#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brw n THR 77 N 0.00 0.19 -0.70 1.09 5.66 -1.26 -5.16 114.28 114.11 3brw n THR 77 Ca 0.00 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 3brw n THR 77 Cb 0.00 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 3brw n THR 77 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3brw n LYS 78 N -2.18 -1.94 -2.61 1.09 5.02 -1.26 -4.99 118.16 111.29 3brw n LYS 78 Ca -0.05 1.47 -0.33 0.00 -2.02 0.00 0.00 58.31 57.38 3brw n LYS 78 Cb 0.59 -1.71 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 3brw n LYS 78 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3brw s VAL 79 N -3.37 4.37 0.72 -0.18 0.11 -1.26 -5.03 120.40 115.76 3brw s VAL 79 Ca 0.00 1.34 -0.16 0.00 -2.93 0.00 0.00 61.98 60.23 3brw s VAL 79 Cb 0.00 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 3brw s VAL 79 CO 0.00 -0.45 1.18 0.29 -3.33 0.00 0.00 175.10 172.78 3brw n LYS 80 N -1.06 0.66 -2.36 1.54 4.76 -1.26 -4.98 118.16 115.46 3brw n LYS 80 Ca 0.07 0.29 -0.41 0.00 -2.87 0.00 0.00 58.31 55.39 3brw n LYS 80 Cb 0.54 -2.42 -0.04 0.00 -1.84 0.00 0.00 35.03 31.27 3brw n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3brw s LEU 81 N -4.43 4.50 0.00 -0.35 2.01 -1.26 -4.91 118.68 114.24 3brw s LEU 81 Ca 0.77 2.37 -0.02 0.00 0.01 0.00 0.00 54.13 57.26 3brw s LEU 81 Cb -0.34 -3.63 -0.11 0.00 0.01 0.00 0.00 46.19 42.12 3brw s LEU 81 CO 0.46 -0.29 2.57 -0.62 1.01 0.00 0.00 176.35 179.48 3brw n GLU 82 N 1.36 1.35 -1.30 1.70 1.02 -1.26 -4.87 120.64 118.64 3brw n GLU 82 Ca 0.00 -0.40 -0.29 0.00 -0.02 0.00 0.00 57.16 56.45 3brw n GLU 82 Cb 0.44 -1.42 0.15 0.00 -0.02 0.00 0.00 31.44 30.59 3brw n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3brw n ASN 84 N -3.93 2.70 0.03 0.00 5.15 -1.26 -4.83 115.26 113.12 3brw n ASN 84 Ca 0.06 0.35 0.07 0.00 -0.60 0.00 0.00 54.58 54.47 3brw n ASN 84 Cb 0.57 -1.40 0.49 0.00 -0.53 0.00 0.00 39.78 38.92 3brw n ASN 84 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3brw h PRO 85 N 13.36 0.38 0.00 1.20 0.13 -1.93 -1.75 132.00 143.39 3brw h PRO 85 Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3brw h PRO 85 Cb 1.28 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3brw h PRO 85 CO 0.99 0.25 0.00 -2.37 -0.23 0.00 0.00 178.00 176.64 3brw n THR 86 N -4.48 0.87 -0.03 1.56 5.66 -1.26 -3.12 114.28 113.47 3brw n THR 86 Ca 0.04 0.22 -0.14 0.00 -3.05 0.00 0.00 64.05 61.12 3brw n THR 86 Cb 0.16 -0.94 -0.10 0.00 -1.55 0.00 0.00 70.33 67.90 3brw n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3brw h ALA 87 N 2.57 0.03 0.00 1.79 0.00 -1.60 -3.31 119.26 118.74 3brw h ALA 87 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3brw h ALA 87 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3brw h ALA 87 CO 0.00 -0.10 0.00 2.89 0.00 0.00 0.00 179.25 182.04 3brw n ARG 88 N -4.71 0.96 0.34 0.00 1.85 -1.18 -3.95 116.66 109.97 3brw n ARG 88 Ca -0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.63 3brw n ARG 88 Cb 0.35 -1.07 -0.06 0.00 -1.05 0.00 0.00 32.46 30.63 3brw n ARG 88 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3brw h ILE 89 N 0.00 0.00 -0.76 8.89 2.04 -1.71 -2.92 117.51 123.05 3brw h ILE 89 Ca 0.00 -0.09 0.15 0.00 1.00 0.00 0.00 64.86 65.93 3brw h ILE 89 Cb 0.00 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.94 3brw h ILE 89 CO 0.00 0.00 -0.20 0.22 0.00 0.00 0.00 178.15 178.17 3brw h TYR 90 N -0.97 -0.44 -0.84 1.37 5.03 -1.84 0.94 116.97 120.22 3brw h TYR 90 Ca -0.09 0.07 0.14 0.00 2.58 0.00 0.00 58.73 61.43 3brw h TYR 90 Cb 0.68 0.31 -0.15 0.00 1.55 0.00 0.00 36.73 39.13 3brw h TYR 90 CO 0.05 -0.33 -0.33 -0.09 -1.32 0.00 0.00 178.16 176.14 3brw h ARG 91 N -0.01 -0.05 -0.02 1.82 9.65 -1.79 -1.01 114.38 122.96 3brw h ARG 91 Ca 0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 3brw h ARG 91 Cb 0.56 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3brw h ARG 91 CO -0.79 -0.04 -0.29 0.36 2.80 0.00 0.00 179.97 182.02 3brw n LYS 92 N -5.48 1.57 0.00 0.20 -0.00 0.26 -3.91 118.16 110.81 3brw n LYS 92 Ca 0.09 -1.27 0.00 0.00 -0.00 0.00 0.00 58.31 57.12 3brw n LYS 92 Cb 0.39 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.95 3brw n LYS 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3brw n HIS 93 N 0.40 0.00 -0.12 5.58 8.25 -0.79 -4.90 115.22 123.64 3brw n HIS 93 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.37 3brw n HIS 93 Cb 0.50 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 3brw n HIS 93 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3brw n PHE 94 N -2.48 0.09 -2.04 4.41 3.01 -0.45 -4.77 117.46 115.24 3brw n PHE 94 Ca 0.00 0.02 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 3brw n PHE 94 Cb 0.50 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 38.93 3brw n PHE 94 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3brw s LEU 95 N -6.76 4.33 0.00 4.37 2.96 -0.83 -2.41 118.68 120.34 3brw s LEU 95 Ca -0.35 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 3brw s LEU 95 Cb 0.10 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3brw s LEU 95 CO 0.59 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3brw n GLY 96 N 3.97 0.64 3.40 7.98 0.00 -1.26 -4.89 105.19 115.03 3brw n GLY 96 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3brw n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3brw s LYS 97 N -0.23 1.57 -0.23 1.61 3.01 -1.01 -5.10 119.74 119.35 3brw s LYS 97 Ca 0.00 -1.87 -0.29 0.00 -1.01 0.00 0.00 55.97 52.80 3brw s LYS 97 Cb 0.00 -0.61 -0.01 0.00 -1.01 0.00 0.00 37.83 36.20 3brw s LYS 97 CO 0.00 -0.25 1.39 -1.21 0.51 0.00 0.00 175.35 175.79 3brw s GLU 98 N -3.94 3.98 0.00 1.68 2.02 -1.26 -4.95 118.70 116.23 3brw s GLU 98 Ca 0.37 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.85 3brw s GLU 98 Cb 0.08 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.42 3brw s GLU 98 CO 0.15 -1.05 0.00 -2.39 0.02 0.00 0.00 175.26 171.99 3brw n HIS 99 N 7.55 0.00 -3.97 1.61 1.44 -1.26 -4.63 115.22 115.96 3brw n HIS 99 Ca 0.16 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.74 3brw n HIS 99 Cb 0.46 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.43 3brw n HIS 99 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3brw s PHE 100 N -1.62 0.19 -0.09 -1.40 0.40 -0.40 -5.00 117.98 110.06 3brw s PHE 100 Ca 0.00 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 3brw s PHE 100 Cb 0.00 -0.13 0.01 0.00 0.51 0.00 0.00 43.02 43.41 3brw s PHE 100 CO 0.00 -0.03 -0.19 -0.80 0.70 0.00 0.00 175.22 174.91 3brw s ASN 101 N -0.27 2.53 0.11 1.36 0.01 -1.26 -0.91 114.94 116.50 3brw s ASN 101 Ca -0.02 -0.45 0.07 0.00 -0.71 0.00 0.00 52.86 51.76 3brw s ASN 101 Cb -0.02 -1.16 -0.04 0.00 0.41 0.00 0.00 41.25 40.44 3brw s ASN 101 CO -0.00 0.09 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.19 3brw s TYR 102 N 0.56 1.65 0.05 2.20 1.51 0.20 -0.17 117.35 123.35 3brw s TYR 102 Ca -0.15 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.49 3brw s TYR 102 Cb -0.17 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 3brw s TYR 102 CO 0.05 0.20 -0.11 1.52 -1.11 0.00 0.00 175.55 176.11 3brw s TYR 103 N -1.53 0.91 0.27 2.71 -0.85 -0.13 -0.77 117.35 117.97 3brw s TYR 103 Ca 0.08 -0.44 -0.15 0.00 -0.52 0.00 0.00 57.07 56.03 3brw s TYR 103 Cb -0.08 -0.53 0.01 0.00 0.38 0.00 0.00 41.96 41.73 3brw s TYR 103 CO 0.04 -0.02 0.58 0.45 -1.52 0.00 0.00 175.55 175.08 3brw s SER 104 N -1.48 -0.10 -0.39 -0.18 0.15 -0.97 -0.86 113.70 109.87 3brw s SER 104 Ca -0.05 -0.86 -0.02 0.00 0.70 0.00 0.00 55.95 55.72 3brw s SER 104 Cb -0.09 0.65 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 3brw s SER 104 CO 0.01 -1.25 0.16 -0.22 1.20 0.00 0.00 173.24 173.14 3brw s LEU 105 N -3.00 5.01 -0.21 3.45 2.96 -1.26 -2.07 118.68 123.56 3brw s LEU 105 Ca 0.19 -1.93 -0.18 0.00 -0.22 0.00 0.00 54.13 51.98 3brw s LEU 105 Cb -0.03 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3brw s LEU 105 CO 0.09 -0.48 0.52 -0.62 -1.32 0.00 0.00 176.35 174.53 3brw s ASP 106 N 1.63 6.54 0.00 3.68 2.15 -1.02 -4.90 116.67 124.76 3brw s ASP 106 Ca 0.07 0.65 0.29 0.00 0.43 0.00 0.00 52.55 53.99 3brw s ASP 106 Cb -0.22 -2.29 1.57 0.00 -0.30 0.00 0.00 42.92 41.68 3brw s ASP 106 CO -0.04 -0.19 2.04 0.35 -0.17 0.00 0.00 175.17 177.16 3brw n THR 107 N 4.62 0.04 -0.06 1.71 -2.24 -1.26 -1.16 114.28 115.92 3brw n THR 107 Ca -0.05 0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3brw n THR 107 Cb 0.50 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 3brw n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3brw n ALA 108 N -1.18 1.37 0.00 6.98 0.00 -1.26 -4.73 120.51 121.69 3brw n ALA 108 Ca 0.17 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3brw n ALA 108 Cb 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3brw n ALA 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3brw n LEU 109 N -3.08 0.00 0.00 0.00 4.77 -1.23 -5.15 117.00 112.32 3brw n LEU 109 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3brw n LEU 109 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 3brw n LEU 109 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3brw n GLY 110 N 2.50 0.40 3.77 -0.72 0.00 -0.31 -3.97 105.19 106.86 3brw n GLY 110 Ca 0.00 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 3brw n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3brw s HIS 111 N -0.29 3.08 -0.11 1.61 3.76 -1.26 -2.43 115.29 119.65 3brw s HIS 111 Ca 0.00 1.52 0.01 0.00 -0.15 0.00 0.00 55.06 56.43 3brw s HIS 111 Cb 0.00 -3.49 0.02 0.00 1.11 0.00 0.00 32.58 30.22 3brw s HIS 111 CO 0.00 -1.48 -0.11 -0.51 -0.85 0.00 0.00 174.74 171.79 3brw s LEU 112 N -2.21 1.48 -0.27 0.89 1.43 -0.88 -3.40 118.68 115.72 3brw s LEU 112 Ca 0.54 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3brw s LEU 112 Cb -0.34 -0.97 0.07 0.00 0.03 0.00 0.00 46.19 44.97 3brw s LEU 112 CO 0.44 -0.05 -0.08 -0.69 0.23 0.00 0.00 176.35 176.20 3brw s VAL 113 N 1.36 2.03 -0.08 -1.59 1.01 -0.91 -2.30 120.40 119.92 3brw s VAL 113 Ca -0.00 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.35 3brw s VAL 113 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3brw s VAL 113 CO -0.06 -0.12 -0.07 0.12 0.00 0.00 0.00 175.10 174.97 3brw s PHE 114 N 1.14 1.20 0.27 5.22 5.36 0.05 -1.07 117.98 130.16 3brw s PHE 114 Ca -0.06 -0.49 0.07 0.00 -0.96 0.00 0.00 56.93 55.49 3brw s PHE 114 Cb -0.20 -1.01 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 3brw s PHE 114 CO -0.06 -0.36 0.29 -1.12 -1.46 0.00 0.00 175.22 172.51 3brw s SER 115 N 1.32 5.75 -0.22 6.13 0.01 0.15 -0.63 113.70 126.21 3brw s SER 115 Ca -0.03 -0.20 -0.19 0.00 1.31 0.00 0.00 55.95 56.83 3brw s SER 115 Cb -0.14 -1.42 0.06 0.00 0.21 0.00 0.00 66.02 64.73 3brw s SER 115 CO -0.03 -0.16 0.57 -1.48 0.41 0.00 0.00 173.24 172.55 3brw s LEU 116 N -3.95 -0.24 -0.09 2.44 0.05 -0.09 -2.33 118.68 114.47 3brw s LEU 116 Ca 0.36 1.16 0.01 0.00 0.05 0.00 0.00 54.13 55.72 3brw s LEU 116 Cb -0.08 1.95 0.02 0.00 -2.05 0.00 0.00 46.19 46.03 3brw s LEU 116 CO 0.27 -0.20 -0.11 -0.75 -0.55 0.00 0.00 176.35 175.01 3brw s LYS 117 N 0.49 1.70 -0.21 1.48 2.20 -0.59 -1.28 119.74 123.53 3brw s LYS 117 Ca -0.02 -0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 55.02 3brw s LYS 117 Cb -0.04 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.72 3brw s LYS 117 CO -0.02 -0.10 0.61 -0.47 -0.36 0.00 0.00 175.35 175.02 3brw s TYR 118 N 1.09 3.36 0.09 4.03 6.14 -1.26 -0.89 117.35 129.91 3brw s TYR 118 Ca -0.06 0.89 -0.04 0.00 0.64 0.00 0.00 57.07 58.50 3brw s TYR 118 Cb -0.14 -2.79 -0.03 0.00 0.42 0.00 0.00 41.96 39.42 3brw s TYR 118 CO -0.02 -0.18 0.09 0.34 0.64 0.00 0.00 175.55 176.42 3brw s ASP 119 N 1.23 0.30 -0.03 4.32 2.15 -1.03 -5.01 116.67 118.60 3brw s ASP 119 Ca 0.28 -0.92 0.05 0.00 0.43 0.00 0.00 52.55 52.38 3brw s ASP 119 Cb -0.16 0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 42.74 3brw s ASP 119 CO 0.10 -0.70 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.54 3brw s VAL 120 N -3.93 1.41 -0.21 1.11 1.01 -1.26 -1.18 120.40 117.35 3brw s VAL 120 Ca 0.11 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3brw s VAL 120 Cb 0.06 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.27 3brw s VAL 120 CO -0.07 0.40 -0.13 0.27 0.00 0.00 0.00 175.10 175.58 3brw s ILE 121 N -0.13 2.48 0.00 2.22 -0.00 -0.59 -4.95 121.20 120.23 3brw s ILE 121 Ca 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 60.65 59.68 3brw s ILE 121 Cb -0.10 -2.17 0.00 0.00 -0.00 0.00 0.00 42.46 40.20 3brw s ILE 121 CO 0.01 0.37 0.00 0.61 -0.00 0.00 0.00 174.94 175.93 3brw n GLY 122 N 4.64 1.51 0.00 6.27 0.00 -1.26 -2.12 105.19 114.23 3brw n GLY 122 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3brw n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3brw n ASP 123 N 9.39 0.03 -4.64 1.61 5.75 -1.26 -5.02 116.55 122.41 3brw n ASP 123 Ca 0.00 -0.35 -0.43 0.00 -0.01 0.00 0.00 54.79 54.00 3brw n ASP 123 Cb 0.00 0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 40.67 3brw n ASP 123 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3brw s GLN 124 N -0.60 4.01 -0.15 0.11 -0.21 -0.90 -4.99 119.66 116.93 3brw s GLN 124 Ca 0.00 1.48 -0.19 0.00 0.02 0.00 0.00 55.36 56.66 3brw s GLN 124 Cb 0.00 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 30.11 3brw s GLN 124 CO 0.00 -1.00 0.55 -1.21 -2.12 0.00 0.00 175.29 171.51 3brw s GLU 125 N 4.01 4.28 0.30 2.91 2.02 -1.26 -1.54 118.70 129.42 3brw s GLU 125 Ca 0.58 0.53 0.00 0.00 0.02 0.00 0.00 54.97 56.10 3brw s GLU 125 Cb -0.20 -3.51 -0.00 0.00 0.10 0.00 0.00 34.13 30.52 3brw s GLU 125 CO 0.21 -0.03 0.01 -2.39 0.02 0.00 0.00 175.26 173.08 3brw n HIS 126 N 4.33 0.64 -3.29 1.61 1.44 -0.32 -0.50 115.22 119.13 3brw n HIS 126 Ca -0.04 -1.52 -0.09 0.00 -2.01 0.00 0.00 57.72 54.06 3brw n HIS 126 Cb 0.51 -0.18 -0.05 0.00 0.12 0.00 0.00 29.99 30.39 3brw n HIS 126 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3brw s LEU 127 N 0.00 -0.75 -0.14 2.39 2.96 0.55 -2.45 118.68 121.25 3brw s LEU 127 Ca 0.01 -1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 52.49 3brw s LEU 127 Cb 0.00 1.21 -0.02 0.00 0.50 0.00 0.00 46.19 47.88 3brw s LEU 127 CO 0.01 -0.23 1.31 -0.60 -1.32 0.00 0.00 176.35 175.53 3brw s ARG 128 N 1.70 4.24 0.06 1.98 3.52 -0.07 -2.59 118.95 127.78 3brw s ARG 128 Ca 0.16 1.74 0.05 0.00 -0.13 0.00 0.00 55.73 57.55 3brw s ARG 128 Cb -0.10 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 3brw s ARG 128 CO -0.07 -0.70 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.15 3brw s LEU 129 N 3.44 3.19 -0.27 -0.88 1.43 -0.82 -1.55 118.68 123.23 3brw s LEU 129 Ca 0.57 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3brw s LEU 129 Cb -0.24 -1.91 0.14 0.00 0.03 0.00 0.00 46.19 44.22 3brw s LEU 129 CO 0.17 0.22 0.38 -0.22 0.23 0.00 0.00 176.35 177.14 3brw s LEU 130 N -1.90 -0.66 -0.11 1.79 2.96 -0.99 -2.78 118.68 116.99 3brw s LEU 130 Ca 0.21 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3brw s LEU 130 Cb -0.11 1.06 -0.02 0.00 0.50 0.00 0.00 46.19 47.62 3brw s LEU 130 CO 0.12 -0.33 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.48 3brw s LEU 131 N 2.53 2.78 -0.17 -0.68 0.20 0.12 0.30 118.68 123.76 3brw s LEU 131 Ca 0.11 -0.28 -0.03 0.00 0.69 0.00 0.00 54.13 54.63 3brw s LEU 131 Cb -0.14 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 3brw s LEU 131 CO -0.23 0.21 -0.07 -0.13 -0.29 0.00 0.00 176.35 175.84 3brw s ARG 132 N 0.11 3.50 0.39 1.98 0.52 -0.23 0.73 118.95 125.95 3brw s ARG 132 Ca -0.06 -0.60 0.08 0.00 -0.52 0.00 0.00 55.73 54.63 3brw s ARG 132 Cb -0.15 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 3brw s ARG 132 CO 0.04 0.10 0.33 -0.08 0.02 0.00 0.00 175.30 175.72 3brw s THR 133 N 0.69 2.94 -1.43 0.02 -1.32 -0.54 -2.14 115.64 113.86 3brw s THR 133 Ca -0.03 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 3brw s THR 133 Cb -0.15 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 3brw s THR 133 CO 0.02 -0.07 0.11 1.17 -2.21 0.00 0.00 174.62 173.64 3brw n LYS 134 N -1.46 0.00 0.00 7.08 4.81 -1.22 -3.61 118.16 123.76 3brw n LYS 134 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3brw n LYS 134 Cb 0.61 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.51 3brw n LYS 134 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3brw n ARG 136 N -2.47 0.78 -3.43 0.00 0.00 -1.24 -5.01 116.66 105.30 3brw n ARG 136 Ca 0.00 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 3brw n ARG 136 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.37 3brw n ARG 136 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3brw s THR 137 N -1.61 -0.52 -0.12 5.15 -1.32 -1.26 -1.46 115.64 114.49 3brw s THR 137 Ca 0.00 -0.04 -0.16 0.00 -1.21 0.00 0.00 61.69 60.28 3brw s THR 137 Cb 0.00 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 3brw s THR 137 CO 0.00 -0.11 0.40 -0.31 -2.21 0.00 0.00 174.62 172.39 3brw s TYR 138 N 2.49 3.52 -0.02 9.09 2.02 0.22 -4.91 117.35 129.75 3brw s TYR 138 Ca 0.09 0.79 0.05 0.00 -0.37 0.00 0.00 57.07 57.63 3brw s TYR 138 Cb -0.15 -2.45 -0.01 0.00 -0.40 0.00 0.00 41.96 38.96 3brw s TYR 138 CO -0.14 0.24 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.34 3brw s HIS 139 N 0.39 1.50 -0.16 2.71 5.65 -1.26 -0.70 115.29 123.41 3brw s HIS 139 Ca 0.22 -0.34 -0.29 0.00 0.25 0.00 0.00 55.06 54.90 3brw s HIS 139 Cb -0.14 -0.99 0.09 0.00 -1.18 0.00 0.00 32.58 30.36 3brw s HIS 139 CO 0.08 -0.08 0.83 0.34 -0.65 0.00 0.00 174.74 175.27 3brw s ASP 140 N -0.18 -0.56 -0.12 9.88 2.15 -1.12 -5.04 116.67 121.68 3brw s ASP 140 Ca 0.02 0.80 -0.15 0.00 0.43 0.00 0.00 52.55 53.66 3brw s ASP 140 Cb -0.08 0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 43.21 3brw s ASP 140 CO 0.00 -0.39 0.35 -0.69 -0.17 0.00 0.00 175.17 174.27 3brw s VAL 141 N -0.62 5.24 -0.16 1.11 1.01 -1.26 -1.95 120.40 123.77 3brw s VAL 141 Ca -0.04 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.62 3brw s VAL 141 Cb -0.02 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3brw s VAL 141 CO 0.03 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.77 3brw s ILE 142 N 0.10 1.72 0.56 2.22 1.01 -1.07 -4.94 121.20 120.81 3brw s ILE 142 Ca 0.20 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 3brw s ILE 142 Cb -0.14 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3brw s ILE 142 CO 0.07 0.46 1.05 -2.16 0.00 0.00 0.00 174.94 174.36 3brw s PRO 143 N 1.42 3.49 -0.12 2.79 0.04 -1.26 -0.33 135.00 141.04 3brw s PRO 143 Ca 0.05 1.22 -0.06 0.00 0.04 0.00 0.00 61.00 62.24 3brw s PRO 143 Cb -0.13 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.40 3brw s PRO 143 CO -0.11 -0.67 0.28 -1.50 0.04 0.00 0.00 177.00 175.03 3brw s ILE 144 N -2.36 -0.04 0.00 0.56 1.10 0.35 -4.89 121.20 115.92 3brw s ILE 144 Ca 0.64 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.91 3brw s ILE 144 Cb -0.16 -0.42 0.00 0.00 0.15 0.00 0.00 42.46 42.03 3brw s ILE 144 CO 0.32 0.05 0.00 -1.20 -2.11 0.00 0.00 174.94 172.01 3brw n SER 145 N 4.19 0.00 -1.94 4.50 7.64 -1.26 -4.10 113.62 122.65 3brw n SER 145 Ca -0.25 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.49 3brw n SER 145 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 3brw n SER 145 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3brw n LEU 147 N 0.98 0.00 0.00 0.00 0.00 -1.26 -4.76 117.00 111.96 3brw n LEU 147 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.30 3brw n LEU 147 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.02 3brw n LEU 147 CO 0.25 0.00 0.00 1.07 0.00 0.00 0.00 177.39 178.71 3brw n THR 148 N -0.85 0.00 -1.96 1.96 5.66 -1.26 -4.71 114.28 113.12 3brw n THR 148 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 3brw n THR 148 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3brw n THR 148 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3brw s GLU 149 N 0.00 4.21 -0.46 1.09 2.12 -1.26 -4.99 118.70 119.40 3brw s GLU 149 Ca 0.00 2.29 -0.19 0.00 0.36 0.00 0.00 54.97 57.43 3brw s GLU 149 Cb 0.00 -3.60 0.04 0.00 0.26 0.00 0.00 34.13 30.83 3brw s GLU 149 CO 0.00 -0.72 0.56 -0.06 -0.54 0.00 0.00 175.26 174.50 3brw s PHE 150 N 2.64 3.10 -0.19 5.30 0.40 -1.26 -5.02 117.98 122.95 3brw s PHE 150 Ca 0.73 -0.41 -0.40 0.00 -0.60 0.00 0.00 56.93 56.25 3brw s PHE 150 Cb -0.39 -3.27 -0.17 0.00 0.51 0.00 0.00 43.02 39.70 3brw s PHE 150 CO 0.32 -0.88 1.56 -2.30 0.70 0.00 0.00 175.22 174.62 3brw n PRO 151 N 5.96 0.91 -0.98 0.24 -0.02 -1.26 -4.87 135.00 134.97 3brw n PRO 151 Ca -0.06 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 3brw n PRO 151 Cb 0.46 -1.96 0.13 0.00 -0.02 0.00 0.00 33.50 32.11 3brw n PRO 151 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3brw s ASN 152 N 2.36 3.58 0.54 2.55 2.20 -1.26 -4.53 114.94 120.38 3brw s ASN 152 Ca 0.95 2.11 0.23 0.00 -0.94 0.00 0.00 52.86 55.21 3brw s ASN 152 Cb -1.11 -2.56 1.41 0.00 -2.00 0.00 0.00 41.25 36.99 3brw s ASN 152 CO 0.62 -2.67 2.07 1.62 -2.94 0.00 0.00 177.10 175.80 3brw h VAL 153 N -1.40 0.77 -0.01 3.54 3.04 -1.99 0.84 116.25 121.03 3brw h VAL 153 Ca -0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 3brw h VAL 153 Cb 1.26 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3brw h VAL 153 CO 0.46 0.00 -0.06 0.58 -1.01 0.00 0.00 177.57 177.54 3brw h VAL 154 N 0.00 1.51 -0.35 1.51 2.07 -1.95 -2.08 116.25 116.97 3brw h VAL 154 Ca 0.14 -1.59 0.06 0.00 0.82 0.00 0.00 66.70 66.13 3brw h VAL 154 Cb 0.59 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 3brw h VAL 154 CO -0.00 0.42 0.05 1.56 0.02 0.00 0.00 177.57 179.62 3brw h GLN 155 N -0.57 0.16 -0.35 1.57 4.20 -1.53 -2.08 115.11 116.50 3brw h GLN 155 Ca -0.00 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3brw h GLN 155 Cb 0.72 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 3brw h GLN 155 CO 0.01 0.10 0.08 0.52 -0.67 0.00 0.00 178.83 178.88 3brw h MET 156 N 0.16 0.20 -0.58 1.46 2.86 -0.94 -1.07 114.93 117.03 3brw h MET 156 Ca 0.17 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.89 3brw h MET 156 Cb 0.20 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 3brw h MET 156 CO -0.24 0.13 0.19 0.00 1.06 0.00 0.00 176.91 178.05 3brw h ALA 157 N 1.25 0.72 0.00 6.32 0.00 -1.10 -0.62 119.26 125.83 3brw h ALA 157 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3brw h ALA 157 Cb 0.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3brw h ALA 157 CO -0.20 -0.23 0.00 0.87 0.00 0.00 0.00 179.25 179.69 3brw h LYS 158 N 0.35 0.00 -0.00 0.00 1.57 -0.58 -1.41 116.57 116.51 3brw h LYS 158 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3brw h LYS 158 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3brw h LYS 158 CO -0.32 0.00 -0.05 1.28 -0.57 0.00 0.00 179.45 179.79 3brw n LEU 159 N -2.99 0.07 0.00 2.94 4.77 -0.24 -3.61 117.00 117.94 3brw n LEU 159 Ca -0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3brw n LEU 159 Cb 0.22 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3brw n LEU 159 CO 0.24 0.02 -0.14 0.55 -1.33 0.00 0.00 177.39 176.73 3brw n VAL 160 N -1.41 0.00 -3.30 4.08 3.14 -0.94 -4.97 118.33 114.93 3brw n VAL 160 Ca 0.09 -0.31 -0.06 0.00 -2.96 0.00 0.00 64.34 61.10 3brw n VAL 160 Cb 0.31 0.83 -0.06 0.00 -1.06 0.00 0.00 33.84 33.86 3brw n VAL 160 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3brw h GLU 162 N 8.14 0.22 0.00 0.00 9.09 -1.83 -3.07 114.58 127.14 3brw h GLU 162 Ca -0.19 -0.19 0.00 0.00 0.05 0.00 0.00 59.36 59.03 3brw h GLU 162 Cb 1.15 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3brw h GLU 162 CO 0.27 0.85 0.00 -0.25 0.05 0.00 0.00 179.01 179.93 3brw n ASP 163 N -3.78 0.00 -4.69 3.06 9.92 -1.26 -4.73 116.55 115.07 3brw n ASP 163 Ca -0.03 0.14 -0.42 0.00 -0.53 0.00 0.00 54.79 53.95 3brw n ASP 163 Cb 0.70 -0.32 -0.03 0.00 -0.64 0.00 0.00 41.12 40.84 3brw n ASP 163 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3brw s VAL 164 N -2.64 3.36 -0.39 2.53 1.01 -1.16 -4.90 120.40 118.22 3brw s VAL 164 Ca 0.13 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.90 3brw s VAL 164 Cb 0.10 -3.49 0.16 0.00 0.00 0.00 0.00 36.38 33.15 3brw s VAL 164 CO 0.23 -0.01 0.30 0.21 0.00 0.00 0.00 175.10 175.84 3brw s ASN 165 N 2.24 1.86 0.18 3.32 3.04 -1.26 -4.86 114.94 119.46 3brw s ASN 165 Ca 0.69 -2.72 0.09 0.00 0.04 0.00 0.00 52.86 50.97 3brw s ASN 165 Cb -0.36 -0.36 -0.04 0.00 -1.54 0.00 0.00 41.25 38.95 3brw s ASN 165 CO 0.29 -0.22 -0.20 -0.69 -3.04 0.00 0.00 177.10 173.25 3brw s VAL 166 N 0.44 1.96 0.02 -5.21 1.01 -1.26 -4.78 120.40 112.58 3brw s VAL 166 Ca 0.28 -1.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.03 3brw s VAL 166 Cb -0.05 -1.93 -0.16 0.00 0.00 0.00 0.00 36.38 34.24 3brw s VAL 166 CO -0.12 -0.28 1.26 0.44 0.00 0.00 0.00 175.10 176.40 3brw h ASP 167 N 3.19 -0.45 -5.11 3.32 3.45 -2.00 -3.47 116.42 115.34 3brw h ASP 167 Ca -0.43 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 56.87 3brw h ASP 167 Cb 1.21 0.12 -0.12 0.00 -0.56 0.00 0.00 39.33 39.98 3brw h ASP 167 CO 0.51 -0.11 -0.07 0.00 -1.57 0.00 0.00 179.24 178.00 3brw s ARG 168 N -4.83 1.22 -0.03 3.56 3.03 -1.26 -5.00 118.95 115.63 3brw s ARG 168 Ca -0.14 -0.85 -0.06 0.00 2.03 0.00 0.00 55.73 56.70 3brw s ARG 168 Cb 0.02 0.48 -0.04 0.00 -1.03 0.00 0.00 34.95 34.37 3brw s ARG 168 CO 0.53 -0.49 0.22 -0.06 -1.13 0.00 0.00 175.30 174.37 3brw s PHE 169 N -3.86 3.58 -0.14 5.89 0.40 -1.26 -4.80 117.98 117.79 3brw s PHE 169 Ca 0.08 0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 56.85 3brw s PHE 169 Cb 0.01 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 3brw s PHE 169 CO -0.06 0.66 0.14 0.71 0.70 0.00 0.00 175.22 177.37 3brw s TYR 170 N -1.22 3.56 0.27 0.36 1.51 -0.04 -4.93 117.35 116.85 3brw s TYR 170 Ca 0.24 0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 56.49 3brw s TYR 170 Cb -0.13 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.64 3brw s TYR 170 CO 0.13 0.64 1.00 -1.25 -1.11 0.00 0.00 175.55 174.96 3brw s PRO 171 N -0.71 4.73 -0.03 -1.71 0.04 -1.26 -0.95 135.00 135.10 3brw s PRO 171 Ca 0.13 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 3brw s PRO 171 Cb -0.12 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 3brw s PRO 171 CO 0.03 0.37 0.80 0.08 0.04 0.00 0.00 177.00 178.31 3brw s VAL 172 N -1.24 4.96 0.00 -0.36 1.01 0.77 -4.89 120.40 120.64 3brw s VAL 172 Ca 0.44 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.09 3brw s VAL 172 Cb -0.27 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3brw s VAL 172 CO 0.34 0.23 0.47 0.18 0.00 0.00 0.00 175.10 176.32 3brw n LEU 173 N 3.72 0.82 -4.61 3.92 4.77 -1.26 -4.72 117.00 119.64 3brw n LEU 173 Ca 0.01 -0.82 -0.43 0.00 -0.03 0.00 0.00 56.01 54.74 3brw n LEU 173 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3brw n LEU 173 CO 0.49 0.21 1.10 -0.47 -1.33 0.00 0.00 177.39 177.38 3brw s TYR 174 N -0.19 2.71 -1.18 -1.77 5.04 -1.26 -4.91 117.35 115.80 3brw s TYR 174 Ca 0.00 0.80 0.02 0.00 -2.44 0.00 0.00 57.07 55.45 3brw s TYR 174 Cb 0.00 -4.19 0.10 0.00 0.35 0.00 0.00 41.96 38.23 3brw s TYR 174 CO 0.00 -1.50 0.99 -2.30 -1.34 0.00 0.00 175.55 171.40 3brw n PRO 175 N 7.66 0.01 0.00 4.97 -0.02 -1.26 -0.15 135.00 146.21 3brw n PRO 175 Ca 0.14 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 3brw n PRO 175 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 3brw n PRO 175 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3brw n LYS 176 N -1.41 0.08 -0.23 -0.52 3.00 -1.26 -4.65 118.16 113.16 3brw n LYS 176 Ca 0.01 -0.06 0.04 0.00 -0.00 0.00 0.00 58.31 58.29 3brw n LYS 176 Cb 0.02 -1.50 0.14 0.00 0.00 0.00 0.00 35.03 33.70 3brw n LYS 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3brw h ALA 177 N 3.06 0.77 -0.56 3.14 0.00 -0.95 -0.57 119.26 124.16 3brw h ALA 177 Ca 0.00 0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.25 3brw h ALA 177 Cb 0.52 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3brw h ALA 177 CO 0.00 -0.39 0.39 0.66 0.00 0.00 0.00 179.25 179.92 3brw h SER 178 N 0.16 0.10 0.75 0.00 4.64 -1.82 0.26 113.55 117.63 3brw h SER 178 Ca 0.38 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.45 3brw h SER 178 Cb 0.65 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3brw h SER 178 CO -0.56 0.05 -1.21 -0.09 -0.87 0.00 0.00 176.83 174.15 3brw h ARG 179 N 0.10 0.14 -0.50 4.77 1.12 -1.45 -2.21 114.38 116.36 3brw h ARG 179 Ca 0.27 -0.25 -0.10 0.00 -1.11 0.00 0.00 59.98 58.79 3brw h ARG 179 Cb 0.91 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.95 3brw h ARG 179 CO -0.03 1.07 -0.09 -0.07 -3.11 0.00 0.00 179.97 177.75 3brw h LEU 180 N 0.04 0.90 0.18 3.80 -0.00 -1.02 -2.95 115.31 116.26 3brw h LEU 180 Ca -0.11 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.88 57.49 3brw h LEU 180 Cb 1.90 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 42.32 3brw h LEU 180 CO 0.16 1.01 -0.09 0.40 -0.00 0.00 0.00 178.44 179.92 3brw h ILE 181 N 0.82 0.92 -0.26 1.22 2.04 -1.04 -2.86 117.51 118.35 3brw h ILE 181 Ca 0.14 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 65.20 3brw h ILE 181 Cb 0.61 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3brw h ILE 181 CO 0.04 0.19 0.20 1.62 0.00 0.00 0.00 178.15 180.20 3brw h VAL 182 N -0.70 0.78 0.00 1.67 3.04 -1.48 -0.71 116.25 118.85 3brw h VAL 182 Ca -0.02 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.61 3brw h VAL 182 Cb 0.49 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 3brw h VAL 182 CO 0.04 0.00 -0.38 0.00 -1.01 0.00 0.00 177.57 176.22 3brw h THR 183 N 0.00 0.42 0.15 3.17 1.03 -1.49 -2.28 112.91 113.92 3brw h THR 183 Ca 0.12 -1.61 -0.30 0.00 -0.01 0.00 0.00 66.41 64.61 3brw h THR 183 Cb 0.52 2.16 0.03 0.00 -1.07 0.00 0.00 68.15 69.79 3brw h THR 183 CO -0.00 0.24 -1.30 0.15 -0.01 0.00 0.00 175.52 174.60 3brw h PHE 184 N 0.00 0.91 -0.05 0.00 3.57 -0.91 -3.29 116.94 117.17 3brw h PHE 184 Ca -0.01 -0.60 -0.15 0.00 3.53 0.00 0.00 57.97 60.73 3brw h PHE 184 Cb 1.21 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3brw h PHE 184 CO 0.00 1.45 -0.65 -0.44 -2.23 0.00 0.00 178.31 176.45 3brw h ASP 185 N 0.21 0.22 -0.94 0.41 3.32 -1.42 -3.27 116.42 114.96 3brw h ASP 185 Ca -0.19 -0.14 -0.49 0.00 0.02 0.00 0.00 57.03 56.23 3brw h ASP 185 Cb 1.98 -0.07 -0.29 0.00 0.22 0.00 0.00 39.33 41.17 3brw h ASP 185 CO 0.24 0.81 0.62 -0.62 -1.72 0.00 0.00 179.24 178.57 3brw n GLU 186 N -3.83 2.20 0.05 3.56 1.02 -0.86 -4.22 120.64 118.57 3brw n GLU 186 Ca -0.02 -2.85 0.12 0.00 -0.02 0.00 0.00 57.16 54.39 3brw n GLU 186 Cb 0.64 -2.12 0.08 0.00 -0.02 0.00 0.00 31.44 30.02 3brw n GLU 186 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3brw n HIS 187 N -1.05 0.48 1.36 -0.32 1.44 -1.23 -3.74 115.22 112.16 3brw n HIS 187 Ca 0.57 0.14 0.13 0.00 -2.01 0.00 0.00 57.72 56.55 3brw n HIS 187 Cb 1.61 -0.60 0.44 0.00 0.12 0.00 0.00 29.99 31.56 3brw n HIS 187 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3brw n VAL 188 N -2.13 0.00 -3.65 0.61 0.24 -1.26 -4.69 118.33 107.45 3brw n VAL 188 Ca 0.02 -0.21 -0.36 0.00 -2.04 0.00 0.00 64.34 61.76 3brw n VAL 188 Cb 0.46 0.51 -0.08 0.00 -1.47 0.00 0.00 33.84 33.26 3brw n VAL 188 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3brw s ILE 189 N -2.22 5.37 0.05 1.34 1.01 -1.25 -4.75 121.20 120.75 3brw s ILE 189 Ca 0.32 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.35 3brw s ILE 189 Cb 0.20 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3brw s ILE 189 CO 0.42 0.42 -0.07 -0.94 0.00 0.00 0.00 174.94 174.77 3brw s SER 190 N 0.36 4.57 0.20 3.58 1.04 -1.26 -4.99 113.70 117.20 3brw s SER 190 Ca 0.12 -0.23 0.23 0.00 0.48 0.00 0.00 55.95 56.54 3brw s SER 190 Cb -0.12 -1.00 0.04 0.00 0.10 0.00 0.00 66.02 65.04 3brw s SER 190 CO 0.01 0.24 1.09 0.78 0.98 0.00 0.00 173.24 176.33 3brw h ASN 191 N 4.11 0.00 -4.86 7.02 4.21 -1.96 -3.48 115.58 120.62 3brw h ASN 191 Ca -0.48 -0.03 -0.22 0.00 1.21 0.00 0.00 56.30 56.78 3brw h ASN 191 Cb 1.17 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 38.16 3brw h ASN 191 CO 0.54 0.01 -0.72 0.54 -1.29 0.00 0.00 177.43 176.52 3brw s ASN 192 N -5.26 0.62 -0.01 5.81 6.03 -1.26 -1.01 114.94 119.85 3brw s ASN 192 Ca 0.00 -0.59 0.02 0.00 -1.03 0.00 0.00 52.86 51.26 3brw s ASN 192 Cb 0.10 0.07 0.00 0.00 -3.03 0.00 0.00 41.25 38.39 3brw s ASN 192 CO 0.78 -0.28 -0.06 -0.36 -2.03 0.00 0.00 177.10 175.15 3brw s PHE 193 N -1.70 0.60 -0.30 1.54 0.08 0.37 -4.95 117.98 113.62 3brw s PHE 193 Ca -0.10 -0.12 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 3brw s PHE 193 Cb -0.08 -0.43 0.03 0.00 -0.57 0.00 0.00 43.02 41.97 3brw s PHE 193 CO -0.01 -0.05 0.04 -1.59 -0.10 0.00 0.00 175.22 173.50 3brw s LYS 194 N 0.13 2.70 0.36 0.44 -2.85 -1.26 -0.27 119.74 118.99 3brw s LYS 194 Ca -0.01 -1.10 0.08 0.00 -1.00 0.00 0.00 55.97 53.94 3brw s LYS 194 Cb -0.06 -3.27 -0.04 0.00 -2.06 0.00 0.00 37.83 32.41 3brw s LYS 194 CO -0.00 -0.55 0.21 -0.06 0.10 0.00 0.00 175.35 175.04 3brw s PHE 195 N 1.36 2.74 0.11 1.78 0.08 -0.61 -4.54 117.98 118.91 3brw s PHE 195 Ca -0.02 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.70 3brw s PHE 195 Cb -0.19 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 3brw s PHE 195 CO 0.00 0.23 -0.07 0.20 -0.10 0.00 0.00 175.22 175.48 3brw s GLY 196 N -3.92 1.80 -0.07 4.36 0.00 -1.04 -0.24 107.32 108.22 3brw s GLY 196 Ca 0.40 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.89 3brw s GLY 196 CO 0.24 -1.24 -0.14 0.14 0.00 0.00 0.00 173.10 172.10 3brw s VAL 197 N -1.32 1.27 -0.02 1.40 1.01 -0.44 0.79 120.40 123.10 3brw s VAL 197 Ca 0.23 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3brw s VAL 197 Cb -0.11 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 3brw s VAL 197 CO 0.15 0.38 -0.11 -0.63 0.00 0.00 0.00 175.10 174.90 3brw s ILE 198 N 0.57 0.88 -0.25 2.22 1.01 -0.91 -2.30 121.20 122.43 3brw s ILE 198 Ca -0.14 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 3brw s ILE 198 Cb -0.16 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 3brw s ILE 198 CO 0.04 0.26 0.15 -0.47 0.00 0.00 0.00 174.94 174.93 3brw s TYR 199 N 0.01 3.26 -0.44 3.97 6.04 -1.26 -1.43 117.35 127.50 3brw s TYR 199 Ca -0.00 0.11 -0.12 0.00 0.04 0.00 0.00 57.07 57.10 3brw s TYR 199 Cb -0.07 -2.28 0.07 0.00 -1.04 0.00 0.00 41.96 38.64 3brw s TYR 199 CO 0.00 -0.03 0.31 -1.14 -1.54 0.00 0.00 175.55 173.15 3brw s GLN 200 N 1.24 2.78 0.49 4.97 0.74 -0.68 -4.74 119.66 124.46 3brw s GLN 200 Ca 0.07 -1.38 0.04 0.00 0.05 0.00 0.00 55.36 54.13 3brw s GLN 200 Cb -0.14 -3.93 0.02 0.00 1.10 0.00 0.00 33.01 30.06 3brw s GLN 200 CO 0.06 -0.97 0.68 -1.59 -0.55 0.00 0.00 175.29 172.92 3brw s LYS 201 N 1.53 2.71 0.19 1.67 0.00 -1.26 -4.00 119.74 120.57 3brw s LYS 201 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 55.97 55.07 3brw s LYS 201 Cb -0.23 -2.60 0.00 0.00 0.00 0.00 0.00 37.83 34.99 3brw s LYS 201 CO 0.04 -0.49 0.00 -0.11 0.00 0.00 0.00 175.35 174.80 3brw n LEU 202 N -2.12 0.00 -2.71 2.77 7.94 -1.26 -1.25 117.00 120.38 3brw n LEU 202 Ca 0.07 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.90 3brw n LEU 202 Cb 0.59 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.66 3brw n LEU 202 CO 0.43 0.00 0.48 0.61 -1.11 0.00 0.00 177.39 177.80 3brw n GLY 203 N 0.00 1.20 3.75 -3.96 0.00 -1.26 -4.78 105.19 100.13 3brw n GLY 203 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3brw n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brw s ALA 204 N 0.20 2.19 0.00 4.61 0.00 -0.38 -4.99 121.76 123.39 3brw s ALA 204 Ca 0.22 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3brw s ALA 204 Cb 0.38 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.14 3brw s ALA 204 CO -0.08 -1.76 0.00 0.25 0.00 0.00 0.00 175.76 174.17 3brw n THR 205 N -3.06 0.00 -1.84 0.00 -2.24 -1.26 -4.91 114.28 100.96 3brw n THR 205 Ca 0.11 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.71 3brw n THR 205 Cb 0.52 -0.25 0.12 0.00 -2.10 0.00 0.00 70.33 68.62 3brw n THR 205 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3brw n SER 206 N -2.03 0.29 0.20 3.42 3.41 -1.26 -4.75 113.62 112.90 3brw n SER 206 Ca 0.00 -1.43 -0.09 0.00 -0.26 0.00 0.00 58.87 57.09 3brw n SER 206 Cb 0.00 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.30 3brw n SER 206 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3brw h GLU 207 N 0.00 -0.55 0.00 4.33 5.08 -1.96 -3.36 114.58 118.11 3brw h GLU 207 Ca -0.27 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3brw h GLU 207 Cb 0.79 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 3brw h GLU 207 CO 0.21 -0.37 -0.13 1.49 -1.00 0.00 0.00 179.01 179.22 3brw h GLU 208 N -1.01 0.00 -0.96 2.33 4.81 -1.92 -0.14 114.58 117.69 3brw h GLU 208 Ca -0.06 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.33 3brw h GLU 208 Cb 0.44 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 3brw h GLU 208 CO 0.10 0.13 0.61 0.93 -0.73 0.00 0.00 179.01 180.04 3brw h GLU 209 N 0.00 0.73 0.00 1.92 5.08 -1.95 -2.84 114.58 117.52 3brw h GLU 209 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3brw h GLU 209 Cb 0.24 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3brw h GLU 209 CO 0.02 0.48 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.23 3brw h LEU 210 N 0.75 0.00 0.00 1.33 3.38 -1.19 -3.38 115.31 116.20 3brw h LEU 210 Ca 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3brw h LEU 210 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3brw h LEU 210 CO -0.27 0.66 0.00 0.49 0.09 0.00 0.00 178.44 179.41 3brw n PHE 211 N -4.70 0.00 0.57 1.13 3.72 -0.87 -1.87 117.46 115.45 3brw n PHE 211 Ca -0.04 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.42 3brw n PHE 211 Cb 0.15 -0.33 -0.01 0.00 -0.94 0.00 0.00 39.48 38.35 3brw n PHE 211 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3brw n SER 212 N -1.33 1.30 -4.63 4.37 7.64 -1.07 -4.92 113.62 114.98 3brw n SER 212 Ca 0.03 -1.15 -0.45 0.00 1.01 0.00 0.00 58.87 58.31 3brw n SER 212 Cb 0.06 0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 3brw n SER 212 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3brw n THR 213 N -0.33 0.54 -4.18 0.44 -1.04 -0.78 -4.98 114.28 103.94 3brw n THR 213 Ca 0.05 -0.23 -0.26 0.00 -2.04 0.00 0.00 64.05 61.57 3brw n THR 213 Cb 0.26 -2.17 -0.07 0.00 -1.82 0.00 0.00 70.33 66.53 3brw n THR 213 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3brw s ASN 214 N 5.67 4.92 0.22 8.00 0.02 -1.26 -4.62 114.94 127.90 3brw s ASN 214 Ca 0.96 -0.34 0.00 0.00 -1.02 0.00 0.00 52.86 52.46 3brw s ASN 214 Cb -0.54 -1.10 0.00 0.00 0.02 0.00 0.00 41.25 39.63 3brw s ASN 214 CO 0.44 0.09 0.00 1.21 0.02 0.00 0.00 177.10 178.86 3brw n GLU 215 N -0.16 -4.40 -2.96 -0.60 2.13 -1.26 -5.00 120.64 108.39 3brw n GLU 215 Ca -0.09 3.20 -0.33 0.00 0.66 0.00 0.00 57.16 60.59 3brw n GLU 215 Cb 0.55 -3.41 -0.07 0.00 0.27 0.00 0.00 31.44 28.79 3brw n GLU 215 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3brw s GLU 216 N -1.64 4.16 0.69 5.31 8.01 -1.26 -5.07 118.70 128.91 3brw s GLU 216 Ca 0.00 0.94 -0.16 0.00 0.01 0.00 0.00 54.97 55.76 3brw s GLU 216 Cb 0.00 -2.35 0.02 0.00 -4.31 0.00 0.00 34.13 27.48 3brw s GLU 216 CO 0.00 0.08 1.22 0.45 0.01 0.00 0.00 175.26 177.02 3brw s SER 217 N -2.15 4.45 0.26 -0.19 0.15 -1.26 -4.91 113.70 110.05 3brw s SER 217 Ca 0.57 2.39 -0.02 0.00 0.70 0.00 0.00 55.95 59.59 3brw s SER 217 Cb -0.10 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.07 3brw s SER 217 CO 0.16 -2.09 1.82 1.55 1.20 0.00 0.00 173.24 175.88 3brw h PRO 218 N 0.03 0.86 -0.26 5.44 0.13 -2.01 -2.59 132.00 133.60 3brw h PRO 218 Ca -0.49 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.44 3brw h PRO 218 Cb 1.30 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3brw h PRO 218 CO 0.51 0.57 -0.47 0.00 -0.23 0.00 0.00 178.00 178.38 3brw h ALA 219 N 1.49 0.68 -0.68 -0.56 0.00 -1.99 -3.03 119.26 115.17 3brw h ALA 219 Ca 0.44 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3brw h ALA 219 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3brw h ALA 219 CO -0.25 0.67 0.14 0.35 0.00 0.00 0.00 179.25 180.16 3brw h PHE 220 N 0.55 1.14 -0.11 0.00 3.57 -1.89 -0.68 116.94 119.52 3brw h PHE 220 Ca 0.03 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 3brw h PHE 220 Cb 1.02 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3brw h PHE 220 CO 0.05 0.94 0.05 0.28 -2.23 0.00 0.00 178.31 177.40 3brw h VAL 221 N 1.03 1.13 -0.82 1.41 2.07 -1.47 -1.16 116.25 118.44 3brw h VAL 221 Ca 0.21 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3brw h VAL 221 Cb 0.39 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3brw h VAL 221 CO 0.01 0.11 0.54 -0.08 0.02 0.00 0.00 177.57 178.17 3brw h GLU 222 N 0.05 0.94 -0.40 1.57 4.81 -1.40 -2.88 114.58 117.27 3brw h GLU 222 Ca 0.04 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 3brw h GLU 222 Cb 0.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3brw h GLU 222 CO -0.00 0.62 -0.30 0.35 -0.73 0.00 0.00 179.01 178.95 3brw h PHE 223 N 0.97 1.08 -0.34 0.92 3.57 -0.78 -3.12 116.94 119.24 3brw h PHE 223 Ca 0.34 -0.30 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 3brw h PHE 223 Cb 0.12 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3brw h PHE 223 CO -0.00 1.11 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.83 3brw h LEU 224 N 0.74 0.75 -0.42 0.59 4.07 -1.00 -1.21 115.31 118.83 3brw h LEU 224 Ca 0.08 -0.30 -0.14 0.00 0.08 0.00 0.00 57.88 57.60 3brw h LEU 224 Cb 0.89 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 3brw h LEU 224 CO 0.08 1.00 -0.65 1.05 -1.08 0.00 0.00 178.44 178.83 3brw h GLU 225 N 0.62 0.00 -0.11 1.13 4.11 -1.63 -2.84 114.58 115.86 3brw h GLU 225 Ca 0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.33 3brw h GLU 225 Cb 0.81 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.07 3brw h GLU 225 CO 0.07 0.65 -0.60 0.35 0.07 0.00 0.00 179.01 179.55 3brw h PHE 226 N 0.00 0.82 -0.60 2.06 3.57 -1.46 -3.33 116.94 118.00 3brw h PHE 226 Ca -0.01 -0.37 -0.07 0.00 3.53 0.00 0.00 57.97 61.05 3brw h PHE 226 Cb 1.31 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3brw h PHE 226 CO 0.00 1.17 0.09 1.25 -2.23 0.00 0.00 178.31 178.58 3brw h LEU 227 N 0.25 0.97 -8.03 0.59 6.46 -1.24 -3.47 115.31 110.83 3brw h LEU 227 Ca -0.04 -0.27 0.04 0.00 -0.12 0.00 0.00 57.88 57.49 3brw h LEU 227 Cb 1.24 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.87 3brw h LEU 227 CO 0.12 0.99 0.20 -0.83 -0.62 0.00 0.00 178.44 178.30 3brw s GLY 228 N -3.43 0.08 0.14 3.75 0.00 -1.07 -4.95 107.32 101.84 3brw s GLY 228 Ca -0.12 -0.46 -0.26 0.00 0.00 0.00 0.00 44.72 43.88 3brw s GLY 228 CO 0.83 -0.19 0.79 -0.86 0.00 0.00 0.00 173.10 173.67 3brw s GLN 229 N -3.63 4.57 0.42 2.90 -2.07 -1.09 -4.21 119.66 116.55 3brw s GLN 229 Ca 0.13 1.17 -0.24 0.00 -1.82 0.00 0.00 55.36 54.59 3brw s GLN 229 Cb -0.05 -3.29 -0.08 0.00 -1.09 0.00 0.00 33.01 28.50 3brw s GLN 229 CO 0.08 0.49 1.17 0.15 -1.32 0.00 0.00 175.29 175.86 3brw s LYS 230 N -0.86 3.95 -0.09 9.60 1.02 -1.26 -2.65 119.74 129.45 3brw s LYS 230 Ca 0.37 1.83 -0.05 0.00 0.02 0.00 0.00 55.97 58.13 3brw s LYS 230 Cb -0.23 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3brw s LYS 230 CO 0.26 -0.41 0.22 0.14 -0.92 0.00 0.00 175.35 174.64 3brw s VAL 231 N -1.46 -0.03 0.07 3.17 -7.23 -1.03 -4.96 120.40 108.94 3brw s VAL 231 Ca 0.59 0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 60.56 3brw s VAL 231 Cb -0.30 -0.33 -0.07 0.00 0.56 0.00 0.00 36.38 36.24 3brw s VAL 231 CO 0.37 0.04 1.47 -0.54 -0.31 0.00 0.00 175.10 176.14 3brw s LYS 232 N 0.88 4.27 0.35 4.82 -0.14 -1.26 -2.49 119.74 126.17 3brw s LYS 232 Ca -0.06 2.13 0.19 0.00 -1.36 0.00 0.00 55.97 56.86 3brw s LYS 232 Cb -0.08 -3.42 0.34 0.00 -1.68 0.00 0.00 37.83 32.99 3brw s LYS 232 CO -0.05 -0.57 1.58 -0.07 -0.76 0.00 0.00 175.35 175.48 3brw h LEU 233 N 7.71 0.00 -2.80 3.17 3.38 -1.89 -3.38 115.31 121.50 3brw h LEU 233 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3brw h LEU 233 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3brw h LEU 233 CO 0.90 0.34 0.00 1.56 0.09 0.00 0.00 178.44 181.32 3brw h GLN 234 N 0.00 0.00 -0.85 1.13 1.08 -1.81 -3.11 115.11 111.55 3brw h GLN 234 Ca -0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.85 3brw h GLN 234 Cb 1.15 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.32 3brw h GLN 234 CO 0.04 0.00 -0.76 -0.25 -0.95 0.00 0.00 178.83 176.91 3brw n ASP 235 N -3.01 -1.05 -4.73 1.46 8.00 -1.26 -4.44 116.55 111.52 3brw n ASP 235 Ca -0.03 -3.39 -0.39 0.00 0.71 0.00 0.00 54.79 51.70 3brw n ASP 235 Cb 0.08 0.85 -0.05 0.00 -0.02 0.00 0.00 41.12 41.98 3brw n ASP 235 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3brw s PHE 236 N -0.81 3.56 -0.13 1.24 5.36 -1.18 -4.99 117.98 121.03 3brw s PHE 236 Ca 0.30 1.06 0.18 0.00 -0.96 0.00 0.00 56.93 57.51 3brw s PHE 236 Cb 0.31 -2.65 -0.17 0.00 -0.34 0.00 0.00 43.02 40.17 3brw s PHE 236 CO -0.07 0.17 0.67 1.63 -1.46 0.00 0.00 175.22 176.16 3brw n LYS 237 N 3.56 0.64 0.00 10.12 5.02 -1.26 -4.98 118.16 131.26 3brw n LYS 237 Ca -0.05 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3brw n LYS 237 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3brw n LYS 237 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3brw n GLY 238 N 1.41 -0.13 3.69 0.72 0.00 -1.26 -4.99 105.19 104.64 3brw n GLY 238 Ca -0.12 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3brw n GLY 238 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3brw s PHE 239 N 0.31 2.84 -0.18 1.61 5.36 -1.26 -4.94 117.98 121.73 3brw s PHE 239 Ca 0.00 0.73 -0.13 0.00 -0.96 0.00 0.00 56.93 56.57 3brw s PHE 239 Cb 0.00 -3.74 -0.22 0.00 -0.34 0.00 0.00 43.02 38.73 3brw s PHE 239 CO 0.00 -2.77 0.20 0.54 -1.46 0.00 0.00 175.22 171.74 3brw n ARG 240 N 5.10 0.66 -2.50 10.12 1.74 -1.26 -4.84 116.66 125.69 3brw n ARG 240 Ca 0.13 0.38 -0.05 0.00 -0.77 0.00 0.00 57.85 57.55 3brw n ARG 240 Cb 0.43 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 30.19 3brw n ARG 240 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3brw n GLY 241 N 1.72 0.35 2.56 -0.13 0.00 -1.26 -3.74 105.19 104.70 3brw n GLY 241 Ca -0.35 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3brw n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3brw n GLY 242 N -0.98 2.26 3.78 -0.02 0.00 -1.26 -5.03 105.19 103.95 3brw n GLY 242 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3brw n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3brw s LEU 243 N 0.00 1.95 -0.25 0.99 1.43 -1.24 -5.04 118.68 116.52 3brw s LEU 243 Ca 0.00 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 3brw s LEU 243 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 3brw s LEU 243 CO 0.00 -2.76 0.09 -0.62 0.23 0.00 0.00 176.35 173.28 3brw s ASP 244 N -4.14 5.32 -0.13 2.29 -1.08 -1.26 -4.97 116.67 112.69 3brw s ASP 244 Ca 0.66 -0.15 -0.10 0.00 -0.52 0.00 0.00 52.55 52.45 3brw s ASP 244 Cb -0.13 -1.96 -0.03 0.00 -1.46 0.00 0.00 42.92 39.35 3brw s ASP 244 CO 0.53 -0.01 -0.19 0.55 0.52 0.00 0.00 175.17 176.57 3brw n VAL 245 N 4.79 1.30 0.11 1.11 3.14 -1.26 -4.25 118.33 123.26 3brw n VAL 245 Ca -0.16 0.23 -0.10 0.00 -2.96 0.00 0.00 64.34 61.35 3brw n VAL 245 Cb 0.52 -2.31 -0.07 0.00 -1.06 0.00 0.00 33.84 30.92 3brw n VAL 245 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 3brw h THR 246 N -0.91 0.59 0.00 1.55 1.35 -1.83 -3.33 112.91 110.33 3brw h THR 246 Ca 0.00 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 64.93 3brw h THR 246 Cb 0.54 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3brw h THR 246 CO 0.00 0.14 -0.25 0.45 -0.25 0.00 0.00 175.52 175.62 3brw h HIS 247 N -0.93 0.00 -3.41 4.73 3.86 -1.91 -3.48 115.15 114.01 3brw h HIS 247 Ca -0.03 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.89 3brw h HIS 247 Cb 0.49 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.02 3brw h HIS 247 CO 0.05 0.12 -0.43 0.41 0.86 0.00 0.00 177.93 178.94 3brw n GLY 248 N 1.14 -0.14 0.19 2.45 0.00 -1.25 -4.94 105.19 102.65 3brw n GLY 248 Ca 0.03 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3brw n GLY 248 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3brw h GLN 249 N -1.10 0.00 -3.31 1.61 1.08 -1.93 -3.41 115.11 108.05 3brw h GLN 249 Ca -0.37 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.19 3brw h GLN 249 Cb 1.25 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.27 3brw h GLN 249 CO 0.39 0.35 -0.64 0.95 -0.95 0.00 0.00 178.83 178.94 3brw s THR 250 N -3.64 2.50 0.00 -0.54 -4.23 -1.26 -4.82 115.64 103.65 3brw s THR 250 Ca 0.00 -3.34 0.00 0.00 -1.18 0.00 0.00 61.69 57.17 3brw s THR 250 Cb 0.11 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3brw s THR 250 CO 0.68 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3brw n GLY 251 N 3.04 -2.49 0.13 3.99 0.00 -1.26 -4.32 105.19 104.28 3brw n GLY 251 Ca 0.07 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3brw n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brw h THR 252 N 0.00 0.75 -2.36 2.61 1.03 -1.89 -3.47 112.91 109.57 3brw h THR 252 Ca 0.00 -1.17 -0.54 0.00 -0.01 0.00 0.00 66.41 64.68 3brw h THR 252 Cb 0.00 1.29 -0.13 0.00 -1.07 0.00 0.00 68.15 68.23 3brw h THR 252 CO 0.00 0.21 -0.56 -1.83 -0.01 0.00 0.00 175.52 173.33 3brw s GLU 253 N -3.07 1.85 0.23 0.00 -1.05 -1.26 -3.64 118.70 111.76 3brw s GLU 253 Ca -0.11 -2.09 -0.02 0.00 -0.15 0.00 0.00 54.97 52.59 3brw s GLU 253 Cb 0.00 -0.90 0.01 0.00 -0.44 0.00 0.00 34.13 32.80 3brw s GLU 253 CO 0.41 -0.31 0.35 0.45 0.95 0.00 0.00 175.26 177.11 3brw n SER 254 N -1.02 -0.97 -4.16 0.83 2.88 -1.04 -4.73 113.62 105.41 3brw n SER 254 Ca -0.06 -2.21 -0.29 0.00 -1.33 0.00 0.00 58.87 54.99 3brw n SER 254 Cb 0.66 1.77 -0.17 0.00 -0.75 0.00 0.00 64.21 65.73 3brw n SER 254 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3brw s VAL 255 N -2.65 1.67 -0.03 2.46 1.01 -1.26 -2.45 120.40 119.15 3brw s VAL 255 Ca 0.18 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 3brw s VAL 255 Cb -0.01 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3brw s VAL 255 CO 0.13 0.47 0.37 -0.47 0.00 0.00 0.00 175.10 175.60 3brw s TYR 256 N 0.22 -0.27 0.10 5.22 6.14 -1.09 -1.39 117.35 126.28 3brw s TYR 256 Ca -0.10 0.46 -0.18 0.00 0.64 0.00 0.00 57.07 57.89 3brw s TYR 256 Cb -0.15 0.15 0.04 0.00 0.42 0.00 0.00 41.96 42.42 3brw s TYR 256 CO 0.05 -0.41 0.43 0.00 0.64 0.00 0.00 175.55 176.26 3brw s ASN 258 N -2.54 6.08 0.00 0.00 2.47 -1.26 -1.19 114.94 118.49 3brw s ASN 258 Ca 0.00 -1.09 0.00 0.00 0.42 0.00 0.00 52.86 52.19 3brw s ASN 258 Cb 0.01 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 3brw s ASN 258 CO -0.09 -0.52 0.00 0.33 -3.72 0.00 0.00 177.10 173.10 3brw n PHE 259 N 5.16 0.00 0.00 0.43 7.35 -0.28 -4.97 117.46 125.15 3brw n PHE 259 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 3brw n PHE 259 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 3brw n PHE 259 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3brw n ARG 260 N -0.50 0.00 -0.44 -4.13 5.12 -1.26 -4.80 116.66 110.65 3brw n ARG 260 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 3brw n ARG 260 Cb 0.00 0.00 0.14 0.00 -1.16 0.00 0.00 32.46 31.44 3brw n ARG 260 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3brw n ASN 261 N 0.00 3.14 -4.76 0.55 3.02 -1.26 -4.87 115.26 111.08 3brw n ASN 261 Ca 0.00 -2.51 -0.33 0.00 -0.03 0.00 0.00 54.58 51.71 3brw n ASN 261 Cb 0.00 -0.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.49 3brw n ASN 261 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3brw s LYS 262 N -1.62 3.03 -0.23 3.52 3.01 -1.26 -4.94 119.74 121.25 3brw s LYS 262 Ca 0.24 -0.48 -0.06 0.00 -1.01 0.00 0.00 55.97 54.65 3brw s LYS 262 Cb 0.19 -2.84 -0.02 0.00 -1.01 0.00 0.00 37.83 34.15 3brw s LYS 262 CO 0.06 0.65 0.04 -1.21 0.51 0.00 0.00 175.35 175.40 3brw s GLU 263 N -1.61 3.61 -0.18 1.68 2.02 -0.18 -1.12 118.70 122.91 3brw s GLU 263 Ca 0.21 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 3brw s GLU 263 Cb -0.12 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 3brw s GLU 263 CO 0.12 -0.14 -0.09 0.42 0.02 0.00 0.00 175.26 175.59 3brw s ILE 264 N 1.44 3.16 -0.17 -1.63 1.01 -0.34 -0.48 121.20 124.20 3brw s ILE 264 Ca 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 3brw s ILE 264 Cb -0.15 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 3brw s ILE 264 CO 0.02 0.47 -0.13 -0.32 0.00 0.00 0.00 174.94 174.99 3brw s MET 265 N 1.04 3.27 0.11 2.79 -2.45 0.63 -1.75 119.30 122.95 3brw s MET 265 Ca -0.00 -0.71 -0.09 0.00 -1.25 0.00 0.00 55.69 53.64 3brw s MET 265 Cb -0.15 -2.71 -0.06 0.00 1.25 0.00 0.00 34.83 33.16 3brw s MET 265 CO -0.01 -0.01 0.42 -0.06 1.05 0.00 0.00 175.02 176.41 3brw s PHE 266 N 0.90 3.54 -0.69 4.11 0.08 -0.48 -1.57 117.98 123.87 3brw s PHE 266 Ca -0.03 0.76 -0.07 0.00 0.12 0.00 0.00 56.93 57.71 3brw s PHE 266 Cb -0.15 -2.14 0.18 0.00 -0.57 0.00 0.00 43.02 40.34 3brw s PHE 266 CO -0.01 0.47 0.55 -1.01 -0.10 0.00 0.00 175.22 175.12 3brw s HIS 267 N -1.50 3.52 -0.07 0.36 3.76 0.66 -4.42 115.29 117.60 3brw s HIS 267 Ca 0.37 -2.46 -0.29 0.00 -0.15 0.00 0.00 55.06 52.52 3brw s HIS 267 Cb -0.13 -3.41 -0.02 0.00 1.11 0.00 0.00 32.58 30.13 3brw s HIS 267 CO 0.20 -0.89 0.97 0.08 -0.85 0.00 0.00 174.74 174.25 3brw s VAL 268 N 0.03 4.84 0.14 -0.90 1.01 -1.26 -1.32 120.40 122.92 3brw s VAL 268 Ca 0.17 1.99 -0.18 0.00 0.00 0.00 0.00 61.98 63.96 3brw s VAL 268 Cb -0.17 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3brw s VAL 268 CO -0.05 0.08 1.79 0.77 0.00 0.00 0.00 175.10 177.69 3brw h SER 269 N 6.98 0.32 -0.06 3.32 4.64 -1.83 -2.10 113.55 124.81 3brw h SER 269 Ca -0.35 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 3brw h SER 269 Cb 1.18 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3brw h SER 269 CO 0.81 0.23 -0.07 0.71 -0.87 0.00 0.00 176.83 177.64 3brw h THR 270 N 0.38 1.17 0.00 2.95 1.35 -1.86 -2.26 112.91 114.63 3brw h THR 270 Ca 0.11 -0.69 -0.03 0.00 -0.55 0.00 0.00 66.41 65.24 3brw h THR 270 Cb -0.03 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 3brw h THR 270 CO -0.03 0.22 -0.30 0.11 -0.25 0.00 0.00 175.52 175.28 3brw h LYS 271 N 0.29 0.00 -7.13 4.72 1.79 -1.83 -3.46 116.57 110.95 3brw h LYS 271 Ca 0.06 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.07 3brw h LYS 271 Cb 0.31 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.98 3brw h LYS 271 CO 0.01 0.13 0.37 -0.51 -1.08 0.00 0.00 179.45 178.37 3brw s LEU 272 N -6.15 3.74 0.48 2.94 1.43 -0.81 -3.61 118.68 116.71 3brw s LEU 272 Ca 0.05 1.76 -0.23 0.00 -1.03 0.00 0.00 54.13 54.67 3brw s LEU 272 Cb 0.06 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.68 3brw s LEU 272 CO 0.71 -0.71 1.28 -2.16 0.23 0.00 0.00 176.35 175.70 3brw s PRO 273 N -3.61 3.54 -0.15 1.29 0.04 -1.26 -4.86 135.00 129.99 3brw s PRO 273 Ca 0.63 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.67 3brw s PRO 273 Cb -0.13 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 3brw s PRO 273 CO 0.25 -0.82 0.05 -0.47 0.04 0.00 0.00 177.00 176.05 3brw s TYR 274 N -1.38 3.24 -0.10 0.56 5.04 -1.26 -4.14 117.35 119.31 3brw s TYR 274 Ca 0.65 0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 55.35 3brw s TYR 274 Cb -0.36 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 3brw s TYR 274 CO 0.44 0.27 0.07 0.99 -1.34 0.00 0.00 175.55 175.97 3brw s THR 275 N -0.07 4.86 -0.30 4.34 2.01 -1.26 -5.09 115.64 120.13 3brw s THR 275 Ca 0.06 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 3brw s THR 275 Cb -0.12 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 3brw s THR 275 CO 0.01 0.61 0.70 -1.61 -0.69 0.00 0.00 174.62 173.64 3brw s GLU 276 N -0.90 3.94 0.00 4.92 0.41 -1.26 -3.93 118.70 121.88 3brw s GLU 276 Ca 0.14 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 3brw s GLU 276 Cb -0.12 -3.72 0.00 0.00 -1.78 0.00 0.00 34.13 28.51 3brw s GLU 276 CO 0.03 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 174.60 3brw n GLY 277 N 4.31 1.78 3.70 -1.39 0.00 -1.26 -5.04 105.19 107.29 3brw n GLY 277 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3brw n GLY 277 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3brw s ASP 278 N -2.10 6.63 -0.09 1.61 -1.08 -1.25 -4.96 116.67 115.43 3brw s ASP 278 Ca 0.00 2.50 -0.18 0.00 -0.52 0.00 0.00 52.55 54.35 3brw s ASP 278 Cb 0.00 -2.58 -0.14 0.00 -1.46 0.00 0.00 42.92 38.74 3brw s ASP 278 CO 0.00 -0.84 0.62 0.00 0.52 0.00 0.00 175.17 175.47 3brw h ALA 279 N 7.66 -0.12 0.00 3.66 0.00 -1.96 -3.33 119.26 125.17 3brw h ALA 279 Ca -0.42 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3brw h ALA 279 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3brw h ALA 279 CO 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 180.01 3brw n GLN 280 N -4.81 0.09 -3.62 0.00 0.00 -1.26 -4.64 117.38 103.15 3brw n GLN 280 Ca -0.06 0.16 -0.26 0.00 0.00 0.00 0.00 57.00 56.83 3brw n GLN 280 Cb 0.25 -1.63 0.04 0.00 0.00 0.00 0.00 30.24 28.91 3brw n GLN 280 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3brw n GLN 281 N -1.79 -2.14 -0.12 2.61 1.13 -1.25 -4.62 117.38 111.19 3brw n GLN 281 Ca 0.05 0.56 0.12 0.00 -1.94 0.00 0.00 57.00 55.80 3brw n GLN 281 Cb 0.32 -4.65 0.48 0.00 0.11 0.00 0.00 30.24 26.50 3brw n GLN 281 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3brw h LEU 282 N -1.73 0.41 -1.66 1.08 6.46 -1.92 -0.65 115.31 117.30 3brw h LEU 282 Ca -0.64 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.09 3brw h LEU 282 Cb 1.35 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 3brw h LEU 282 CO 0.49 0.24 -0.19 1.56 -0.62 0.00 0.00 178.44 179.92 3brw h GLN 283 N 0.45 0.00 0.05 1.25 1.08 -1.90 -0.29 115.11 115.74 3brw h GLN 283 Ca 0.31 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.18 3brw h GLN 283 Cb 0.61 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.00 3brw h GLN 283 CO -0.09 0.19 -1.88 0.54 -0.95 0.00 0.00 178.83 176.64 3brw n ARG 284 N -4.10 0.68 0.00 1.46 1.74 -0.49 -4.39 116.66 111.57 3brw n ARG 284 Ca -0.02 0.26 0.14 0.00 -0.77 0.00 0.00 57.85 57.46 3brw n ARG 284 Cb 0.27 -1.74 0.60 0.00 -1.02 0.00 0.00 32.46 30.57 3brw n ARG 284 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3brw n LYS 285 N -3.20 0.49 0.09 5.56 0.00 -0.37 -3.20 118.16 117.52 3brw n LYS 285 Ca -0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 58.31 57.86 3brw n LYS 285 Cb 1.05 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 34.61 3brw n LYS 285 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3brw h ARG 286 N 0.34 0.13 0.00 1.64 2.43 -1.26 -2.52 114.38 115.14 3brw h ARG 286 Ca 0.00 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3brw h ARG 286 Cb 0.38 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3brw h ARG 286 CO 0.00 0.88 -0.64 0.45 -1.51 0.00 0.00 179.97 179.15 3brw h HIS 287 N 0.08 0.00 0.00 2.20 3.86 -1.81 -3.28 115.15 116.20 3brw h HIS 287 Ca -0.03 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3brw h HIS 287 Cb 1.43 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.89 3brw h HIS 287 CO 0.02 0.44 -0.15 0.82 0.86 0.00 0.00 177.93 179.92 3brw h ILE 288 N -1.00 0.81 0.00 2.45 2.04 -1.72 -1.99 117.51 118.10 3brw h ILE 288 Ca -0.09 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 3brw h ILE 288 Cb 0.69 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3brw h ILE 288 CO -0.06 0.14 -0.45 1.23 0.00 0.00 0.00 178.15 179.02 3brw h GLY 289 N 0.68 0.00 -1.05 5.37 0.00 -1.63 -3.04 103.07 103.40 3brw h GLY 289 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3brw h GLY 289 CO 0.02 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.26 3brw n ASN 290 N -3.53 2.08 -4.81 0.19 4.13 -0.78 -4.17 115.26 108.37 3brw n ASN 290 Ca -0.00 -1.70 -0.33 0.00 1.68 0.00 0.00 54.58 54.22 3brw n ASN 290 Cb 0.57 -0.03 -0.05 0.00 -1.54 0.00 0.00 39.78 38.73 3brw n ASN 290 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3brw s ASP 291 N -1.92 6.68 -0.11 6.41 1.11 -1.05 -4.91 116.67 122.87 3brw s ASP 291 Ca 0.34 1.77 -0.07 0.00 0.18 0.00 0.00 52.55 54.77 3brw s ASP 291 Cb 0.20 -2.54 -0.26 0.00 1.07 0.00 0.00 42.92 41.39 3brw s ASP 291 CO 0.32 -0.54 0.39 -0.38 1.18 0.00 0.00 175.17 176.13 3brw n ILE 292 N -0.86 1.79 -4.23 0.77 -0.00 -1.26 -2.14 119.36 113.43 3brw n ILE 292 Ca 0.08 -0.66 -0.18 0.00 -0.00 0.00 0.00 62.75 61.99 3brw n ILE 292 Cb 0.53 -1.73 -0.11 0.00 -0.00 0.00 0.00 39.64 38.33 3brw n ILE 292 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3brw s VAL 293 N -2.56 1.27 0.01 1.39 1.01 -1.26 -0.74 120.40 119.52 3brw s VAL 293 Ca -0.22 -1.65 -0.18 0.00 0.00 0.00 0.00 61.98 59.93 3brw s VAL 293 Cb 0.07 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 35.03 3brw s VAL 293 CO 0.78 -0.39 0.40 0.00 0.00 0.00 0.00 175.10 175.88 3brw s ALA 294 N -2.02 -1.00 0.27 5.51 0.00 -1.01 -2.49 121.76 121.01 3brw s ALA 294 Ca 0.07 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3brw s ALA 294 Cb -0.06 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.18 3brw s ALA 294 CO 0.03 -0.37 0.63 0.08 0.00 0.00 0.00 175.76 176.12 3brw s VAL 295 N -1.88 4.83 -0.17 0.00 1.01 0.24 -1.70 120.40 122.73 3brw s VAL 295 Ca -0.09 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3brw s VAL 295 Cb -0.02 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3brw s VAL 295 CO 0.02 -0.11 -0.03 -0.69 0.00 0.00 0.00 175.10 174.28 3brw s VAL 296 N -1.88 0.99 -0.27 2.92 1.01 0.08 -2.15 120.40 121.10 3brw s VAL 296 Ca 0.50 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3brw s VAL 296 Cb -0.11 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3brw s VAL 296 CO 0.20 0.06 0.17 0.12 0.00 0.00 0.00 175.10 175.65 3brw s PHE 297 N 1.68 3.20 0.42 5.22 5.36 -0.51 -0.13 117.98 133.22 3brw s PHE 297 Ca 0.00 0.04 0.07 0.00 -0.96 0.00 0.00 56.93 56.09 3brw s PHE 297 Cb -0.16 -2.36 -0.03 0.00 -0.34 0.00 0.00 43.02 40.13 3brw s PHE 297 CO -0.07 -0.18 0.27 -0.65 -1.46 0.00 0.00 175.22 173.13 3brw s GLN 298 N 1.72 2.35 -0.07 10.12 -0.21 0.10 -1.68 119.66 132.00 3brw s GLN 298 Ca 0.07 -1.73 -0.03 0.00 0.02 0.00 0.00 55.36 53.69 3brw s GLN 298 Cb -0.16 -2.15 -0.03 0.00 1.00 0.00 0.00 33.01 31.67 3brw s GLN 298 CO 0.10 -0.18 -0.08 -0.25 -2.12 0.00 0.00 175.29 172.76 3brw n ASP 299 N -1.40 0.68 -3.97 5.90 8.00 -1.26 -3.20 116.55 121.31 3brw n ASP 299 Ca 0.01 0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.42 3brw n ASP 299 Cb 0.63 -0.19 0.07 0.00 -0.02 0.00 0.00 41.12 41.62 3brw n ASP 299 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3brw n GLU 300 N -3.25 0.37 -1.73 -1.24 4.71 -1.26 -4.34 120.64 113.89 3brw n GLU 300 Ca -0.13 -2.10 -0.33 0.00 -0.01 0.00 0.00 57.16 54.60 3brw n GLU 300 Cb 0.59 -0.35 -0.03 0.00 -1.01 0.00 0.00 31.44 30.65 3brw n GLU 300 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3brw n ASN 301 N -2.75 7.07 -4.66 1.62 2.85 -1.26 -4.93 115.26 113.21 3brw n ASN 301 Ca 0.12 -3.25 -0.43 0.00 -0.11 0.00 0.00 54.58 50.91 3brw n ASN 301 Cb 0.43 -1.26 -0.02 0.00 1.24 0.00 0.00 39.78 40.17 3brw n ASN 301 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3brw s THR 302 N -2.19 4.50 0.78 -0.44 2.01 -1.26 -5.00 115.64 114.04 3brw s THR 302 Ca 0.56 1.80 -0.15 0.00 0.31 0.00 0.00 61.69 64.21 3brw s THR 302 Cb 0.32 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.63 3brw s THR 302 CO -0.19 -0.22 0.81 -2.65 -0.69 0.00 0.00 174.62 171.68 3brw n PRO 303 N 6.54 0.22 -3.74 4.92 -0.02 -1.26 -5.05 135.00 136.60 3brw n PRO 303 Ca 0.13 0.13 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 3brw n PRO 303 Cb 0.46 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 3brw n PRO 303 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3brw s PHE 304 N -2.03 -0.42 0.18 6.00 2.19 -1.26 -4.98 117.98 117.67 3brw s PHE 304 Ca 0.68 1.01 0.03 0.00 0.33 0.00 0.00 56.93 58.98 3brw s PHE 304 Cb -0.31 0.15 -0.05 0.00 -1.31 0.00 0.00 43.02 41.50 3brw s PHE 304 CO 0.56 -0.21 -0.01 0.14 1.83 0.00 0.00 175.22 177.52 3brw s VAL 305 N 0.33 0.82 -2.00 3.12 -7.23 -1.26 -5.03 120.40 109.15 3brw s VAL 305 Ca -0.01 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.22 3brw s VAL 305 Cb -0.03 -2.14 0.17 0.00 0.56 0.00 0.00 36.38 34.94 3brw s VAL 305 CO -0.01 -0.48 0.89 -2.65 -0.31 0.00 0.00 175.10 172.54 3brw n PRO 306 N -0.28 0.60 -0.01 4.82 -0.02 -1.26 -3.05 135.00 135.79 3brw n PRO 306 Ca -0.07 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.50 3brw n PRO 306 Cb 0.63 -1.15 -0.15 0.00 -0.02 0.00 0.00 33.50 32.80 3brw n PRO 306 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3brw n ASP 307 N -0.65 0.50 -0.15 2.55 8.00 -1.26 -4.24 116.55 121.29 3brw n ASP 307 Ca 0.04 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.72 3brw n ASP 307 Cb 0.02 1.85 0.55 0.00 -0.02 0.00 0.00 41.12 43.52 3brw n ASP 307 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3brw h MET 308 N 0.00 0.32 -6.18 -1.24 2.86 -1.83 -3.40 114.93 105.45 3brw h MET 308 Ca -0.03 -0.02 -0.69 0.00 -2.06 0.00 0.00 59.70 56.91 3brw h MET 308 Cb 0.96 -0.07 -0.28 0.00 0.06 0.00 0.00 31.60 32.27 3brw h MET 308 CO 0.00 0.21 -0.84 0.42 1.06 0.00 0.00 176.91 177.76 3brw s ILE 309 N -5.33 2.44 -0.35 -1.22 1.01 -1.26 -3.58 121.20 112.91 3brw s ILE 309 Ca -0.07 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 3brw s ILE 309 Cb 0.21 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3brw s ILE 309 CO 0.76 0.57 0.18 0.00 0.00 0.00 0.00 174.94 176.46 3brw s ALA 310 N -0.39 3.27 -0.19 9.38 0.00 -1.26 -4.96 121.76 127.61 3brw s ALA 310 Ca 0.03 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 3brw s ALA 310 Cb -0.12 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.56 3brw s ALA 310 CO 0.02 -1.18 0.50 0.45 0.00 0.00 0.00 175.76 175.54 3brw s SER 311 N 1.58 -0.58 0.00 0.00 0.15 -1.26 -5.03 113.70 108.56 3brw s SER 311 Ca 0.03 1.04 0.27 0.00 0.70 0.00 0.00 55.95 57.99 3brw s SER 311 Cb -0.18 0.99 1.29 0.00 -1.71 0.00 0.00 66.02 66.41 3brw s SER 311 CO 0.06 -0.19 1.91 0.59 1.20 0.00 0.00 173.24 176.81 3brw n ASN 312 N 3.45 0.00 -0.04 5.45 3.02 -1.26 -4.20 115.26 121.68 3brw n ASN 312 Ca -0.17 0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 54.46 3brw n ASN 312 Cb 0.56 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.32 3brw n ASN 312 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3brw n PHE 313 N -1.37 0.00 -2.14 3.10 3.01 -1.26 -4.98 117.46 113.81 3brw n PHE 313 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 3brw n PHE 313 Cb 0.26 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 3brw n PHE 313 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3brw s LEU 314 N -5.15 4.29 0.00 4.37 1.43 -0.91 -4.15 118.68 118.56 3brw s LEU 314 Ca -0.08 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 3brw s LEU 314 Cb 0.02 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3brw s LEU 314 CO 0.20 -0.85 0.00 1.41 0.23 0.00 0.00 176.35 177.34 3brw n HIS 315 N 6.66 0.00 -3.75 0.29 8.25 0.08 -4.90 115.22 121.85 3brw n HIS 315 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.49 3brw n HIS 315 Cb 0.43 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.44 3brw n HIS 315 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3brw s ALA 316 N -0.97 -0.89 0.01 -1.41 0.00 -1.17 -3.17 121.76 114.15 3brw s ALA 316 Ca 0.00 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.87 3brw s ALA 316 Cb 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3brw s ALA 316 CO 0.00 -0.19 -0.07 0.71 0.00 0.00 0.00 175.76 176.20 3brw s TYR 317 N -0.15 0.66 -0.25 0.00 2.02 -1.07 -2.40 117.35 116.16 3brw s TYR 317 Ca -0.03 -0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.42 3brw s TYR 317 Cb -0.03 -0.41 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 3brw s TYR 317 CO 0.01 -0.02 0.01 0.08 -1.57 0.00 0.00 175.55 174.06 3brw s VAL 318 N -0.43 3.56 -0.15 0.71 1.01 -0.69 -1.31 120.40 123.10 3brw s VAL 318 Ca 0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 3brw s VAL 318 Cb -0.04 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3brw s VAL 318 CO -0.00 0.25 0.71 -0.69 0.00 0.00 0.00 175.10 175.37 3brw s VAL 319 N 1.47 4.99 -0.07 2.92 1.01 0.51 -0.74 120.40 130.49 3brw s VAL 319 Ca 0.04 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.43 3brw s VAL 319 Cb -0.16 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3brw s VAL 319 CO -0.01 0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 174.38 3brw s VAL 320 N 1.66 1.36 -0.01 2.92 1.01 0.81 -2.15 120.40 126.00 3brw s VAL 320 Ca 0.34 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3brw s VAL 320 Cb -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3brw s VAL 320 CO 0.13 0.40 -0.05 -1.58 0.00 0.00 0.00 175.10 174.01 3brw s GLN 321 N 0.60 0.45 0.66 2.72 0.74 -0.88 0.03 119.66 123.97 3brw s GLN 321 Ca -0.15 -0.15 -0.10 0.00 0.05 0.00 0.00 55.36 55.01 3brw s GLN 321 Cb -0.16 -0.46 0.01 0.00 1.10 0.00 0.00 33.01 33.50 3brw s GLN 321 CO 0.05 0.07 1.02 0.00 -0.55 0.00 0.00 175.29 175.88 3brw s ALA 322 N 0.10 3.05 0.03 1.58 0.00 -1.20 -1.35 121.76 123.97 3brw s ALA 322 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3brw s ALA 322 Cb -0.05 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3brw s ALA 322 CO -0.00 -0.98 -0.00 -2.00 0.00 0.00 0.00 175.76 172.77 3brw s GLU 323 N -5.22 0.41 -0.12 0.00 2.56 -0.39 -4.82 118.70 111.13 3brw s GLU 323 Ca 0.56 -0.72 0.14 0.00 0.00 0.00 0.00 54.97 54.95 3brw s GLU 323 Cb -0.11 0.15 0.60 0.00 2.00 0.00 0.00 34.13 36.77 3brw s GLU 323 CO 0.50 -0.08 1.46 0.41 -0.56 0.00 0.00 175.26 176.99 3brw n GLY 324 N 1.22 2.31 2.02 -1.50 0.00 -1.26 -3.98 105.19 104.00 3brw n GLY 324 Ca -0.22 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 3brw n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3brw n GLY 325 N 0.85 5.01 2.64 -0.02 0.00 -1.26 -4.85 105.19 107.56 3brw n GLY 325 Ca 0.21 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 3brw n GLY 325 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3brw s GLY 326 N -1.81 0.83 0.48 -0.02 0.00 -1.26 -4.75 107.32 100.79 3brw s GLY 326 Ca 0.56 -1.45 0.17 0.00 0.00 0.00 0.00 44.72 43.99 3brw s GLY 326 CO 0.05 1.82 2.04 -2.55 0.00 0.00 0.00 173.10 174.47 3brw h PRO 327 N 8.16 0.19 -4.17 2.90 0.11 -1.98 -3.35 132.00 133.86 3brw h PRO 327 Ca -0.15 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.33 3brw h PRO 327 Cb 1.01 -0.04 -0.39 0.00 0.11 0.00 0.00 31.00 31.68 3brw h PRO 327 CO 0.45 0.12 -0.76 0.34 -0.21 0.00 0.00 178.00 177.95 3brw s ASP 328 N -6.53 4.14 0.06 -2.05 2.15 -1.26 -5.02 116.67 108.15 3brw s ASP 328 Ca -0.06 -1.59 0.00 0.00 0.43 0.00 0.00 52.55 51.33 3brw s ASP 328 Cb 0.19 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 3brw s ASP 328 CO 0.72 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.99 3brw n GLY 329 N 4.62 -3.92 3.77 2.66 0.00 -1.25 -4.90 105.19 106.16 3brw n GLY 329 Ca -0.04 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 3brw n GLY 329 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3brw n PRO 330 N 0.19 2.51 -2.58 1.61 -0.02 -1.26 -4.37 135.00 131.09 3brw n PRO 330 Ca 0.00 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 3brw n PRO 330 Cb 0.00 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 30.80 3brw n PRO 330 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3brw s LEU 331 N -2.15 4.52 -0.26 2.45 1.43 -1.26 -4.55 118.68 118.86 3brw s LEU 331 Ca 0.56 2.04 -0.04 0.00 -1.03 0.00 0.00 54.13 55.66 3brw s LEU 331 Cb -0.47 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.15 3brw s LEU 331 CO 0.62 -0.13 0.00 -0.31 0.23 0.00 0.00 176.35 176.76 3brw s TYR 332 N -0.46 3.08 -0.16 0.29 2.02 -1.23 -1.26 117.35 119.63 3brw s TYR 332 Ca 0.47 -1.18 -0.28 0.00 -0.37 0.00 0.00 57.07 55.70 3brw s TYR 332 Cb -0.28 -2.15 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3brw s TYR 332 CO 0.34 -0.62 0.98 0.15 -1.57 0.00 0.00 175.55 174.83 3brw s LYS 333 N 1.43 4.35 -0.01 -0.62 1.02 -0.46 -2.37 119.74 123.09 3brw s LYS 333 Ca 0.02 1.30 0.07 0.00 0.02 0.00 0.00 55.97 57.39 3brw s LYS 333 Cb -0.16 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 3brw s LYS 333 CO -0.01 -0.41 -0.23 0.08 -0.92 0.00 0.00 175.35 173.86 3brw s VAL 334 N 2.40 1.81 0.05 3.17 1.01 -0.84 -2.07 120.40 125.93 3brw s VAL 334 Ca 0.45 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 3brw s VAL 334 Cb -0.17 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.76 3brw s VAL 334 CO 0.13 0.48 0.57 -0.94 0.00 0.00 0.00 175.10 175.34 3brw s SER 335 N -0.63 -0.51 0.35 3.32 1.04 -0.91 -4.88 113.70 111.47 3brw s SER 335 Ca 0.09 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.79 3brw s SER 335 Cb -0.09 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 3brw s SER 335 CO -0.01 -0.74 0.55 0.68 0.98 0.00 0.00 173.24 174.70 3brw s VAL 336 N -2.43 5.03 -0.32 5.02 -7.23 -1.26 -0.36 120.40 118.85 3brw s VAL 336 Ca -0.05 -0.50 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3brw s VAL 336 Cb -0.01 -3.83 0.12 0.00 0.56 0.00 0.00 36.38 33.22 3brw s VAL 336 CO -0.01 -0.53 0.16 -0.89 -0.31 0.00 0.00 175.10 173.52 3brw s THR 337 N -2.31 0.15 0.76 5.32 2.01 -0.42 -4.87 115.64 116.27 3brw s THR 337 Ca 0.40 -1.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 3brw s THR 337 Cb -0.10 -1.13 0.05 0.00 0.01 0.00 0.00 72.50 71.34 3brw s THR 337 CO 0.36 -0.83 1.13 0.00 -0.69 0.00 0.00 174.62 174.59 3brw s ALA 338 N 1.62 2.68 -0.12 7.40 0.00 -1.26 -2.60 121.76 129.48 3brw s ALA 338 Ca 0.13 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 3brw s ALA 338 Cb -0.19 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3brw s ALA 338 CO -0.21 -1.45 0.08 1.03 0.00 0.00 0.00 175.76 175.21 3brw s ARG 339 N -5.41 3.34 0.00 0.00 0.52 -1.19 -4.81 118.95 111.39 3brw s ARG 339 Ca 0.60 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 3brw s ARG 339 Cb -0.12 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.31 3brw s ARG 339 CO 0.51 0.69 0.05 -0.40 0.02 0.00 0.00 175.30 176.17 3brw n ASP 340 N 2.24 0.14 -0.05 0.23 5.75 -1.26 -0.10 116.55 123.51 3brw n ASP 340 Ca -0.19 -0.10 -0.04 0.00 -0.01 0.00 0.00 54.79 54.44 3brw n ASP 340 Cb 0.54 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.53 3brw n ASP 340 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3brw n ASP 341 N 0.91 2.62 -4.87 -1.12 -0.08 -1.26 -5.02 116.55 107.72 3brw n ASP 341 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 3brw n ASP 341 Cb 0.02 0.76 -0.06 0.00 2.34 0.00 0.00 41.12 44.18 3brw n ASP 341 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3brw s VAL 342 N -2.25 5.43 1.27 5.18 -7.23 0.86 -4.50 120.40 119.15 3brw s VAL 342 Ca -0.05 0.30 -0.20 0.00 -1.81 0.00 0.00 61.98 60.23 3brw s VAL 342 Cb 0.03 -3.46 0.31 0.00 0.56 0.00 0.00 36.38 33.82 3brw s VAL 342 CO 0.40 0.60 1.05 -2.84 -0.31 0.00 0.00 175.10 174.00 3brw s PRO 343 N -1.07 -1.73 0.39 4.82 0.02 -1.26 -4.82 135.00 131.35 3brw s PRO 343 Ca 0.17 0.06 -0.26 0.00 0.02 0.00 0.00 61.00 60.99 3brw s PRO 343 Cb -0.13 -1.53 -0.09 0.00 0.02 0.00 0.00 34.50 32.78 3brw s PRO 343 CO 0.06 -4.07 1.23 0.12 -0.33 0.00 0.00 177.00 174.01 3brw s PHE 344 N -2.74 3.00 0.34 6.54 2.19 -1.26 -5.02 117.98 121.03 3brw s PHE 344 Ca 0.70 1.49 -0.07 0.00 0.33 0.00 0.00 56.93 59.38 3brw s PHE 344 Cb -0.12 -3.53 0.02 0.00 -1.31 0.00 0.00 43.02 38.08 3brw s PHE 344 CO 0.57 -1.64 0.56 -0.59 1.83 0.00 0.00 175.22 175.95 3brw s PHE 345 N -1.30 0.72 0.35 10.12 -0.71 -1.26 -5.02 117.98 120.87 3brw s PHE 345 Ca 0.55 -1.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 3brw s PHE 345 Cb -0.35 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.67 3brw s PHE 345 CO 0.44 -1.24 0.00 0.41 -1.34 0.00 0.00 175.22 173.50 3brw n GLY 346 N -0.53 -2.63 3.70 1.99 0.00 -1.26 -4.75 105.19 101.71 3brw n GLY 346 Ca -0.02 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 3brw n GLY 346 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3brw n PRO 347 N -3.67 2.20 -1.72 1.61 -0.02 -1.26 -4.91 135.00 127.21 3brw n PRO 347 Ca -0.04 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 3brw n PRO 347 Cb 0.45 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3brw n PRO 347 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3brw n PRO 348 N 1.06 2.18 -2.54 0.52 -0.02 -1.26 -4.95 135.00 130.00 3brw n PRO 348 Ca 0.07 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 3brw n PRO 348 Cb 0.35 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3brw n PRO 348 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3brw s LEU 349 N -1.67 4.29 0.80 2.45 1.02 -1.26 -5.01 118.68 119.30 3brw s LEU 349 Ca 0.58 1.76 -0.15 0.00 0.02 0.00 0.00 54.13 56.34 3brw s LEU 349 Cb -0.51 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.15 3brw s LEU 349 CO 0.60 -0.50 0.70 -2.65 0.02 0.00 0.00 176.35 174.52 3brw n PRO 350 N 4.82 0.15 0.08 1.29 -0.02 -1.26 -4.89 135.00 135.18 3brw n PRO 350 Ca 0.10 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.66 3brw n PRO 350 Cb 0.47 -2.01 0.22 0.00 -0.02 0.00 0.00 33.50 32.16 3brw n PRO 350 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3brw h ASP 351 N -0.76 0.31 -0.43 2.55 -0.00 -1.96 -1.87 116.42 114.24 3brw h ASP 351 Ca -0.45 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.03 56.39 3brw h ASP 351 Cb 1.32 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 40.55 3brw h ASP 351 CO 0.42 0.66 0.04 -0.65 -0.00 0.00 0.00 179.24 179.71 3brw h PRO 352 N 0.25 0.74 -0.26 0.28 0.11 -2.03 -3.47 132.00 127.62 3brw h PRO 352 Ca 0.03 -0.22 -0.05 0.00 0.11 0.00 0.00 66.00 65.87 3brw h PRO 352 Cb 0.79 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3brw h PRO 352 CO 0.06 0.79 -0.06 0.00 -0.21 0.00 0.00 178.00 178.59 3brw n ALA 353 N -2.40 -0.06 -2.52 -0.75 0.00 -0.71 -5.03 120.51 109.04 3brw n ALA 353 Ca -0.00 0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 3brw n ALA 353 Cb 0.27 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 3brw n ALA 353 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3brw s VAL 354 N -2.11 2.64 0.17 0.00 1.01 -1.26 -1.99 120.40 118.86 3brw s VAL 354 Ca 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 61.98 59.70 3brw s VAL 354 Cb 0.00 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3brw s VAL 354 CO 0.00 -0.33 0.21 -0.36 0.00 0.00 0.00 175.10 174.62 3brw s PHE 355 N -2.49 0.66 0.97 5.22 0.08 -1.00 -4.95 117.98 116.47 3brw s PHE 355 Ca 0.31 -1.01 -0.16 0.00 0.12 0.00 0.00 56.93 56.20 3brw s PHE 355 Cb -0.03 -0.24 0.25 0.00 -0.57 0.00 0.00 43.02 42.42 3brw s PHE 355 CO 0.17 -0.68 0.71 -2.13 -0.10 0.00 0.00 175.22 173.19 3brw n ARG 356 N -0.21 -3.29 -0.00 0.44 3.00 -1.26 -3.58 116.66 111.77 3brw n ARG 356 Ca -0.04 -1.16 0.03 0.00 -0.00 0.00 0.00 57.85 56.67 3brw n ARG 356 Cb 0.64 -1.27 -0.04 0.00 0.00 0.00 0.00 32.46 31.78 3brw n ARG 356 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3brw n LYS 357 N -4.32 2.41 -0.63 -0.14 0.00 -1.26 -4.65 118.16 109.57 3brw n LYS 357 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.38 3brw n LYS 357 Cb 0.43 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.48 3brw n LYS 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3brw n GLY 358 N 1.68 0.95 0.21 3.14 0.00 -1.26 -4.95 105.19 104.96 3brw n GLY 358 Ca -0.00 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.19 3brw n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3brw h PRO 359 N 0.00 0.00 0.02 1.61 0.13 -1.98 -2.83 132.00 128.95 3brw h PRO 359 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3brw h PRO 359 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3brw h PRO 359 CO 0.00 0.00 -0.15 1.49 -0.23 0.00 0.00 178.00 179.11 3brw h GLU 360 N 0.00 -0.20 -0.72 0.86 4.57 -1.98 -2.66 114.58 114.45 3brw h GLU 360 Ca 0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 3brw h GLU 360 Cb 0.03 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3brw h GLU 360 CO 0.00 -0.13 0.18 0.35 -1.18 0.00 0.00 179.01 178.22 3brw h PHE 361 N -0.21 1.21 -0.60 0.92 3.57 -1.83 -3.11 116.94 116.89 3brw h PHE 361 Ca 0.00 -0.14 0.12 0.00 3.53 0.00 0.00 57.97 61.47 3brw h PHE 361 Cb 0.22 -0.34 -0.09 0.00 2.79 0.00 0.00 35.95 38.53 3brw h PHE 361 CO -0.37 0.98 0.12 0.37 -2.23 0.00 0.00 178.31 177.18 3brw h GLN 362 N 1.09 0.24 -0.86 1.11 4.15 -1.58 -0.65 115.11 118.61 3brw h GLN 362 Ca 0.23 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 3brw h GLN 362 Cb 0.38 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3brw h GLN 362 CO 0.00 0.16 0.48 1.49 -1.93 0.00 0.00 178.83 179.03 3brw h GLU 363 N 0.24 1.19 0.84 1.69 4.81 -1.40 -2.90 114.58 119.05 3brw h GLU 363 Ca 0.32 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3brw h GLU 363 Cb 0.48 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3brw h GLU 363 CO -0.42 0.86 -0.46 0.35 -0.73 0.00 0.00 179.01 178.62 3brw h PHE 364 N 1.19 -1.21 -0.66 0.92 3.04 -1.18 -3.07 116.94 115.97 3brw h PHE 364 Ca 0.30 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.37 3brw h PHE 364 Cb 0.01 0.42 -0.10 0.00 2.56 0.00 0.00 35.95 38.83 3brw h PHE 364 CO 0.00 -0.71 0.11 1.25 -2.02 0.00 0.00 178.31 176.94 3brw h LEU 365 N -1.20 -0.08 -0.93 0.59 5.85 -0.99 -0.42 115.31 118.12 3brw h LEU 365 Ca -0.11 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3brw h LEU 365 Cb 0.94 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3brw h LEU 365 CO 0.15 -0.05 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.01 3brw h LEU 366 N 0.22 0.63 -0.56 2.25 3.38 -1.59 -0.08 115.31 119.56 3brw h LEU 366 Ca 0.36 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3brw h LEU 366 Cb 0.58 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3brw h LEU 366 CO -0.48 0.78 0.11 0.74 0.09 0.00 0.00 178.44 179.67 3brw h THR 367 N 0.58 1.25 -0.86 0.22 2.02 -1.04 -0.83 112.91 114.24 3brw h THR 367 Ca 0.10 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 3brw h THR 367 Cb 0.56 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3brw h THR 367 CO 0.03 0.35 0.43 0.50 0.37 0.00 0.00 175.52 177.20 3brw h LYS 368 N 0.82 1.24 -0.25 6.66 1.63 -0.39 0.17 116.57 126.45 3brw h LYS 368 Ca 0.17 -0.18 -0.17 0.00 -0.85 0.00 0.00 60.65 59.63 3brw h LYS 368 Cb 0.39 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3brw h LYS 368 CO 0.01 0.94 -0.50 -0.07 -3.45 0.00 0.00 179.45 176.37 3brw h LEU 369 N 1.23 0.88 -0.13 5.20 3.38 -0.91 0.00 115.31 124.96 3brw h LEU 369 Ca 0.30 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3brw h LEU 369 Cb 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3brw h LEU 369 CO -0.04 1.26 0.01 0.40 0.09 0.00 0.00 178.44 180.16 3brw h ILE 370 N 0.54 1.24 0.00 1.22 2.04 -0.93 -1.79 117.51 119.82 3brw h ILE 370 Ca 0.01 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3brw h ILE 370 Cb 1.11 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3brw h ILE 370 CO 0.11 0.23 -0.10 0.78 0.00 0.00 0.00 178.15 179.17 3brw h ASN 371 N -0.02 0.00 -0.11 1.72 2.35 -0.71 -2.37 115.58 116.43 3brw h ASN 371 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3brw h ASN 371 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3brw h ASN 371 CO 0.01 0.10 0.03 0.00 -1.65 0.00 0.00 177.43 175.91 3brw h ALA 372 N 1.90 0.15 -0.17 -0.83 0.00 -0.61 -1.60 119.26 118.11 3brw h ALA 372 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3brw h ALA 372 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3brw h ALA 372 CO 0.01 -0.21 0.09 1.49 0.00 0.00 0.00 179.25 180.63 3brw h GLU 373 N -0.02 0.24 -0.29 0.00 4.81 -1.10 -2.07 114.58 116.15 3brw h GLU 373 Ca 0.04 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3brw h GLU 373 Cb 0.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3brw h GLU 373 CO 0.00 0.25 0.25 1.88 -0.73 0.00 0.00 179.01 180.66 3brw h TYR 374 N 0.17 0.00 -0.35 0.92 0.05 -1.40 0.93 116.97 117.29 3brw h TYR 374 Ca 0.06 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.69 3brw h TYR 374 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 3brw h TYR 374 CO -0.04 0.00 -0.36 0.00 -1.05 0.00 0.00 178.16 176.71 3brw h ALA 375 N 1.77 0.51 0.00 3.88 0.00 -0.62 -3.21 119.26 121.59 3brw h ALA 375 Ca 0.14 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3brw h ALA 375 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3brw h ALA 375 CO -0.00 0.59 -0.43 0.00 0.00 0.00 0.00 179.25 179.41 3brw h TYR 377 N 0.00 0.19 0.00 0.00 -1.99 -1.31 0.87 116.97 114.73 3brw h TYR 377 Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3brw h TYR 377 Cb 0.85 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.52 3brw h TYR 377 CO 0.00 0.05 -0.45 0.87 -0.00 0.00 0.00 178.16 178.62 3brw h LYS 378 N 0.14 0.00 -7.27 4.88 1.57 -1.60 -3.28 116.57 111.00 3brw h LYS 378 Ca 0.42 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.73 3brw h LYS 378 Cb 1.45 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.93 3brw h LYS 378 CO -0.07 0.00 0.17 0.00 -0.57 0.00 0.00 179.45 178.98 3brw s ALA 379 N -3.27 0.86 0.15 3.86 0.00 0.30 -4.69 121.76 118.96 3brw s ALA 379 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.71 3brw s ALA 379 Cb 0.08 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3brw s ALA 379 CO 0.72 -2.93 1.57 1.49 0.00 0.00 0.00 175.76 176.61 3brw h GLU 380 N -1.97 -0.35 -0.02 0.00 4.57 -1.84 -2.26 114.58 112.72 3brw h GLU 380 Ca -0.53 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3brw h GLU 380 Cb 1.30 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 3brw h GLU 380 CO 0.51 -0.24 0.01 0.87 -1.18 0.00 0.00 179.01 178.99 3brw h LYS 381 N -0.37 0.02 0.00 1.92 1.79 -1.92 -2.96 116.57 115.05 3brw h LYS 381 Ca 0.12 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.39 3brw h LYS 381 Cb 0.60 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3brw h LYS 381 CO -0.56 0.04 -0.86 0.74 -1.08 0.00 0.00 179.45 177.74 3brw h PHE 382 N -0.01 0.27 -0.30 -1.35 0.04 -1.80 -3.21 116.94 110.58 3brw h PHE 382 Ca 0.01 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.54 3brw h PHE 382 Cb 0.03 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3brw h PHE 382 CO -0.07 0.96 -0.20 0.00 -0.60 0.00 0.00 178.31 178.40 3brw h ALA 383 N 1.00 1.10 -0.13 2.45 0.00 -1.40 0.61 119.26 122.89 3brw h ALA 383 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3brw h ALA 383 Cb 1.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3brw h ALA 383 CO 0.13 0.56 0.08 -0.22 0.00 0.00 0.00 179.25 179.80 3brw h LYS 384 N 0.50 0.18 -0.39 0.00 1.63 -1.53 -1.85 116.57 115.11 3brw h LYS 384 Ca 0.08 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 3brw h LYS 384 Cb 0.62 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3brw h LYS 384 CO 0.04 0.14 0.02 1.25 -3.45 0.00 0.00 179.45 177.45 3brw h LEU 385 N 0.16 0.66 -1.51 5.20 5.85 -1.52 -3.11 115.31 121.05 3brw h LEU 385 Ca 0.05 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3brw h LEU 385 Cb 0.01 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3brw h LEU 385 CO -0.01 0.79 0.40 -0.08 -0.34 0.00 0.00 178.44 179.20 3brw h GLU 386 N 0.51 0.59 -0.68 1.25 4.22 -0.75 -2.29 114.58 117.43 3brw h GLU 386 Ca 0.11 -0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.62 3brw h GLU 386 Cb 0.44 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 3brw h GLU 386 CO 0.02 0.39 0.29 0.93 -2.18 0.00 0.00 179.01 178.46 3brw h GLU 387 N 0.61 0.48 0.08 1.92 5.08 -1.26 -0.64 114.58 120.85 3brw h GLU 387 Ca 0.26 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.33 3brw h GLU 387 Cb 0.24 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3brw h GLU 387 CO -0.08 0.32 -1.11 -0.09 -1.00 0.00 0.00 179.01 177.05 3brw h ARG 388 N 0.50 0.36 0.15 2.33 2.43 -1.54 -3.14 114.38 115.47 3brw h ARG 388 Ca 0.34 -0.49 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3brw h ARG 388 Cb 0.42 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3brw h ARG 388 CO -0.31 1.18 -0.10 1.15 -1.51 0.00 0.00 179.97 180.39 3brw h THR 389 N 0.16 0.78 -0.10 0.20 2.02 -1.11 -2.49 112.91 112.37 3brw h THR 389 Ca -0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3brw h THR 389 Cb 1.79 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 3brw h THR 389 CO 0.19 0.00 -0.08 -0.09 0.37 0.00 0.00 175.52 175.91 3brw h ARG 390 N -0.25 -0.09 -0.91 6.66 2.43 -1.19 0.43 114.38 121.47 3brw h ARG 390 Ca -0.01 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3brw h ARG 390 Cb 0.22 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3brw h ARG 390 CO 0.00 -0.06 0.55 0.00 -1.51 0.00 0.00 179.97 178.95 3brw h ALA 391 N 0.99 1.15 -0.38 2.80 0.00 -1.55 0.31 119.26 122.58 3brw h ALA 391 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3brw h ALA 391 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3brw h ALA 391 CO -0.15 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 3brw h ALA 392 N 1.30 0.52 0.00 0.00 0.00 -0.94 -1.57 119.26 118.56 3brw h ALA 392 Ca 0.33 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3brw h ALA 392 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3brw h ALA 392 CO -0.06 0.34 -0.33 -0.07 0.00 0.00 0.00 179.25 179.13 3brw h LEU 393 N 0.51 0.00 -0.07 0.00 3.38 -0.67 -1.73 115.31 116.73 3brw h LEU 393 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3brw h LEU 393 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3brw h LEU 393 CO 0.03 0.33 -0.12 0.25 0.09 0.00 0.00 178.44 179.02 3brw h LEU 394 N 0.00 0.23 -0.48 1.67 5.85 -0.73 -2.19 115.31 119.67 3brw h LEU 394 Ca -0.00 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3brw h LEU 394 Cb 0.73 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3brw h LEU 394 CO 0.04 0.73 0.18 -0.08 -0.34 0.00 0.00 178.44 178.97 3brw h GLU 395 N -0.25 0.35 -0.59 1.25 4.81 -1.15 0.52 114.58 119.51 3brw h GLU 395 Ca 0.01 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 3brw h GLU 395 Cb 0.68 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.88 3brw h GLU 395 CO 0.03 0.23 -0.46 1.15 -0.73 0.00 0.00 179.01 179.22 3brw h THR 396 N 0.36 0.06 0.49 0.32 2.02 -1.31 -1.47 112.91 113.37 3brw h THR 396 Ca 0.23 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 3brw h THR 396 Cb 0.23 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3brw h THR 396 CO -0.23 0.00 -0.24 0.25 0.37 0.00 0.00 175.52 175.68 3brw h LEU 397 N -0.23 -0.56 -0.84 2.58 5.85 -0.62 -3.03 115.31 118.45 3brw h LEU 397 Ca 0.17 -0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.06 3brw h LEU 397 Cb 0.56 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 3brw h LEU 397 CO -0.70 -0.30 0.17 0.22 -0.34 0.00 0.00 178.44 177.49 3brw h TYR 398 N -0.80 0.23 -0.01 1.25 5.03 0.22 0.89 116.97 123.78 3brw h TYR 398 Ca -0.07 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.32 3brw h TYR 398 Cb 0.57 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 3brw h TYR 398 CO -0.01 -0.22 -0.13 0.93 -1.32 0.00 0.00 178.16 177.42 3brw h GLU 399 N 0.18 -0.20 -0.69 1.82 4.39 -1.25 -2.21 114.58 116.62 3brw h GLU 399 Ca 0.51 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.18 3brw h GLU 399 Cb 0.99 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 3brw h GLU 399 CO -0.66 -0.13 0.26 0.93 -1.16 0.00 0.00 179.01 178.25 3brw h GLU 400 N -0.21 1.03 0.00 2.33 5.08 -0.73 -0.80 114.58 121.28 3brw h GLU 400 Ca 0.05 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3brw h GLU 400 Cb 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3brw h GLU 400 CO -0.13 0.85 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.34 3brw h LEU 401 N 1.00 0.00 0.14 1.33 3.38 -1.32 -2.67 115.31 117.16 3brw h LEU 401 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3brw h LEU 401 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3brw h LEU 401 CO -0.02 0.32 -0.07 -0.74 0.09 0.00 0.00 178.44 178.03 3brw h HIS 402 N 0.00 -0.17 -0.45 1.13 2.76 -0.58 -2.85 115.15 114.99 3brw h HIS 402 Ca -0.00 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 3brw h HIS 402 Cb 0.96 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 3brw h HIS 402 CO 0.00 0.21 0.00 0.82 -1.30 0.00 0.00 177.93 177.67 3brw h ILE 403 N -0.95 1.26 -0.09 6.26 1.08 -1.30 -2.02 117.51 121.75 3brw h ILE 403 Ca -0.02 -1.04 -0.16 0.00 -0.39 0.00 0.00 64.86 63.26 3brw h ILE 403 Cb 0.46 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 3brw h ILE 403 CO 0.03 0.36 -0.62 0.45 -0.69 0.00 0.00 178.15 177.68 3brw h HIS 404 N 0.65 0.44 -0.04 1.37 3.86 -1.64 -2.02 115.15 117.76 3brw h HIS 404 Ca 0.13 -0.17 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 3brw h HIS 404 Cb 0.49 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3brw h HIS 404 CO 0.04 0.87 -0.54 0.77 0.86 0.00 0.00 177.93 179.93 3brw h SER 405 N 0.25 0.11 0.07 2.45 0.02 -1.46 -3.27 113.55 111.73 3brw h SER 405 Ca -0.01 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3brw h SER 405 Cb 1.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3brw h SER 405 CO 0.10 0.63 -0.04 1.56 -1.14 0.00 0.00 176.83 177.94 3brw h GLN 406 N 0.08 -0.09 -1.03 3.45 1.08 -1.19 -3.11 115.11 114.30 3brw h GLN 406 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3brw h GLN 406 Cb 0.97 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 3brw h GLN 406 CO 0.08 0.37 0.00 -1.13 -0.95 0.00 0.00 178.83 177.19 3brw n SER 407 N -4.90 1.44 -0.20 1.46 3.41 -0.78 0.17 113.62 114.22 3brw n SER 407 Ca -0.09 -1.38 0.11 0.00 -0.26 0.00 0.00 58.87 57.26 3brw n SER 407 Cb 0.26 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 3brw n SER 407 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3brw n MET 408 N 0.43 0.52 0.00 4.33 0.00 -1.17 -4.59 117.12 116.64 3brw n MET 408 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 57.70 57.29 3brw n MET 408 Cb 0.27 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.99 3brw n MET 408 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3brw n MET 409 N -0.88 1.11 0.00 2.12 2.81 -0.67 -5.15 117.12 116.45 3brw n MET 409 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3brw n MET 409 Cb 0.38 -0.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.52 3brw n MET 409 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3brw n GLY 410 N 0.18 0.06 2.48 3.03 0.00 0.13 -5.16 105.19 105.90 3brw n GLY 410 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3brw n GLY 410 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79