU 344 CO -0.01 1.21 0.49 1.56 0.09 0.00 0.00 178.44 181.79 3a3d h GLN 345 N 0.15 0.94 -0.04 1.13 4.20 -0.79 -1.66 115.11 119.04 3a3d h GLN 345 Ca -0.09 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3a3d h GLN 345 Cb 1.68 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 29.25 3a3d h GLN 345 CO 0.17 0.62 0.04 0.87 -0.67 0.00 0.00 178.83 179.87 3a3d h LYS 346 N 0.97 0.00 -0.06 1.46 1.57 -1.31 0.59 116.57 119.80 3a3d h LYS 346 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3a3d h LYS 346 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3a3d h LYS 346 CO -0.10 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.82 3a3d n GLN 347 N -3.98 1.63 0.00 3.15 1.13 -0.70 -4.94 117.38 113.68 3a3d n GLN 347 Ca -0.02 -0.92 0.00 0.00 -1.94 0.00 0.00 57.00 54.12 3a3d n GLN 347 Cb 0.14 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.04 3a3d n GLN 347 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a3d n GLY 348 N 1.14 0.52 3.75 1.08 0.00 0.20 -5.07 105.19 106.80 3a3d n GLY 348 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3a3d n GLY 348 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3d s ILE 349 N -2.00 4.04 -0.11 -0.61 -1.09 -0.77 -4.99 121.20 115.67 3a3d s ILE 349 Ca 0.00 1.97 0.02 0.00 -2.23 0.00 0.00 60.65 60.41 3a3d s ILE 349 Cb 0.00 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3a3d s ILE 349 CO 0.00 0.44 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.85 3a3d s ARG 350 N -0.99 3.19 -0.01 2.79 0.52 -1.26 -4.00 118.95 119.19 3a3d s ARG 350 Ca 0.43 -0.76 0.11 0.00 -0.52 0.00 0.00 55.73 54.99 3a3d s ARG 350 Cb -0.27 -2.49 -0.13 0.00 0.52 0.00 0.00 34.95 32.58 3a3d s ARG 350 CO 0.33 0.24 0.37 1.19 0.02 0.00 0.00 175.30 177.45 3a3d n PHE 351 N 3.42 0.00 -0.32 -0.53 3.72 -1.26 -4.92 117.46 117.57 3a3d n PHE 351 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3a3d n PHE 351 Cb 0.53 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3a3d n PHE 351 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a3d n GLY 352 N 1.47 3.20 1.88 1.37 0.00 -1.26 -1.11 105.19 110.75 3a3d n GLY 352 Ca 0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 3a3d n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a3d n ASN 353 N 3.37 3.56 -4.68 1.61 5.03 -1.26 -5.00 115.26 117.90 3a3d n ASN 353 Ca 0.00 -3.69 -0.35 0.00 0.87 0.00 0.00 54.58 51.41 3a3d n ASN 353 Cb 0.00 -0.77 0.10 0.00 -1.02 0.00 0.00 39.78 38.08 3a3d n ASN 353 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3a3d n SER 354 N -1.12 1.21 -4.22 6.41 7.64 -0.26 -4.99 113.62 118.28 3a3d n SER 354 Ca 0.51 0.69 -0.34 0.00 1.01 0.00 0.00 58.87 60.74 3a3d n SER 354 Cb 1.40 -1.49 -0.15 0.00 -1.01 0.00 0.00 64.21 62.96 3a3d n SER 354 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3a3d s ILE 355 N -1.78 2.80 -0.52 0.44 -1.09 -0.01 -4.95 121.20 116.08 3a3d s ILE 355 Ca 0.77 -0.73 0.04 0.00 -2.23 0.00 0.00 60.65 58.49 3a3d s ILE 355 Cb -0.34 -2.26 0.13 0.00 -1.58 0.00 0.00 42.46 38.41 3a3d s ILE 355 CO 0.47 0.44 0.26 -0.76 -1.23 0.00 0.00 174.94 174.13 3a3d s LEU 356 N 1.39 4.33 0.04 2.97 1.02 -1.26 -0.90 118.68 126.27 3a3d s LEU 356 Ca 0.05 -3.02 0.26 0.00 0.02 0.00 0.00 54.13 51.44 3a3d s LEU 356 Cb -0.14 -1.64 0.61 0.00 0.02 0.00 0.00 46.19 45.04 3a3d s LEU 356 CO -0.07 -0.23 1.50 0.00 0.02 0.00 0.00 176.35 177.57 3a3d n ALA 357 N 3.11 3.09 -3.69 4.21 0.00 -1.26 -4.58 120.51 121.39 3a3d n ALA 357 Ca 0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 3a3d n ALA 357 Cb 0.32 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 3a3d n ALA 357 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3a3d s ASP 358 N -3.41 0.00 0.13 0.00 1.47 -1.26 -4.58 116.67 109.03 3a3d s ASP 358 Ca 0.10 -1.00 0.14 0.00 1.18 0.00 0.00 52.55 52.97 3a3d s ASP 358 Cb 0.16 0.78 -0.09 0.00 -0.34 0.00 0.00 42.92 43.43 3a3d s ASP 358 CO 0.67 -1.51 1.08 1.23 0.68 0.00 0.00 175.17 177.31 3a3d h GLY 359 N 2.03 0.00 1.69 2.12 0.00 -1.90 -3.39 103.07 103.61 3a3d h GLY 359 Ca -0.27 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 3a3d h GLY 359 CO 0.35 0.00 -0.75 1.48 0.00 0.00 0.00 176.54 177.62 3a3d h SER 360 N 0.00 0.00 0.00 0.19 4.64 -1.84 -3.28 113.55 113.26 3a3d h SER 360 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3a3d h SER 360 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3a3d h SER 360 CO 0.07 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 3a3d n GLY 361 N 1.26 0.73 0.16 -0.77 0.00 -1.26 -3.98 105.19 101.34 3a3d n GLY 361 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3a3d n GLY 361 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a3d h LEU 362 N 0.00 0.14 -9.87 0.99 3.38 -1.93 -3.35 115.31 104.67 3a3d h LEU 362 Ca 0.00 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.37 3a3d h LEU 362 Cb 0.00 -0.04 0.07 0.00 0.09 0.00 0.00 40.66 40.78 3a3d h LEU 362 CO 0.00 0.68 0.69 -0.55 0.09 0.00 0.00 178.44 179.34 3a3d s SER 363 N -6.88 6.67 0.00 -0.43 0.15 -1.26 -4.74 113.70 107.20 3a3d s SER 363 Ca -0.03 2.76 0.31 0.00 0.70 0.00 0.00 55.95 59.68 3a3d s SER 363 Cb 0.13 -2.65 1.83 0.00 -1.71 0.00 0.00 66.02 63.62 3a3d s SER 363 CO 0.77 -0.63 2.18 0.54 1.20 0.00 0.00 173.24 177.30 3a3d n ARG 364 N 1.01 1.01 0.01 5.44 5.12 -0.07 -2.49 116.66 126.68 3a3d n ARG 364 Ca 0.01 -0.01 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 3a3d n ARG 364 Cb 0.41 -1.48 0.22 0.00 -1.16 0.00 0.00 32.46 30.45 3a3d n ARG 364 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3a3d n HIS 365 N -0.97 0.13 -1.76 -1.55 8.25 -1.26 -4.96 115.22 113.11 3a3d n HIS 365 Ca 0.23 0.04 -0.41 0.00 -0.26 0.00 0.00 57.72 57.32 3a3d n HIS 365 Cb 0.11 -0.35 0.01 0.00 1.12 0.00 0.00 29.99 30.88 3a3d n HIS 365 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3a3d n ASN 366 N -1.66 3.44 -3.50 0.41 3.02 -1.04 -4.76 115.26 111.17 3a3d n ASN 366 Ca 0.05 1.17 -0.15 0.00 -0.03 0.00 0.00 54.58 55.62 3a3d n ASN 366 Cb 0.36 -1.60 -0.12 0.00 -0.61 0.00 0.00 39.78 37.82 3a3d n ASN 366 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a3d s LEU 367 N -2.21 -0.27 -0.01 3.41 1.43 -0.08 -4.37 118.68 116.58 3a3d s LEU 367 Ca 0.57 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3a3d s LEU 367 Cb -0.47 0.63 0.02 0.00 0.03 0.00 0.00 46.19 46.39 3a3d s LEU 367 CO 0.61 -0.30 0.02 -0.69 0.23 0.00 0.00 176.35 176.22 3a3d s VAL 368 N 2.40 -0.03 0.30 -1.59 1.01 -0.48 -0.83 120.40 121.18 3a3d s VAL 368 Ca 0.07 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 3a3d s VAL 368 Cb -0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 36.38 36.09 3a3d s VAL 368 CO -0.12 0.04 0.71 0.00 0.00 0.00 0.00 175.10 175.73 3a3d s ALA 369 N 0.54 3.36 0.28 5.51 0.00 -1.26 -0.85 121.76 129.33 3a3d s ALA 369 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3a3d s ALA 369 Cb -0.06 -2.72 0.64 0.00 0.00 0.00 0.00 23.12 20.97 3a3d s ALA 369 CO -0.02 0.36 1.72 -1.35 0.00 0.00 0.00 175.76 176.47 3a3d h PRO 370 N 2.35 0.45 0.00 0.00 0.11 -1.70 -1.48 132.00 131.73 3a3d h PRO 370 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3a3d h PRO 370 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3a3d h PRO 370 CO 0.66 0.30 -0.23 1.57 -0.21 0.00 0.00 178.00 180.09 3a3d h LYS 371 N 0.46 0.00 -0.19 1.05 2.10 -1.53 0.48 116.57 118.94 3a3d h LYS 371 Ca 0.51 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.08 3a3d h LYS 371 Cb 0.89 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 3a3d h LYS 371 CO -0.47 0.23 -0.21 1.15 -2.00 0.00 0.00 179.45 178.15 3a3d h THR 372 N 0.00 1.33 -0.82 0.07 2.02 -1.54 -1.69 112.91 112.28 3a3d h THR 372 Ca -0.00 -1.38 0.03 0.00 0.77 0.00 0.00 66.41 65.82 3a3d h THR 372 Cb 0.50 1.80 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 3a3d h THR 372 CO 0.03 0.42 0.53 -0.03 0.37 0.00 0.00 175.52 176.84 3a3d h MET 373 N 0.13 1.02 -0.94 6.66 1.85 -1.09 -2.26 114.93 120.29 3a3d h MET 373 Ca 0.03 -0.06 0.03 0.00 -0.61 0.00 0.00 59.70 59.09 3a3d h MET 373 Cb 0.75 -0.23 -0.05 0.00 0.43 0.00 0.00 31.60 32.50 3a3d h MET 373 CO 0.05 0.67 0.62 1.25 -0.40 0.00 0.00 176.91 179.10 3a3d h LEU 374 N 1.05 1.04 -1.18 3.39 5.85 -0.74 -1.13 115.31 123.59 3a3d h LEU 374 Ca 0.32 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 3a3d h LEU 374 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3a3d h LEU 374 CO -0.10 0.72 -0.11 0.77 -0.34 0.00 0.00 178.44 179.38 3a3d h SER 375 N 1.21 0.42 -0.13 1.25 4.64 -0.73 0.18 113.55 120.39 3a3d h SER 375 Ca 0.37 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.45 3a3d h SER 375 Cb -0.03 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3a3d h SER 375 CO -0.10 0.57 -0.39 0.58 -0.87 0.00 0.00 176.83 176.62 3a3d h VAL 376 N 0.41 1.29 -0.67 0.95 2.07 -0.91 -2.01 116.25 117.39 3a3d h VAL 376 Ca 0.08 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 3a3d h VAL 376 Cb 0.45 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3a3d h VAL 376 CO 0.03 0.50 0.17 -0.07 0.02 0.00 0.00 177.57 178.21 3a3d h LEU 377 N 0.54 1.00 -0.89 2.57 3.38 -0.32 -0.21 115.31 121.37 3a3d h LEU 377 Ca 0.05 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3a3d h LEU 377 Cb 0.91 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3a3d h LEU 377 CO 0.08 0.96 -0.13 -0.33 0.09 0.00 0.00 178.44 179.11 3a3d h GLU 378 N 1.01 0.68 -0.70 1.13 5.08 -0.48 -0.91 114.58 120.39 3a3d h GLU 378 Ca 0.21 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3a3d h GLU 378 Cb 0.34 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3a3d h GLU 378 CO -0.00 0.78 0.22 -0.92 -1.00 0.00 0.00 179.01 178.10 3a3d h TYR 379 N 0.62 1.12 -0.51 4.33 3.20 -0.70 -0.31 116.97 124.72 3a3d h TYR 379 Ca 0.11 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3a3d h TYR 379 Cb 0.57 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3a3d h TYR 379 CO 0.03 0.89 0.04 0.82 -1.64 0.00 0.00 178.16 178.30 3a3d h ILE 380 N 1.02 1.26 -0.37 1.81 2.04 -0.57 -1.78 117.51 120.91 3a3d h ILE 380 Ca 0.23 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 3a3d h ILE 380 Cb 0.29 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3a3d h ILE 380 CO -0.01 0.36 0.13 0.00 0.00 0.00 0.00 178.15 178.64 3a3d h ALA 381 N 0.96 0.48 -0.30 1.87 0.00 -0.94 -2.53 119.26 118.80 3a3d h ALA 381 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3a3d h ALA 381 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3a3d h ALA 381 CO 0.02 0.10 -0.11 -0.22 0.00 0.00 0.00 179.25 179.04 3a3d h LYS 382 N 0.45 0.50 -0.44 0.00 1.63 -0.89 -3.02 116.57 114.80 3a3d h LYS 382 Ca 0.12 -0.14 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 3a3d h LYS 382 Cb 0.22 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 3a3d h LYS 382 CO -0.01 0.61 0.07 0.09 -3.45 0.00 0.00 179.45 176.76 3a3d n ASN 383 N -4.21 3.92 -0.33 4.20 3.02 -0.68 -4.64 115.26 116.54 3a3d n ASN 383 Ca 0.01 -3.25 -0.00 0.00 -0.03 0.00 0.00 54.58 51.30 3a3d n ASN 383 Cb 0.32 -0.63 0.17 0.00 -0.61 0.00 0.00 39.78 39.02 3a3d n ASN 383 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3a3d h GLU 384 N 1.95 1.19 -0.67 3.52 4.57 -1.32 0.50 114.58 124.31 3a3d h GLU 384 Ca 0.14 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 3a3d h GLU 384 Cb 1.79 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 30.07 3a3d h GLU 384 CO 0.43 0.79 0.44 0.22 -1.18 0.00 0.00 179.01 179.71 3a3d h ASP 385 N 1.23 0.51 0.08 1.04 3.58 -1.85 -1.12 116.42 119.89 3a3d h ASP 385 Ca 0.35 0.01 -0.30 0.00 0.42 0.00 0.00 57.03 57.51 3a3d h ASP 385 Cb -0.08 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 3a3d h ASP 385 CO -0.09 0.32 -1.64 0.11 -2.88 0.00 0.00 179.24 175.06 3a3d h LYS 386 N 0.57 0.17 0.06 0.28 1.79 -1.74 -3.42 116.57 114.28 3a3d h LYS 386 Ca 0.30 -0.28 -0.24 0.00 -2.18 0.00 0.00 60.65 58.25 3a3d h LYS 386 Cb 0.44 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 3a3d h LYS 386 CO -0.10 1.14 -1.08 -0.07 -1.08 0.00 0.00 179.45 178.26 3a3d h LEU 387 N -0.38 0.29 -0.43 2.94 3.38 -0.74 -3.48 115.31 116.88 3a3d h LEU 387 Ca -0.38 -0.29 -0.45 0.00 0.09 0.00 0.00 57.88 56.86 3a3d h LEU 387 Cb 1.72 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 3a3d h LEU 387 CO -0.03 1.18 -0.70 1.41 0.09 0.00 0.00 178.44 180.40 3a3d n HIS 388 N -3.53 -2.15 0.50 1.13 8.25 -0.44 -4.90 115.22 114.09 3a3d n HIS 388 Ca -0.05 0.77 0.12 0.00 -0.26 0.00 0.00 57.72 58.30 3a3d n HIS 388 Cb 0.94 -3.78 0.18 0.00 1.12 0.00 0.00 29.99 28.45 3a3d n HIS 388 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3a3d h LEU 389 N -1.76 0.00 -1.16 2.41 3.38 -1.89 -3.37 115.31 112.92 3a3d h LEU 389 Ca -0.54 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.36 3a3d h LEU 389 Cb 1.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 3a3d h LEU 389 CO 0.63 0.07 0.59 0.24 0.09 0.00 0.00 178.44 180.06 3a3d h MET 390 N 0.00 0.94 0.00 1.13 2.86 -1.90 -0.67 114.93 117.29 3a3d h MET 390 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3a3d h MET 390 Cb 0.79 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3a3d h MET 390 CO 0.00 0.62 0.00 -0.85 1.06 0.00 0.00 176.91 177.74 3a3d n GLU 391 N -4.51 0.51 0.11 1.72 0.28 -1.26 -2.53 120.64 114.95 3a3d n GLU 391 Ca 0.15 0.04 0.12 0.00 -0.16 0.00 0.00 57.16 57.30 3a3d n GLU 391 Cb 0.25 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.82 3a3d n GLU 391 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3a3d h THR 392 N 0.00 0.00 -3.53 3.84 1.35 -1.36 -3.46 112.91 109.75 3a3d h THR 392 Ca 0.00 -0.67 -0.52 0.00 -0.55 0.00 0.00 66.41 64.67 3a3d h THR 392 Cb 0.07 1.40 0.03 0.00 -1.73 0.00 0.00 68.15 67.92 3a3d h THR 392 CO 0.00 0.00 0.59 -0.36 -0.25 0.00 0.00 175.52 175.50 3a3d s PHE 393 N -3.20 3.35 0.50 4.73 0.08 -1.05 -3.24 117.98 119.15 3a3d s PHE 393 Ca 0.06 1.39 -0.22 0.00 0.12 0.00 0.00 56.93 58.28 3a3d s PHE 393 Cb 0.11 -3.50 -0.08 0.00 -0.57 0.00 0.00 43.02 38.98 3a3d s PHE 393 CO 0.70 -1.42 0.97 -2.30 -0.10 0.00 0.00 175.22 173.06 3a3d n PRO 394 N 2.22 1.15 -4.65 0.24 -0.02 -1.25 -4.71 135.00 127.98 3a3d n PRO 394 Ca 0.04 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 3a3d n PRO 394 Cb 0.44 -2.08 -0.17 0.00 -0.02 0.00 0.00 33.50 31.67 3a3d n PRO 394 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a3d s ILE 395 N -1.40 1.91 0.03 4.25 1.01 -1.18 -1.07 121.20 124.74 3a3d s ILE 395 Ca 0.68 -0.89 -0.36 0.00 0.00 0.00 0.00 60.65 60.08 3a3d s ILE 395 Cb -0.49 -1.70 -0.15 0.00 0.01 0.00 0.00 42.46 40.14 3a3d s ILE 395 CO 0.53 0.52 1.59 0.00 0.00 0.00 0.00 174.94 177.58 3a3d n ALA 396 N 4.07 0.34 -1.06 9.38 0.00 -0.06 -1.13 120.51 132.05 3a3d n ALA 396 Ca -0.20 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 3a3d n ALA 396 Cb 0.52 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 3a3d n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a3d n GLY 397 N 3.45 0.45 1.34 0.00 0.00 -0.78 -0.69 105.19 108.95 3a3d n GLY 397 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3a3d n GLY 397 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a3d n VAL 398 N -2.57 0.37 -3.91 1.61 0.31 -0.28 -4.88 118.33 108.97 3a3d n VAL 398 Ca -0.02 0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.34 3a3d n VAL 398 Cb 0.25 -1.21 -0.01 0.00 -0.91 0.00 0.00 33.84 31.96 3a3d n VAL 398 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 3a3d s ASP 399 N -5.30 0.09 0.70 4.52 1.47 -0.78 -4.84 116.67 112.54 3a3d s ASP 399 Ca 0.00 -1.04 0.00 0.00 1.18 0.00 0.00 52.55 52.69 3a3d s ASP 399 Cb 0.00 0.74 0.00 0.00 -0.34 0.00 0.00 42.92 43.32 3a3d s ASP 399 CO 0.00 -1.43 0.00 0.61 0.68 0.00 0.00 175.17 175.03 3a3d n GLY 400 N -0.49 0.35 0.25 2.12 0.00 -1.26 -2.68 105.19 103.47 3a3d n GLY 400 Ca -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.10 3a3d n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a3d n THR 401 N 0.00 0.18 -1.15 2.61 -2.24 -0.77 -2.63 114.28 110.27 3a3d n THR 401 Ca 0.00 -0.18 0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3a3d n THR 401 Cb 0.00 0.08 0.12 0.00 -2.10 0.00 0.00 70.33 68.44 3a3d n THR 401 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3a3d n ILE 402 N -0.12 1.68 0.31 2.28 -5.35 -1.22 -4.74 119.36 112.20 3a3d n ILE 402 Ca 0.05 -2.02 0.18 0.00 -0.27 0.00 0.00 62.75 60.69 3a3d n ILE 402 Cb 0.12 -0.15 1.00 0.00 -1.74 0.00 0.00 39.64 38.86 3a3d n ILE 402 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3a3d h SER 403 N 0.00 0.00 0.00 7.28 4.64 -1.28 -2.02 113.55 122.16 3a3d h SER 403 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3a3d h SER 403 Cb 1.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 3a3d h SER 403 CO 0.00 0.02 -0.42 0.61 -0.87 0.00 0.00 176.83 176.17 3a3d n GLY 404 N -1.00 2.42 3.68 -0.77 0.00 -1.26 -3.43 105.19 104.83 3a3d n GLY 404 Ca -0.02 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3a3d n GLY 404 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a3d s ARG 405 N -1.23 4.21 0.20 1.61 6.06 -1.08 -4.88 118.95 123.84 3a3d s ARG 405 Ca 0.19 2.20 -0.11 0.00 -2.50 0.00 0.00 55.73 55.51 3a3d s ARG 405 Cb 0.18 -3.70 0.13 0.00 0.06 0.00 0.00 34.95 31.62 3a3d s ARG 405 CO -0.02 -0.73 1.87 0.78 -2.50 0.00 0.00 175.30 174.70 3a3d h GLY 406 N 8.98 0.98 2.00 8.12 0.00 -1.95 -1.43 103.07 119.77 3a3d h GLY 406 Ca -0.40 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3a3d h GLY 406 CO 0.93 0.36 0.00 0.61 0.00 0.00 0.00 176.54 178.44 3a3d n GLY 407 N -1.29 -1.08 0.25 4.60 0.00 -1.26 -3.55 105.19 102.86 3a3d n GLY 407 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3a3d n GLY 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a3d n LEU 408 N -1.59 1.34 -0.70 0.99 4.77 -0.55 -3.64 117.00 117.62 3a3d n LEU 408 Ca 0.04 -0.87 0.11 0.00 -0.03 0.00 0.00 56.01 55.26 3a3d n LEU 408 Cb 0.19 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.61 3a3d n LEU 408 CO 0.15 0.27 0.75 2.30 -1.33 0.00 0.00 177.39 179.54 3a3d n ILE 409 N 0.03 0.26 -4.26 -0.08 -6.64 -1.15 -2.58 119.36 104.95 3a3d n ILE 409 Ca 0.04 -0.44 -0.25 0.00 -1.77 0.00 0.00 62.75 60.33 3a3d n ILE 409 Cb 0.19 0.54 -0.08 0.00 -1.44 0.00 0.00 39.64 38.85 3a3d n ILE 409 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3a3d s SER 410 N -1.57 4.57 0.67 7.28 0.01 -1.26 -4.72 113.70 118.68 3a3d s SER 410 Ca 0.34 -0.55 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 3a3d s SER 410 Cb 0.19 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.54 3a3d s SER 410 CO 0.28 0.05 1.28 -2.84 0.41 0.00 0.00 173.24 172.42 3a3d s PRO 411 N -3.28 2.43 -0.05 12.44 0.02 -1.26 -0.55 135.00 144.74 3a3d s PRO 411 Ca 0.29 2.03 0.08 0.00 0.02 0.00 0.00 61.00 63.42 3a3d s PRO 411 Cb -0.08 -1.83 0.33 0.00 0.02 0.00 0.00 34.50 32.94 3a3d s PRO 411 CO 0.19 -1.68 1.16 -0.35 -0.33 0.00 0.00 177.00 175.98 3a3d n PRO 412 N -2.09 2.26 -0.01 5.54 -0.04 -1.26 -4.85 135.00 134.54 3a3d n PRO 412 Ca 0.16 -1.32 -0.16 0.00 -0.04 0.00 0.00 63.50 62.14 3a3d n PRO 412 Cb 0.48 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 3a3d n PRO 412 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a3d n LEU 413 N 0.39 1.86 -4.76 1.53 4.77 0.29 -4.67 117.00 116.41 3a3d n LEU 413 Ca 0.12 0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 56.00 3a3d n LEU 413 Cb 0.48 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3a3d n LEU 413 CO 0.11 0.66 0.93 0.54 -1.33 0.00 0.00 177.39 178.30 3a3d s VAL 414 N -2.57 2.57 0.00 4.08 0.11 -0.45 -1.33 120.40 122.81 3a3d s VAL 414 Ca -0.15 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 3a3d s VAL 414 Cb 0.07 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 3a3d s VAL 414 CO 0.79 0.02 0.00 0.29 -3.33 0.00 0.00 175.10 172.87 3a3d n LYS 415 N -0.49 0.00 0.00 1.54 5.02 0.13 -4.71 118.16 119.65 3a3d n LYS 415 Ca 0.07 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 3a3d n LYS 415 Cb 0.45 -4.19 -0.01 0.00 -0.02 0.00 0.00 35.03 31.26 3a3d n LYS 415 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a3d n ASN 416 N 0.00 1.02 -4.71 4.39 5.15 -0.54 -4.93 115.26 115.64 3a3d n ASN 416 Ca 0.00 0.15 -0.42 0.00 -0.60 0.00 0.00 54.58 53.71 3a3d n ASN 416 Cb 0.00 -0.35 -0.03 0.00 -0.53 0.00 0.00 39.78 38.87 3a3d n ASN 416 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a3d s VAL 417 N -2.18 2.69 -0.04 3.44 1.01 -0.44 -4.49 120.40 120.39 3a3d s VAL 417 Ca -0.08 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.39 3a3d s VAL 417 Cb 0.02 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3a3d s VAL 417 CO 0.11 0.02 -0.25 0.27 0.00 0.00 0.00 175.10 175.24 3a3d s ILE 418 N 1.58 2.06 -0.25 2.22 -4.36 -0.42 -0.89 121.20 121.14 3a3d s ILE 418 Ca 0.72 -1.08 -0.26 0.00 -0.26 0.00 0.00 60.65 59.76 3a3d s ILE 418 Cb -0.43 -1.73 0.11 0.00 1.25 0.00 0.00 42.46 41.66 3a3d s ILE 418 CO 0.32 0.57 0.95 0.00 0.24 0.00 0.00 174.94 177.02 3a3d s ALA 419 N -0.35 -1.92 -0.05 2.27 0.00 -0.23 -1.10 121.76 120.38 3a3d s ALA 419 Ca 0.02 1.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.59 3a3d s ALA 419 Cb -0.12 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3a3d s ALA 419 CO 0.02 -0.27 0.70 0.21 0.00 0.00 0.00 175.76 176.42 3a3d s LYS 420 N 0.02 4.44 0.40 0.00 2.47 0.05 -3.92 119.74 123.20 3a3d s LYS 420 Ca 0.01 0.90 -0.05 0.00 -1.56 0.00 0.00 55.97 55.28 3a3d s LYS 420 Cb -0.04 -3.43 -0.04 0.00 -1.46 0.00 0.00 37.83 32.86 3a3d s LYS 420 CO -0.03 0.11 0.69 0.95 0.16 0.00 0.00 175.35 177.23 3a3d s THR 421 N 0.62 4.96 -0.09 3.43 -4.23 -1.26 -1.06 115.64 118.00 3a3d s THR 421 Ca 0.37 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 3a3d s THR 421 Cb -0.18 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 69.88 3a3d s THR 421 CO 0.19 -0.64 0.04 -0.83 -0.54 0.00 0.00 174.62 172.84 3a3d s GLY 422 N -3.77 0.38 -0.09 3.99 0.00 -0.46 -3.16 107.32 104.21 3a3d s GLY 422 Ca 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.07 3a3d s GLY 422 CO 0.38 1.38 -0.07 -0.56 0.00 0.00 0.00 173.10 174.23 3a3d s SER 423 N 2.07 1.85 0.22 1.64 0.01 -1.26 -0.34 113.70 117.88 3a3d s SER 423 Ca 0.04 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 3a3d s SER 423 Cb -0.13 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.33 3a3d s SER 423 CO -0.05 -0.09 0.17 -0.76 0.41 0.00 0.00 173.24 172.91 3a3d s LEU 424 N 1.45 1.16 -0.18 2.44 1.43 -1.10 -4.75 118.68 119.12 3a3d s LEU 424 Ca -0.01 -1.40 -0.37 0.00 -1.03 0.00 0.00 54.13 51.32 3a3d s LEU 424 Cb -0.13 0.49 -0.14 0.00 0.03 0.00 0.00 46.19 46.43 3a3d s LEU 424 CO -0.04 -0.88 1.78 1.17 0.23 0.00 0.00 176.35 178.60 3a3d n LYS 425 N -0.31 1.60 -1.00 1.70 4.81 -1.26 -1.41 118.16 122.29 3a3d n LYS 425 Ca 0.02 0.59 -0.00 0.00 -0.87 0.00 0.00 58.31 58.05 3a3d n LYS 425 Cb 0.65 -2.34 -0.00 0.00 0.02 0.00 0.00 35.03 33.37 3a3d n LYS 425 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3d n GLY 426 N 4.20 0.48 3.01 3.14 0.00 -1.26 -4.92 105.19 109.84 3a3d n GLY 426 Ca 0.24 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 3a3d n GLY 426 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3d s VAL 427 N -1.97 1.26 -0.38 1.61 1.01 -0.50 -1.63 120.40 119.80 3a3d s VAL 427 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3a3d s VAL 427 Cb 0.00 -1.18 0.13 0.00 0.00 0.00 0.00 36.38 35.33 3a3d s VAL 427 CO 0.00 0.39 0.20 -0.31 0.00 0.00 0.00 175.10 175.38 3a3d s TYR 428 N 1.04 1.44 0.17 5.22 2.02 -0.25 -2.72 117.35 124.27 3a3d s TYR 428 Ca -0.07 -1.97 0.08 0.00 -0.37 0.00 0.00 57.07 54.75 3a3d s TYR 428 Cb -0.15 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3a3d s TYR 428 CO -0.01 -0.82 -0.09 -0.80 -1.57 0.00 0.00 175.55 172.26 3a3d s ASN 429 N 0.90 4.30 0.01 2.29 0.01 0.54 -3.30 114.94 119.68 3a3d s ASN 429 Ca 0.16 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.78 3a3d s ASN 429 Cb -0.22 -0.75 -0.01 0.00 0.41 0.00 0.00 41.25 40.67 3a3d s ASN 429 CO -0.06 0.12 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.85 3a3d s LEU 430 N -2.72 2.09 -0.03 0.60 1.43 0.08 -1.36 118.68 118.77 3a3d s LEU 430 Ca 0.24 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3a3d s LEU 430 Cb -0.09 -0.10 0.03 0.00 0.03 0.00 0.00 46.19 46.06 3a3d s LEU 430 CO 0.15 -0.07 0.05 0.00 0.23 0.00 0.00 176.35 176.71 3a3d s ALA 431 N -0.55 0.06 0.00 4.21 0.00 -0.22 -0.47 121.76 124.79 3a3d s ALA 431 Ca -0.04 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3a3d s ALA 431 Cb -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3a3d s ALA 431 CO -0.00 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3a3d n GLY 432 N 4.43 -0.64 3.12 0.00 0.00 -0.56 -0.77 105.19 110.78 3a3d n GLY 432 Ca -0.22 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 3a3d n GLY 432 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a3d s PHE 433 N -3.52 0.68 0.17 1.61 0.08 -0.26 -1.01 117.98 115.73 3a3d s PHE 433 Ca 0.00 -1.06 -0.15 0.00 0.12 0.00 0.00 56.93 55.84 3a3d s PHE 433 Cb 0.00 -0.45 0.02 0.00 -0.57 0.00 0.00 43.02 42.02 3a3d s PHE 433 CO 0.00 -0.35 0.42 0.00 -0.10 0.00 0.00 175.22 175.19 3a3d s MET 434 N -3.92 1.23 -0.15 0.44 0.23 0.12 -1.30 119.30 115.94 3a3d s MET 434 Ca 0.12 -0.91 -0.08 0.00 -1.03 0.00 0.00 55.69 53.79 3a3d s MET 434 Cb 0.07 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.80 3a3d s MET 434 CO -0.06 -0.49 0.12 0.99 -2.03 0.00 0.00 175.02 173.55 3a3d s THR 435 N -3.88 5.37 0.46 3.16 2.01 -1.26 -0.51 115.64 120.99 3a3d s THR 435 Ca 0.09 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 3a3d s THR 435 Cb 0.01 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.24 3a3d s THR 435 CO -0.05 0.55 0.63 -0.46 -0.69 0.00 0.00 174.62 174.60 3a3d n ASN 436 N 2.59 0.84 0.17 3.53 0.23 -0.16 -4.91 115.26 117.56 3a3d n ASN 436 Ca -0.18 -1.71 0.13 0.00 -0.53 0.00 0.00 54.58 52.28 3a3d n ASN 436 Cb 0.54 -0.41 0.56 0.00 -2.08 0.00 0.00 39.78 38.39 3a3d n ASN 436 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a3d h ALA 437 N -0.56 1.00 -0.50 -2.53 0.00 -1.51 -1.20 119.26 113.95 3a3d h ALA 437 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a3d h ALA 437 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3a3d h ALA 437 CO 0.22 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.01 3a3d n ARG 438 N -2.41 2.58 -1.04 0.00 1.74 -1.26 -4.96 116.66 111.31 3a3d n ARG 438 Ca 0.01 -2.42 -0.02 0.00 -0.77 0.00 0.00 57.85 54.66 3a3d n ARG 438 Cb 0.21 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3a3d n ARG 438 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a3d n GLY 439 N 1.55 0.52 3.94 -0.13 0.00 -0.45 -5.04 105.19 105.57 3a3d n GLY 439 Ca 0.21 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 3a3d n GLY 439 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3d s GLU 440 N -1.61 3.46 -0.05 1.61 2.02 -1.26 -4.82 118.70 118.04 3a3d s GLU 440 Ca 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 54.97 54.33 3a3d s GLU 440 Cb 0.00 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 3a3d s GLU 440 CO 0.00 0.49 0.39 0.21 0.02 0.00 0.00 175.26 176.37 3a3d s LYS 441 N -3.21 4.03 -0.14 1.61 2.20 -1.26 -0.98 119.74 121.99 3a3d s LYS 441 Ca 0.36 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 56.32 3a3d s LYS 441 Cb -0.11 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3a3d s LYS 441 CO 0.29 0.52 -0.17 0.08 -0.36 0.00 0.00 175.35 175.71 3a3d s VAL 442 N -0.49 2.62 -0.00 4.02 1.01 0.33 -0.66 120.40 127.23 3a3d s VAL 442 Ca 0.23 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3a3d s VAL 442 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3a3d s VAL 442 CO 0.11 0.53 0.22 0.00 0.00 0.00 0.00 175.10 175.96 3a3d s ALA 443 N 0.61 3.90 -0.03 5.51 0.00 -0.40 -0.70 121.76 130.65 3a3d s ALA 443 Ca -0.09 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 3a3d s ALA 443 Cb -0.16 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.01 3a3d s ALA 443 CO 0.03 0.69 0.30 -0.59 0.00 0.00 0.00 175.76 176.20 3a3d s PHE 444 N -1.31 -0.19 -0.07 0.00 -0.12 -0.18 -0.53 117.98 115.59 3a3d s PHE 444 Ca 0.27 0.31 0.01 0.00 -0.05 0.00 0.00 56.93 57.47 3a3d s PHE 444 Cb -0.13 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.37 3a3d s PHE 444 CO 0.17 -0.36 -0.07 0.08 -0.05 0.00 0.00 175.22 174.99 3a3d s VAL 445 N -1.15 0.81 -0.23 -2.49 1.01 -0.18 -1.50 120.40 116.67 3a3d s VAL 445 Ca -0.12 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3a3d s VAL 445 Cb -0.05 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.57 3a3d s VAL 445 CO 0.04 0.30 -0.10 -1.58 0.00 0.00 0.00 175.10 173.75 3a3d s GLN 446 N 1.10 2.11 -0.12 2.72 0.74 0.39 -1.39 119.66 125.21 3a3d s GLN 446 Ca -0.07 -1.05 0.01 0.00 0.05 0.00 0.00 55.36 54.30 3a3d s GLN 446 Cb -0.14 -2.63 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 3a3d s GLN 446 CO -0.01 -0.49 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.02 3a3d s PHE 447 N 1.28 2.74 -0.11 1.67 0.08 0.12 -0.74 117.98 123.02 3a3d s PHE 447 Ca -0.04 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.28 3a3d s PHE 447 Cb -0.18 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3a3d s PHE 447 CO -0.07 -0.25 -0.11 0.42 -0.10 0.00 0.00 175.22 175.10 3a3d s ILE 448 N 0.31 1.24 0.32 0.64 1.01 -1.21 0.14 121.20 123.65 3a3d s ILE 448 Ca -0.12 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3a3d s ILE 448 Cb -0.16 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 3a3d s ILE 448 CO 0.06 0.39 0.04 0.20 0.00 0.00 0.00 174.94 175.64 3a3d s ASN 449 N 1.25 2.45 -1.31 3.58 0.01 0.24 -1.09 114.94 120.05 3a3d s ASN 449 Ca -0.03 -1.34 0.00 0.00 -0.71 0.00 0.00 52.86 50.78 3a3d s ASN 449 Cb -0.14 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.42 3a3d s ASN 449 CO -0.04 -0.56 0.00 0.61 -1.51 0.00 0.00 177.10 175.60 3a3d n GLY 450 N -0.67 -0.16 3.54 0.66 0.00 -0.92 -1.17 105.19 106.48 3a3d n GLY 450 Ca -0.03 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3a3d n GLY 450 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a3d s TYR 451 N -2.75 3.16 -0.07 1.61 5.04 -0.65 -3.56 117.35 120.13 3a3d s TYR 451 Ca 0.00 0.08 -0.03 0.00 -2.44 0.00 0.00 57.07 54.68 3a3d s TYR 451 Cb 0.00 -3.00 0.04 0.00 0.35 0.00 0.00 41.96 39.35 3a3d s TYR 451 CO 0.00 -0.62 0.13 0.45 -1.34 0.00 0.00 175.55 174.17 3a3d s SER 452 N 1.81 0.73 0.00 4.32 0.15 -1.26 -4.18 113.70 115.27 3a3d s SER 452 Ca 0.19 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.09 3a3d s SER 452 Cb -0.15 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 3a3d s SER 452 CO 0.14 -0.23 0.35 0.35 1.20 0.00 0.00 173.24 175.05 3a3d n THR 453 N 5.15 0.00 -1.10 6.45 -2.24 -1.26 -4.85 114.28 116.43 3a3d n THR 453 Ca -0.08 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3a3d n THR 453 Cb 0.50 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3a3d n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3d n GLY 454 N 0.23 3.89 3.83 3.38 0.00 -1.26 -4.91 105.19 110.36 3a3d n GLY 454 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 3a3d n GLY 454 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a3d s ASP 455 N 1.77 2.27 0.25 1.61 1.01 -1.26 -4.95 116.67 117.36 3a3d s ASP 455 Ca 0.00 0.30 -0.30 0.00 0.71 0.00 0.00 52.55 53.26 3a3d s ASP 455 Cb 0.00 -0.34 -0.10 0.00 1.01 0.00 0.00 42.92 43.50 3a3d s ASP 455 CO 0.00 -3.26 1.40 -0.76 0.21 0.00 0.00 175.17 172.76 3a3d s LEU 456 N -6.25 4.39 -0.17 1.23 1.02 -1.26 -3.60 118.68 114.05 3a3d s LEU 456 Ca 0.75 2.62 0.00 0.00 0.02 0.00 0.00 54.13 57.52 3a3d s LEU 456 Cb -0.04 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.54 3a3d s LEU 456 CO 0.54 -0.66 0.00 -0.62 0.02 0.00 0.00 176.35 175.64 3a3d n GLU 457 N 2.24 -1.16 -2.36 1.70 1.02 -1.26 -5.03 120.64 115.79 3a3d n GLU 457 Ca 0.06 0.38 -0.32 0.00 -0.02 0.00 0.00 57.16 57.26 3a3d n GLU 457 Cb 0.41 -4.31 -0.03 0.00 -0.02 0.00 0.00 31.44 27.50 3a3d n GLU 457 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3a3d s SER 458 N -2.11 6.42 0.02 1.62 0.01 -1.24 -5.09 113.70 113.33 3a3d s SER 458 Ca 0.00 1.67 -0.28 0.00 1.31 0.00 0.00 55.95 58.65 3a3d s SER 458 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3a3d s SER 458 CO 0.00 -0.73 0.88 -0.54 0.41 0.00 0.00 173.24 173.27 3a3d s LYS 459 N -3.92 4.55 -0.07 12.44 -0.14 -1.26 -4.83 119.74 126.51 3a3d s LYS 459 Ca 0.61 1.26 -0.25 0.00 -1.36 0.00 0.00 55.97 56.23 3a3d s LYS 459 Cb -0.12 -3.42 -0.03 0.00 -1.68 0.00 0.00 37.83 32.58 3a3d s LYS 459 CO 0.30 0.09 0.77 0.99 -0.76 0.00 0.00 175.35 176.74 3a3d s THR 460 N 0.56 4.99 -0.08 2.17 2.01 -1.26 -4.86 115.64 119.17 3a3d s THR 460 Ca 0.46 1.57 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 3a3d s THR 460 Cb -0.21 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.13 3a3d s THR 460 CO 0.26 0.20 2.06 -0.75 -0.69 0.00 0.00 174.62 175.70 3a3d s LYS 461 N 1.08 3.71 0.00 4.92 2.47 -1.26 -4.87 119.74 125.78 3a3d s LYS 461 Ca 0.40 2.34 0.26 0.00 -1.56 0.00 0.00 55.97 57.41 3a3d s LYS 461 Cb -0.18 -4.25 0.73 0.00 -1.46 0.00 0.00 37.83 32.67 3a3d s LYS 461 CO 0.19 -1.45 1.55 0.54 0.16 0.00 0.00 175.35 176.34 3a3d n ARG 462 N 8.06 0.59 -0.25 4.03 1.74 -1.26 -4.40 116.66 125.17 3a3d n ARG 462 Ca 0.24 -0.33 -0.03 0.00 -0.77 0.00 0.00 57.85 56.95 3a3d n ARG 462 Cb 0.43 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.45 3a3d n ARG 462 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a3d h ALA 463 N 3.48 0.91 -0.47 7.54 0.00 -2.00 -0.41 119.26 128.32 3a3d h ALA 463 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3a3d h ALA 463 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3a3d h ALA 463 CO 0.00 0.21 0.13 -1.35 0.00 0.00 0.00 179.25 178.24 3a3d h PRO 464 N 0.85 0.69 -0.46 0.00 0.11 -1.84 -2.21 132.00 129.13 3a3d h PRO 464 Ca 0.28 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 3a3d h PRO 464 Cb 0.02 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3a3d h PRO 464 CO -0.11 0.61 0.08 1.25 -0.21 0.00 0.00 178.00 179.63 3a3d h LEU 465 N 0.67 0.73 -0.77 2.35 5.85 -1.55 -1.33 115.31 121.26 3a3d h LEU 465 Ca 0.16 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3a3d h LEU 465 Cb 0.22 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3a3d h LEU 465 CO -0.01 0.80 0.42 0.58 -0.34 0.00 0.00 178.44 179.88 3a3d h VAL 466 N 0.63 1.23 -0.19 1.05 2.07 -0.74 -0.55 116.25 119.75 3a3d h VAL 466 Ca 0.14 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3a3d h VAL 466 Cb 0.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3a3d h VAL 466 CO 0.01 0.26 0.07 -0.61 0.02 0.00 0.00 177.57 177.31 3a3d h GLN 467 N 1.06 0.28 0.07 1.57 4.15 -1.28 -0.01 115.11 120.95 3a3d h GLN 467 Ca 0.27 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.65 3a3d h GLN 467 Cb 0.04 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3a3d h GLN 467 CO -0.04 0.37 -0.17 0.35 -1.93 0.00 0.00 178.83 177.40 3a3d h PHE 468 N 0.14 -0.46 -0.39 3.99 3.57 -0.86 -2.29 116.94 120.65 3a3d h PHE 468 Ca 0.06 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 3a3d h PHE 468 Cb 0.20 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3a3d h PHE 468 CO -0.01 -0.26 -0.18 0.93 -2.23 0.00 0.00 178.31 176.56 3a3d h GLU 469 N -0.32 0.81 -0.57 1.11 5.08 -1.02 0.93 114.58 120.59 3a3d h GLU 469 Ca 0.03 -0.35 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3a3d h GLU 469 Cb 0.36 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3a3d h GLU 469 CO -0.12 0.98 0.24 -0.09 -1.00 0.00 0.00 179.01 179.03 3a3d h ARG 470 N 0.61 0.44 -0.14 2.33 2.43 -0.97 -1.01 114.38 118.07 3a3d h ARG 470 Ca 0.09 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3a3d h ARG 470 Cb 0.73 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3a3d h ARG 470 CO 0.06 0.29 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.75 3a3d h ASN 471 N 0.45 0.37 -0.35 -3.80 2.35 -1.24 -1.73 115.58 111.63 3a3d h ASN 471 Ca 0.28 -0.48 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 3a3d h ASN 471 Cb 0.28 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3a3d h ASN 471 CO -0.25 0.78 0.17 0.25 -1.65 0.00 0.00 177.43 176.73 3a3d h LEU 472 N -0.03 0.24 -0.37 1.61 5.85 -0.61 -0.67 115.31 121.32 3a3d h LEU 472 Ca 0.02 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 3a3d h LEU 472 Cb 0.68 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3a3d h LEU 472 CO 0.04 0.18 -0.72 1.88 -0.34 0.00 0.00 178.44 179.47 3a3d h TYR 473 N 0.35 0.00 -0.66 1.25 0.05 -1.23 -0.74 116.97 115.99 3a3d h TYR 473 Ca 0.15 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 3a3d h TYR 473 Cb 0.07 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3a3d h TYR 473 CO -0.11 0.72 0.22 -0.91 -1.05 0.00 0.00 178.16 177.04 3a3d h ASN 474 N 0.00 0.92 -0.64 3.88 4.21 -1.25 -0.35 115.58 122.36 3a3d h ASN 474 Ca -0.01 -0.15 -0.07 0.00 1.21 0.00 0.00 56.30 57.28 3a3d h ASN 474 Cb 1.38 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 38.32 3a3d h ASN 474 CO 0.09 0.85 0.13 -0.33 -1.29 0.00 0.00 177.43 176.88 3a3d h GLU 475 N 0.96 1.04 -0.70 0.81 4.39 -0.45 -2.31 114.58 118.33 3a3d h GLU 475 Ca 0.22 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3a3d h GLU 475 Cb 0.24 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3a3d h GLU 475 CO -0.01 0.95 0.20 -0.07 -1.16 0.00 0.00 179.01 178.93 3a3d h LEU 476 N 0.96 1.01 -0.97 1.33 3.38 -1.00 -0.92 115.31 119.11 3a3d h LEU 476 Ca 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a3d h LEU 476 Cb 0.40 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3a3d h LEU 476 CO 0.01 0.95 0.37 0.22 0.09 0.00 0.00 178.44 180.08 3a3d h TYR 477 N 1.04 1.10 0.00 1.13 3.20 -0.81 -3.28 116.97 119.34 3a3d h TYR 477 Ca 0.22 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3a3d h TYR 477 Cb 0.31 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3a3d h TYR 477 CO 0.02 0.80 -1.13 1.63 -1.64 0.00 0.00 178.16 177.84 3a3d n LYS 478 N -4.32 0.18 0.00 1.82 5.02 -0.89 -1.28 118.16 118.69 3a3d n LYS 478 Ca 0.08 -0.04 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 3a3d n LYS 478 Cb 0.14 -1.53 0.05 0.00 -0.02 0.00 0.00 35.03 33.68 3a3d n LYS 478 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86